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 Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= -0.27 USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0.00437 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 K(o=0,f=-0.82) 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 86:sc= 0.0558 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 116 N SER A 9 -8.430 -11.974 1.357 1.00 0.00 N ATOM 117 CA SER A 9 -9.049 -12.895 2.295 1.00 0.00 C ATOM 118 C SER A 9 -10.331 -12.281 2.862 1.00 0.00 C ATOM 119 O SER A 9 -10.597 -11.097 2.664 1.00 0.00 O ATOM 120 CB SER A 9 -8.087 -13.255 3.429 1.00 0.00 C ATOM 121 OG SER A 9 -7.621 -14.598 3.327 1.00 0.00 O ATOM 0 HA SER A 9 -9.298 -13.812 1.761 1.00 0.00 H new ATOM 0 HB2 SER A 9 -7.236 -12.574 3.413 1.00 0.00 H new ATOM 0 HB3 SER A 9 -8.588 -13.117 4.387 1.00 0.00 H new ATOM 0 HG SER A 9 -7.008 -14.789 4.068 1.00 0.00 H new ATOM 127 N GLY A 10 -11.092 -13.115 3.555 1.00 0.00 N ATOM 128 CA GLY A 10 -12.339 -12.670 4.152 1.00 0.00 C ATOM 129 C GLY A 10 -12.078 -11.778 5.367 1.00 0.00 C ATOM 130 O GLY A 10 -11.668 -10.628 5.221 1.00 0.00 O ATOM 0 H GLY A 10 -10.869 -14.097 3.716 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -12.925 -12.122 3.414 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -12.932 -13.534 4.452 1.00 0.00 H new ATOM 134 N ARG A 11 -12.327 -12.342 6.540 1.00 0.00 N ATOM 135 CA ARG A 11 -12.124 -11.612 7.780 1.00 0.00 C ATOM 136 C ARG A 11 -10.634 -11.550 8.121 1.00 0.00 C ATOM 137 O ARG A 11 -10.077 -10.467 8.291 1.00 0.00 O ATOM 138 CB ARG A 11 -12.878 -12.271 8.937 1.00 0.00 C ATOM 139 CG ARG A 11 -14.302 -11.722 9.047 1.00 0.00 C ATOM 140 CD ARG A 11 -14.740 -11.625 10.509 1.00 0.00 C ATOM 141 NE ARG A 11 -16.213 -11.731 10.604 1.00 0.00 N ATOM 142 CZ ARG A 11 -16.921 -11.464 11.722 1.00 0.00 C ATOM 143 NH1 ARG A 11 -16.295 -11.074 12.853 1.00 0.00 N ATOM 144 NH2 ARG A 11 -18.234 -11.592 11.694 1.00 0.00 N ATOM 0 H ARG A 11 -12.668 -13.296 6.658 1.00 0.00 H new ATOM 0 HA ARG A 11 -12.510 -10.603 7.638 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -12.911 -13.350 8.786 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -12.344 -12.096 9.871 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -14.353 -10.737 8.582 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -14.988 -12.369 8.500 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -14.272 -12.419 11.091 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -14.407 -10.679 10.935 1.00 0.00 H new ATOM 0 HE ARG A 11 -16.726 -12.024 9.772 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -15.280 -10.979 12.867 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -16.838 -10.874 13.693 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -18.699 -11.889 10.836 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -18.784 -11.394 12.530 1.00 0.00 H new ATOM 158 N ALA A 12 -10.030 -12.726 8.211 1.00 0.00 N ATOM 159 CA ALA A 12 -8.615 -12.819 8.529 1.00 0.00 C ATOM 160 C ALA A 12 -7.852 -11.741 7.758 1.00 0.00 C ATOM 161 O ALA A 12 -6.911 -11.147 8.281 1.00 0.00 O ATOM 162 CB ALA A 12 -8.112 -14.229 8.213 1.00 0.00 C ATOM 0 H ALA A 12 -10.495 -13.623 8.069 1.00 0.00 H new ATOM 0 HA ALA A 12 -8.448 -12.644 9.592 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -7.051 -14.299 8.452 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -8.666 -14.955 8.808 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -8.260 -14.439 7.154 1.00 0.00 H new ATOM 168 N ALA A 13 -8.286 -11.521 6.525 1.00 0.00 N ATOM 169 CA ALA A 13 -7.655 -10.525 5.676 1.00 0.00 C ATOM 170 C ALA A 13 -7.359 -9.271 6.501 1.00 0.00 C ATOM 171 O ALA A 13 -6.213 -8.834 6.582 1.00 0.00 O ATOM 172 CB ALA A 13 -8.556 -10.233 4.475 1.00 0.00 C ATOM 0 H ALA A 13 -9.067 -12.016 6.094 1.00 0.00 H new ATOM 0 HA ALA A 13 -6.706 -10.897 5.289 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -8.083 -9.486 3.838 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -8.711 -11.149 3.905 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -9.517 -9.856 4.824 1.00 0.00 H new ATOM 178 N VAL A 14 -8.413 -8.729 7.093 1.00 0.00 N ATOM 179 CA VAL A 14 -8.281 -7.534 7.909 1.00 0.00 C ATOM 180 C VAL A 14 -7.080 -7.691 8.843 1.00 0.00 C ATOM 181 O VAL A 14 -6.253 -6.786 8.954 1.00 0.00 O ATOM 182 CB VAL A 14 -9.588 -7.263 8.656 1.00 0.00 C ATOM 183 CG1 VAL A 14 -9.426 -6.106 9.644 1.00 0.00 C ATOM 184 CG2 VAL A 14 -10.733 -6.992 7.678 1.00 0.00 C ATOM 0 H VAL A 14 -9.362 -9.095 7.024 1.00 0.00 H new ATOM 0 HA VAL A 14 -8.094 -6.662 7.282 1.00 0.00 H new ATOM 0 HB VAL A 14 -9.839 -8.158 9.226 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -10.370 -5.935 10.161 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -8.653 -6.354 10.372 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -9.139 -5.204 9.104 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -11.650 -6.802 8.235 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -10.492 -6.121 7.068 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -10.873 -7.859 7.033 1.00 0.00 H new ATOM 194 N ALA A 15 -7.021 -8.844 9.492 1.00 0.00 N ATOM 195 CA ALA A 15 -5.935 -9.131 10.413 1.00 0.00 C ATOM 196 C ALA A 15 -4.598 -8.927 9.698 1.00 0.00 C ATOM 197 O ALA A 15 -3.685 -8.310 10.244 1.00 0.00 O ATOM 198 CB ALA A 15 -6.092 -10.550 10.963 1.00 0.00 C ATOM 0 H ALA A 15 -7.709 -9.591 9.398 1.00 0.00 H new ATOM 0 HA ALA A 15 -5.962 -8.448 11.262 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.277 -10.765 11.654 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -7.044 -10.634 11.488 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -6.067 -11.264 10.140 1.00 0.00 H new ATOM 204 N ALA A 16 -4.525 -9.458 8.486 1.00 0.00 N ATOM 205 CA ALA A 16 -3.315 -9.343 7.690 1.00 0.00 C ATOM 206 C ALA A 16 -3.036 -7.865 7.405 1.00 0.00 C ATOM 207 O ALA A 16 -1.883 -7.465 7.257 1.00 0.00 O ATOM 208 CB ALA A 16 -3.466 -10.165 6.409 1.00 0.00 C ATOM 0 H ALA A 16 -5.284 -9.969 8.036 1.00 0.00 H new ATOM 0 HA ALA A 16 -2.459 -9.742 8.234 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -2.558 -10.079 5.812 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -3.633 -11.211 6.666 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -4.314 -9.792 5.835 1.00 0.00 H new ATOM 214 N VAL A 17 -4.112 -7.095 7.337 1.00 0.00 N ATOM 215 CA VAL A 17 -3.998 -5.671 7.073 1.00 0.00 C ATOM 216 C VAL A 17 -3.637 -4.944 8.370 1.00 0.00 C ATOM 217 O VAL A 17 -3.137 -3.820 8.336 1.00 0.00 O ATOM 218 CB VAL A 17 -5.289 -5.152 6.436 1.00 0.00 C ATOM 219 CG1 VAL A 17 -5.263 -3.627 6.311 1.00 0.00 C ATOM 220 CG2 VAL A 17 -5.532 -5.810 5.076 1.00 0.00 C ATOM 0 H VAL A 17 -5.067 -7.431 7.460 1.00 0.00 H new ATOM 0 HA VAL A 17 -3.198 -5.478 6.358 1.00 0.00 H new ATOM 0 HB VAL A 17 -6.118 -5.421 7.091 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -6.192 -3.283 5.855 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -5.158 -3.183 7.301 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.421 -3.327 5.688 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -6.456 -5.424 4.645 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.699 -5.586 4.410 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -5.615 -6.889 5.204 1.00 0.00 H new ATOM 230 N VAL A 18 -3.903 -5.614 9.481 1.00 0.00 N ATOM 231 CA VAL A 18 -3.612 -5.045 10.786 1.00 0.00 C ATOM 232 C VAL A 18 -2.108 -5.137 11.054 1.00 0.00 C ATOM 233 O VAL A 18 -1.465 -4.132 11.353 1.00 0.00 O ATOM 234 CB VAL A 18 -4.453 -5.739 11.859 1.00 0.00 C ATOM 235 CG1 VAL A 18 -3.919 -5.432 13.259 1.00 0.00 C ATOM 236 CG2 VAL A 18 -5.928 -5.349 11.737 1.00 0.00 C ATOM 0 H VAL A 18 -4.317 -6.546 9.505 1.00 0.00 H new ATOM 0 HA VAL A 18 -3.883 -3.990 10.811 1.00 0.00 H new ATOM 0 HB VAL A 18 -4.376 -6.815 11.700 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.535 -5.938 14.002 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.890 -5.783 13.341 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.950 -4.356 13.433 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -6.504 -5.856 12.511 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -6.030 -4.270 11.856 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -6.302 -5.642 10.756 1.00 0.00 H new ATOM 246 N GLY A 19 -1.591 -6.351 10.936 1.00 0.00 N ATOM 247 CA GLY A 19 -0.176 -6.587 11.161 1.00 0.00 C ATOM 248 C GLY A 19 0.679 -5.674 10.280 1.00 0.00 C ATOM 249 O GLY A 19 0.646 -5.780 9.055 1.00 0.00 O ATOM 0 H GLY A 19 -2.128 -7.182 10.687 1.00 0.00 H new ATOM 0 HA2 GLY A 19 0.063 -6.414 12.210 1.00 0.00 H new ATOM 0 HA3 GLY A 19 0.061 -7.629 10.948 1.00 0.00 H new ATOM 253 N GLY A 20 1.426 -4.799 10.937 1.00 0.00 N ATOM 254 CA GLY A 20 2.288 -3.869 10.229 1.00 0.00 C ATOM 255 C GLY A 20 1.909 -2.421 10.544 1.00 0.00 C ATOM 256 O GLY A 20 1.967 -1.556 9.671 1.00 0.00 O ATOM 0 H GLY A 20 1.452 -4.715 11.953 1.00 0.00 H new ATOM 0 HA2 GLY A 20 3.327 -4.046 10.508 1.00 0.00 H new ATOM 0 HA3 GLY A 20 2.213 -4.043 9.156 1.00 0.00 H new ATOM 260 N VAL A 21 1.529 -2.201 11.794 1.00 0.00 N ATOM 261 CA VAL A 21 1.140 -0.872 12.235 1.00 0.00 C ATOM 262 C VAL A 21 2.249 0.122 11.884 1.00 0.00 C ATOM 263 O VAL A 21 2.002 1.121 11.210 1.00 0.00 O ATOM 264 CB VAL A 21 0.806 -0.893 13.728 1.00 0.00 C ATOM 265 CG1 VAL A 21 -0.423 -1.763 14.002 1.00 0.00 C ATOM 266 CG2 VAL A 21 2.006 -1.364 14.551 1.00 0.00 C ATOM 0 H VAL A 21 1.482 -2.921 12.515 1.00 0.00 H new ATOM 0 HA VAL A 21 0.237 -0.547 11.718 1.00 0.00 H new ATOM 0 HB VAL A 21 0.570 0.126 14.034 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -0.639 -1.761 15.070 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.279 -1.365 13.458 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.227 -2.784 13.673 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.742 -1.370 15.609 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.287 -2.371 14.242 1.00 0.00 H new ATOM 0 HG23 VAL A 21 2.845 -0.688 14.390 1.00 0.00 H new ATOM 276 N VAL A 22 3.447 -0.187 12.357 1.00 0.00 N ATOM 277 CA VAL A 22 4.595 0.667 12.102 1.00 0.00 C ATOM 278 C VAL A 22 4.664 0.988 10.608 1.00 0.00 C ATOM 279 O VAL A 22 4.796 2.150 10.225 1.00 0.00 O ATOM 280 CB VAL A 22 5.868 0.004 12.631 1.00 0.00 C ATOM 281 CG1 VAL A 22 7.114 0.761 12.167 1.00 0.00 C ATOM 282 CG2 VAL A 22 5.833 -0.112 14.156 1.00 0.00 C ATOM 0 H VAL A 22 3.648 -1.017 12.915 1.00 0.00 H new ATOM 0 HA VAL A 22 4.493 1.613 12.633 1.00 0.00 H new ATOM 0 HB VAL A 22 5.916 -1.004 12.220 1.00 0.00 H new ATOM 0 HG11 VAL A 22 8.005 0.269 12.557 1.00 0.00 H new ATOM 0 HG12 VAL A 22 7.151 0.768 11.078 1.00 0.00 H new ATOM 0 HG13 VAL A 22 7.075 1.786 12.535 1.00 0.00 H new ATOM 0 HG21 VAL A 22 6.750 -0.587 14.506 1.00 0.00 H new ATOM 0 HG22 VAL A 22 5.749 0.882 14.595 1.00 0.00 H new ATOM 0 HG23 VAL A 22 4.975 -0.714 14.455 1.00 0.00 H new ATOM 292 N ALA A 23 4.573 -0.061 9.805 1.00 0.00 N ATOM 293 CA ALA A 23 4.624 0.094 8.361 1.00 0.00 C ATOM 294 C ALA A 23 3.572 1.116 7.925 1.00 0.00 C ATOM 295 O ALA A 23 3.815 1.916 7.024 1.00 0.00 O ATOM 296 CB ALA A 23 4.426 -1.268 7.693 1.00 0.00 C ATOM 0 H ALA A 23 4.464 -1.023 10.127 1.00 0.00 H new ATOM 0 HA ALA A 23 5.599 0.470 8.050 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.464 -1.151 6.610 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.215 -1.948 8.013 1.00 0.00 H new ATOM 0 HB3 ALA A 23 3.457 -1.676 7.980 1.00 0.00 H new ATOM 302 N VAL A 24 2.425 1.055 8.586 1.00 0.00 N ATOM 303 CA VAL A 24 1.334 1.965 8.278 1.00 0.00 C ATOM 304 C VAL A 24 1.736 3.387 8.672 1.00 0.00 C ATOM 305 O VAL A 24 1.336 4.352 8.022 1.00 0.00 O ATOM 306 CB VAL A 24 0.050 1.494 8.964 1.00 0.00 C ATOM 307 CG1 VAL A 24 -1.139 2.368 8.560 1.00 0.00 C ATOM 308 CG2 VAL A 24 -0.224 0.020 8.662 1.00 0.00 C ATOM 0 H VAL A 24 2.227 0.390 9.333 1.00 0.00 H new ATOM 0 HA VAL A 24 1.131 1.970 7.207 1.00 0.00 H new ATOM 0 HB VAL A 24 0.189 1.594 10.041 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -2.039 2.012 9.061 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.946 3.401 8.850 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -1.280 2.314 7.480 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -1.142 -0.289 9.162 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.332 -0.117 7.586 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.607 -0.586 9.023 1.00 0.00 H new ATOM 318 N GLY A 25 2.522 3.473 9.735 1.00 0.00 N ATOM 319 CA GLY A 25 2.982 4.761 10.224 1.00 0.00 C ATOM 320 C GLY A 25 3.980 5.392 9.251 1.00 0.00 C ATOM 321 O GLY A 25 3.879 6.576 8.932 1.00 0.00 O ATOM 0 H GLY A 25 2.852 2.671 10.272 1.00 0.00 H new ATOM 0 HA2 GLY A 25 2.130 5.428 10.360 1.00 0.00 H new ATOM 0 HA3 GLY A 25 3.450 4.637 11.201 1.00 0.00 H new ATOM 325 N THR A 26 4.922 4.573 8.805 1.00 0.00 N ATOM 326 CA THR A 26 5.937 5.036 7.875 1.00 0.00 C ATOM 327 C THR A 26 5.289 5.531 6.581 1.00 0.00 C ATOM 328 O THR A 26 5.536 6.656 6.148 1.00 0.00 O ATOM 329 CB THR A 26 6.935 3.896 7.658 1.00 0.00 C ATOM 330 OG1 THR A 26 7.694 3.866 8.863 1.00 0.00 O ATOM 331 CG2 THR A 26 7.966 4.219 6.575 1.00 0.00 C ATOM 0 H THR A 26 5.003 3.592 9.071 1.00 0.00 H new ATOM 0 HA THR A 26 6.481 5.891 8.277 1.00 0.00 H new ATOM 0 HB THR A 26 6.396 2.988 7.386 1.00 0.00 H new ATOM 0 HG1 THR A 26 8.365 3.154 8.809 1.00 0.00 H new ATOM 0 HG21 THR A 26 8.650 3.378 6.461 1.00 0.00 H new ATOM 0 HG22 THR A 26 7.455 4.402 5.630 1.00 0.00 H new ATOM 0 HG23 THR A 26 8.529 5.107 6.862 1.00 0.00 H new ATOM 339 N VAL A 27 4.471 4.666 5.998 1.00 0.00 N ATOM 340 CA VAL A 27 3.785 5.001 4.762 1.00 0.00 C ATOM 341 C VAL A 27 3.013 6.308 4.950 1.00 0.00 C ATOM 342 O VAL A 27 3.103 7.211 4.119 1.00 0.00 O ATOM 343 CB VAL A 27 2.893 3.837 4.326 1.00 0.00 C ATOM 344 CG1 VAL A 27 3.726 2.587 4.033 1.00 0.00 C ATOM 345 CG2 VAL A 27 1.820 3.546 5.377 1.00 0.00 C ATOM 0 H VAL A 27 4.268 3.734 6.359 1.00 0.00 H new ATOM 0 HA VAL A 27 4.504 5.161 3.958 1.00 0.00 H new ATOM 0 HB VAL A 27 2.390 4.128 3.404 1.00 0.00 H new ATOM 0 HG11 VAL A 27 3.067 1.775 3.725 1.00 0.00 H new ATOM 0 HG12 VAL A 27 4.435 2.802 3.234 1.00 0.00 H new ATOM 0 HG13 VAL A 27 4.269 2.293 4.931 1.00 0.00 H new ATOM 0 HG21 VAL A 27 1.199 2.715 5.043 1.00 0.00 H new ATOM 0 HG22 VAL A 27 2.297 3.286 6.322 1.00 0.00 H new ATOM 0 HG23 VAL A 27 1.198 4.430 5.516 1.00 0.00 H new ATOM 355 N LEU A 28 2.272 6.368 6.046 1.00 0.00 N ATOM 356 CA LEU A 28 1.484 7.549 6.354 1.00 0.00 C ATOM 357 C LEU A 28 2.387 8.784 6.308 1.00 0.00 C ATOM 358 O LEU A 28 2.022 9.803 5.723 1.00 0.00 O ATOM 359 CB LEU A 28 0.751 7.373 7.685 1.00 0.00 C ATOM 360 CG LEU A 28 -0.758 7.136 7.593 1.00 0.00 C ATOM 361 CD1 LEU A 28 -1.484 8.401 7.133 1.00 0.00 C ATOM 362 CD2 LEU A 28 -1.071 5.936 6.696 1.00 0.00 C ATOM 0 H LEU A 28 2.201 5.617 6.733 1.00 0.00 H new ATOM 0 HA LEU A 28 0.705 7.693 5.605 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.199 6.533 8.216 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.923 8.262 8.292 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.128 6.897 8.590 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.555 8.206 7.076 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.299 9.206 7.845 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.116 8.695 6.150 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.150 5.789 6.648 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.685 6.120 5.694 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.602 5.042 7.107 1.00 0.00 H new ATOM 374 N VAL A 29 3.547 8.653 6.934 1.00 0.00 N ATOM 375 CA VAL A 29 4.504 9.746 6.972 1.00 0.00 C ATOM 376 C VAL A 29 4.902 10.120 5.542 1.00 0.00 C ATOM 377 O VAL A 29 5.101 11.294 5.236 1.00 0.00 O ATOM 378 CB VAL A 29 5.701 9.363 7.845 1.00 0.00 C ATOM 379 CG1 VAL A 29 6.828 10.390 7.711 1.00 0.00 C ATOM 380 CG2 VAL A 29 5.282 9.196 9.306 1.00 0.00 C ATOM 0 H VAL A 29 3.846 7.807 7.419 1.00 0.00 H new ATOM 0 HA VAL A 29 4.057 10.630 7.427 1.00 0.00 H new ATOM 0 HB VAL A 29 6.079 8.403 7.493 1.00 0.00 H new ATOM 0 HG11 VAL A 29 7.667 10.094 8.341 1.00 0.00 H new ATOM 0 HG12 VAL A 29 7.154 10.438 6.672 1.00 0.00 H new ATOM 0 HG13 VAL A 29 6.467 11.370 8.024 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.151 8.924 9.905 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.866 10.134 9.675 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.529 8.411 9.381 1.00 0.00 H new ATOM 390 N ALA A 30 5.007 9.098 4.705 1.00 0.00 N ATOM 391 CA ALA A 30 5.377 9.305 3.315 1.00 0.00 C ATOM 392 C ALA A 30 4.253 10.055 2.598 1.00 0.00 C ATOM 393 O ALA A 30 4.507 10.828 1.676 1.00 0.00 O ATOM 394 CB ALA A 30 5.686 7.955 2.663 1.00 0.00 C ATOM 0 H ALA A 30 4.842 8.125 4.963 1.00 0.00 H new ATOM 0 HA ALA A 30 6.277 9.916 3.244 1.00 0.00 H new ATOM 0 HB1 ALA A 30 5.964 8.110 1.620 1.00 0.00 H new ATOM 0 HB2 ALA A 30 6.511 7.476 3.191 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.804 7.317 2.713 1.00 0.00 H new ATOM 400 N LEU A 31 3.033 9.800 3.049 1.00 0.00 N ATOM 401 CA LEU A 31 1.869 10.442 2.462 1.00 0.00 C ATOM 402 C LEU A 31 1.872 11.927 2.829 1.00 0.00 C ATOM 403 O LEU A 31 1.720 12.785 1.961 1.00 0.00 O ATOM 404 CB LEU A 31 0.590 9.709 2.872 1.00 0.00 C ATOM 405 CG LEU A 31 -0.044 8.818 1.802 1.00 0.00 C ATOM 406 CD1 LEU A 31 -0.521 9.648 0.609 1.00 0.00 C ATOM 407 CD2 LEU A 31 0.915 7.704 1.378 1.00 0.00 C ATOM 0 H LEU A 31 2.826 9.158 3.814 1.00 0.00 H new ATOM 0 HA LEU A 31 1.908 10.382 1.374 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.811 9.094 3.744 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.146 10.450 3.183 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.923 8.340 2.233 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.967 8.990 -0.137 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.263 10.373 0.944 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.327 10.173 0.169 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.440 7.085 0.617 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.826 8.143 0.972 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.163 7.089 2.243 1.00 0.00 H new ATOM 419 N SER A 32 2.045 12.185 4.117 1.00 0.00 N ATOM 420 CA SER A 32 2.069 13.552 4.610 1.00 0.00 C ATOM 421 C SER A 32 3.242 14.312 3.988 1.00 0.00 C ATOM 422 O SER A 32 3.048 15.338 3.339 1.00 0.00 O ATOM 423 CB SER A 32 2.165 13.586 6.137 1.00 0.00 C ATOM 424 OG SER A 32 3.185 12.720 6.627 1.00 0.00 O ATOM 0 H SER A 32 2.170 11.471 4.834 1.00 0.00 H new ATOM 0 HA SER A 32 1.136 14.036 4.321 1.00 0.00 H new ATOM 0 HB2 SER A 32 2.367 14.606 6.465 1.00 0.00 H new ATOM 0 HB3 SER A 32 1.206 13.297 6.567 1.00 0.00 H new ATOM 0 HG SER A 32 3.216 12.771 7.605 1.00 0.00 H new ATOM 430 N ALA A 33 4.435 13.778 4.208 1.00 0.00 N ATOM 431 CA ALA A 33 5.640 14.393 3.678 1.00 0.00 C ATOM 432 C ALA A 33 5.399 14.806 2.224 1.00 0.00 C ATOM 433 O ALA A 33 5.715 15.928 1.833 1.00 0.00 O ATOM 434 CB ALA A 33 6.814 13.424 3.822 1.00 0.00 C ATOM 0 H ALA A 33 4.593 12.926 4.746 1.00 0.00 H new ATOM 0 HA ALA A 33 5.890 15.293 4.239 1.00 0.00 H new ATOM 0 HB1 ALA A 33 7.718 13.886 3.424 1.00 0.00 H new ATOM 0 HB2 ALA A 33 6.962 13.185 4.875 1.00 0.00 H new ATOM 0 HB3 ALA A 33 6.601 12.509 3.269 1.00 0.00 H new ATOM 440 N MET A 34 4.841 13.875 1.463 1.00 0.00 N ATOM 441 CA MET A 34 4.554 14.128 0.062 1.00 0.00 C ATOM 442 C MET A 34 3.175 14.769 -0.109 1.00 0.00 C ATOM 443 O MET A 34 2.381 14.331 -0.939 1.00 0.00 O ATOM 444 CB MET A 34 4.604 12.811 -0.715 1.00 0.00 C ATOM 445 CG MET A 34 5.134 13.031 -2.134 1.00 0.00 C ATOM 446 SD MET A 34 4.628 11.685 -3.191 1.00 0.00 S ATOM 447 CE MET A 34 4.284 12.584 -4.694 1.00 0.00 C ATOM 0 H MET A 34 4.580 12.945 1.791 1.00 0.00 H new ATOM 0 HA MET A 34 5.305 14.818 -0.324 1.00 0.00 H new ATOM 0 HB2 MET A 34 5.242 12.099 -0.191 1.00 0.00 H new ATOM 0 HB3 MET A 34 3.607 12.373 -0.759 1.00 0.00 H new ATOM 0 HG2 MET A 34 4.759 13.975 -2.529 1.00 0.00 H new ATOM 0 HG3 MET A 34 6.222 13.102 -2.118 1.00 0.00 H new ATOM 0 HE1 MET A 34 3.953 11.889 -5.466 1.00 0.00 H new ATOM 0 HE2 MET A 34 3.501 13.319 -4.507 1.00 0.00 H new ATOM 0 HE3 MET A 34 5.188 13.094 -5.028 1.00 0.00 H new ATOM 457 N GLY A 35 2.933 15.797 0.691 1.00 0.00 N ATOM 458 CA GLY A 35 1.664 16.503 0.639 1.00 0.00 C ATOM 459 C GLY A 35 1.856 17.997 0.910 1.00 0.00 C ATOM 460 O GLY A 35 1.909 18.799 -0.021 1.00 0.00 O ATOM 0 H GLY A 35 3.594 16.158 1.379 1.00 0.00 H new ATOM 0 HA2 GLY A 35 1.206 16.363 -0.340 1.00 0.00 H new ATOM 0 HA3 GLY A 35 0.979 16.081 1.374 1.00 0.00 H new ATOM 464 N PHE A 36 1.956 18.325 2.190 1.00 0.00 N ATOM 465 CA PHE A 36 2.141 19.708 2.595 1.00 0.00 C ATOM 466 C PHE A 36 2.247 19.824 4.117 1.00 0.00 C ATOM 467 O PHE A 36 1.723 20.766 4.710 1.00 0.00 O ATOM 468 CB PHE A 36 0.909 20.482 2.121 1.00 0.00 C ATOM 469 CG PHE A 36 1.233 21.822 1.457 1.00 0.00 C ATOM 470 CD1 PHE A 36 1.739 22.843 2.199 1.00 0.00 C ATOM 471 CD2 PHE A 36 1.014 21.991 0.126 1.00 0.00 C ATOM 472 CE1 PHE A 36 2.040 24.087 1.582 1.00 0.00 C ATOM 473 CE2 PHE A 36 1.314 23.234 -0.491 1.00 0.00 C ATOM 474 CZ PHE A 36 1.821 24.256 0.251 1.00 0.00 C ATOM 0 H PHE A 36 1.912 17.657 2.960 1.00 0.00 H new ATOM 0 HA PHE A 36 3.060 20.102 2.162 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.353 19.864 1.416 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.254 20.660 2.974 1.00 0.00 H new ATOM 0 HD1 PHE A 36 1.912 22.708 3.257 1.00 0.00 H new ATOM 0 HD2 PHE A 36 0.612 21.179 -0.462 1.00 0.00 H new ATOM 0 HE1 PHE A 36 2.443 24.898 2.170 1.00 0.00 H new ATOM 0 HE2 PHE A 36 1.140 23.368 -1.548 1.00 0.00 H new ATOM 0 HZ PHE A 36 2.049 25.202 -0.218 1.00 0.00 H new ATOM 484 N THR A 37 2.927 18.852 4.707 1.00 0.00 N ATOM 485 CA THR A 37 3.109 18.833 6.148 1.00 0.00 C ATOM 486 C THR A 37 1.755 18.732 6.855 1.00 0.00 C ATOM 487 O THR A 37 0.709 18.856 6.220 1.00 0.00 O ATOM 488 CB THR A 37 3.908 20.078 6.541 1.00 0.00 C ATOM 489 OG1 THR A 37 5.192 19.862 5.964 1.00 0.00 O ATOM 490 CG2 THR A 37 4.181 20.148 8.044 1.00 0.00 C ATOM 0 H THR A 37 3.359 18.071 4.213 1.00 0.00 H new ATOM 0 HA THR A 37 3.672 17.955 6.464 1.00 0.00 H new ATOM 0 HB THR A 37 3.366 20.971 6.229 1.00 0.00 H new ATOM 0 HG1 THR A 37 5.775 20.623 6.168 1.00 0.00 H new ATOM 0 HG21 THR A 37 4.751 21.050 8.269 1.00 0.00 H new ATOM 0 HG22 THR A 37 3.235 20.172 8.585 1.00 0.00 H new ATOM 0 HG23 THR A 37 4.752 19.272 8.351 1.00 0.00 H new ATOM 498 N SER A 38 1.820 18.507 8.159 1.00 0.00 N ATOM 499 CA SER A 38 0.613 18.388 8.958 1.00 0.00 C ATOM 500 C SER A 38 0.780 19.149 10.275 1.00 0.00 C ATOM 501 O SER A 38 0.490 20.342 10.347 1.00 0.00 O ATOM 502 CB SER A 38 0.276 16.920 9.232 1.00 0.00 C ATOM 503 OG SER A 38 1.444 16.105 9.282 1.00 0.00 O ATOM 0 H SER A 38 2.690 18.404 8.682 1.00 0.00 H new ATOM 0 HA SER A 38 -0.213 18.824 8.396 1.00 0.00 H new ATOM 0 HB2 SER A 38 -0.262 16.842 10.177 1.00 0.00 H new ATOM 0 HB3 SER A 38 -0.391 16.550 8.454 1.00 0.00 H new ATOM 0 HG SER A 38 1.187 15.176 9.460 1.00 0.00 H new ATOM 509 N VAL A 39 1.246 18.427 11.284 1.00 0.00 N ATOM 510 CA VAL A 39 1.455 19.020 12.594 1.00 0.00 C ATOM 511 C VAL A 39 0.233 19.861 12.969 1.00 0.00 C ATOM 512 O VAL A 39 -0.872 19.605 12.492 1.00 0.00 O ATOM 513 CB VAL A 39 2.758 19.821 12.604 1.00 0.00 C ATOM 514 CG1 VAL A 39 3.929 18.969 12.111 1.00 0.00 C ATOM 515 CG2 VAL A 39 2.623 21.099 11.774 1.00 0.00 C ATOM 0 H VAL A 39 1.485 17.437 11.221 1.00 0.00 H new ATOM 0 HA VAL A 39 1.561 18.244 13.352 1.00 0.00 H new ATOM 0 HB VAL A 39 2.965 20.111 13.634 1.00 0.00 H new ATOM 0 HG11 VAL A 39 4.843 19.562 12.128 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.047 18.102 12.761 1.00 0.00 H new ATOM 0 HG13 VAL A 39 3.732 18.635 11.092 1.00 0.00 H new ATOM 0 HG21 VAL A 39 3.563 21.650 11.798 1.00 0.00 H new ATOM 0 HG22 VAL A 39 2.381 20.840 10.743 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.829 21.720 12.188 1.00 0.00 H new ATOM 525 N GLY A 40 0.472 20.848 13.820 1.00 0.00 N ATOM 526 CA GLY A 40 -0.595 21.728 14.265 1.00 0.00 C ATOM 527 C GLY A 40 -1.547 22.059 13.114 1.00 0.00 C ATOM 528 O GLY A 40 -2.762 21.919 13.249 1.00 0.00 O ATOM 0 H GLY A 40 1.389 21.058 14.213 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.149 21.253 15.075 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.169 22.648 14.666 1.00 0.00 H new ATOM 532 N ILE A 41 -0.960 22.493 12.009 1.00 0.00 N ATOM 533 CA ILE A 41 -1.741 22.846 10.835 1.00 0.00 C ATOM 534 C ILE A 41 -2.787 21.759 10.579 1.00 0.00 C ATOM 535 O ILE A 41 -3.976 22.053 10.457 1.00 0.00 O ATOM 536 CB ILE A 41 -0.823 23.110 9.640 1.00 0.00 C ATOM 537 CG1 ILE A 41 0.134 24.268 9.929 1.00 0.00 C ATOM 538 CG2 ILE A 41 -1.637 23.343 8.365 1.00 0.00 C ATOM 539 CD1 ILE A 41 1.580 23.875 9.620 1.00 0.00 C ATOM 0 H ILE A 41 0.048 22.608 11.901 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.282 23.777 11.003 1.00 0.00 H new ATOM 0 HB ILE A 41 -0.213 22.222 9.475 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.147 25.135 9.330 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.049 24.562 10.975 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -0.961 23.528 7.530 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.242 22.461 8.153 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -2.289 24.206 8.502 1.00 0.00 H new ATOM 0 HD11 ILE A 41 2.239 24.716 9.834 1.00 0.00 H new ATOM 0 HD12 ILE A 41 1.866 23.024 10.238 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.667 23.605 8.568 1.00 0.00 H new ATOM 551 N ALA A 42 -2.308 20.526 10.505 1.00 0.00 N ATOM 552 CA ALA A 42 -3.187 19.394 10.266 1.00 0.00 C ATOM 553 C ALA A 42 -4.242 19.330 11.372 1.00 0.00 C ATOM 554 O ALA A 42 -5.400 19.006 11.113 1.00 0.00 O ATOM 555 CB ALA A 42 -2.356 18.113 10.177 1.00 0.00 C ATOM 0 H ALA A 42 -1.322 20.286 10.606 1.00 0.00 H new ATOM 0 HA ALA A 42 -3.712 19.509 9.317 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -3.015 17.264 9.998 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -1.643 18.198 9.357 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -1.817 17.963 11.113 1.00 0.00 H new ATOM 561 N ALA A 43 -3.803 19.645 12.583 1.00 0.00 N ATOM 562 CA ALA A 43 -4.695 19.627 13.730 1.00 0.00 C ATOM 563 C ALA A 43 -5.803 20.662 13.525 1.00 0.00 C ATOM 564 O ALA A 43 -6.913 20.496 14.027 1.00 0.00 O ATOM 565 CB ALA A 43 -3.891 19.879 15.006 1.00 0.00 C ATOM 0 H ALA A 43 -2.842 19.914 12.794 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.170 18.651 13.832 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -4.560 19.866 15.866 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -3.137 19.100 15.121 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.402 20.851 14.942 1.00 0.00 H new ATOM 571 N SER A 44 -5.463 21.708 12.786 1.00 0.00 N ATOM 572 CA SER A 44 -6.415 22.770 12.509 1.00 0.00 C ATOM 573 C SER A 44 -7.437 22.299 11.473 1.00 0.00 C ATOM 574 O SER A 44 -8.641 22.336 11.722 1.00 0.00 O ATOM 575 CB SER A 44 -5.704 24.032 12.017 1.00 0.00 C ATOM 576 OG SER A 44 -5.938 25.146 12.875 1.00 0.00 O ATOM 0 H SER A 44 -4.541 21.843 12.371 1.00 0.00 H new ATOM 0 HA SER A 44 -6.933 23.015 13.436 1.00 0.00 H new ATOM 0 HB2 SER A 44 -4.632 23.843 11.953 1.00 0.00 H new ATOM 0 HB3 SER A 44 -6.046 24.272 11.010 1.00 0.00 H new ATOM 0 HG SER A 44 -5.466 25.931 12.528 1.00 0.00 H new ATOM 582 N SER A 45 -6.920 21.866 10.332 1.00 0.00 N ATOM 583 CA SER A 45 -7.773 21.388 9.257 1.00 0.00 C ATOM 584 C SER A 45 -8.781 20.373 9.800 1.00 0.00 C ATOM 585 O SER A 45 -9.947 20.382 9.411 1.00 0.00 O ATOM 586 CB SER A 45 -6.944 20.764 8.133 1.00 0.00 C ATOM 587 OG SER A 45 -7.726 20.517 6.967 1.00 0.00 O ATOM 0 H SER A 45 -5.921 21.836 10.129 1.00 0.00 H new ATOM 0 HA SER A 45 -8.313 22.240 8.844 1.00 0.00 H new ATOM 0 HB2 SER A 45 -6.117 21.428 7.881 1.00 0.00 H new ATOM 0 HB3 SER A 45 -6.507 19.828 8.481 1.00 0.00 H new ATOM 0 HG SER A 45 -7.161 20.120 6.272 1.00 0.00 H new ATOM 593 N ILE A 46 -8.293 19.523 10.692 1.00 0.00 N ATOM 594 CA ILE A 46 -9.137 18.504 11.293 1.00 0.00 C ATOM 595 C ILE A 46 -10.166 19.173 12.206 1.00 0.00 C ATOM 596 O ILE A 46 -11.370 18.994 12.028 1.00 0.00 O ATOM 597 CB ILE A 46 -8.282 17.449 11.999 1.00 0.00 C ATOM 598 CG1 ILE A 46 -7.400 16.699 10.998 1.00 0.00 C ATOM 599 CG2 ILE A 46 -9.154 16.497 12.820 1.00 0.00 C ATOM 600 CD1 ILE A 46 -8.227 15.715 10.168 1.00 0.00 C ATOM 0 H ILE A 46 -7.325 19.519 11.013 1.00 0.00 H new ATOM 0 HA ILE A 46 -9.694 17.968 10.524 1.00 0.00 H new ATOM 0 HB ILE A 46 -7.617 17.958 12.696 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -6.906 17.412 10.338 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -6.615 16.161 11.531 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -8.522 15.757 13.311 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -9.702 17.064 13.573 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -9.860 15.991 12.161 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -7.576 15.195 9.465 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -8.700 14.989 10.829 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -8.995 16.259 9.618 1.00 0.00 H new ATOM 612 N ALA A 47 -9.654 19.931 13.166 1.00 0.00 N ATOM 613 CA ALA A 47 -10.514 20.628 14.107 1.00 0.00 C ATOM 614 C ALA A 47 -11.692 21.248 13.353 1.00 0.00 C ATOM 615 O ALA A 47 -12.849 20.975 13.669 1.00 0.00 O ATOM 616 CB ALA A 47 -9.696 21.671 14.870 1.00 0.00 C ATOM 0 H ALA A 47 -8.655 20.077 13.312 1.00 0.00 H new ATOM 0 HA ALA A 47 -10.922 19.933 14.841 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -10.341 22.194 15.576 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -8.891 21.176 15.412 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -9.273 22.387 14.166 1.00 0.00 H new ATOM 622 N ALA A 48 -11.357 22.071 12.371 1.00 0.00 N ATOM 623 CA ALA A 48 -12.373 22.732 11.569 1.00 0.00 C ATOM 624 C ALA A 48 -13.506 21.747 11.277 1.00 0.00 C ATOM 625 O ALA A 48 -14.627 21.926 11.751 1.00 0.00 O ATOM 626 CB ALA A 48 -11.736 23.284 10.292 1.00 0.00 C ATOM 0 H ALA A 48 -10.396 22.296 12.112 1.00 0.00 H new ATOM 0 HA ALA A 48 -12.801 23.576 12.110 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -12.498 23.780 9.690 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -10.957 24.000 10.554 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -11.298 22.465 9.721 1.00 0.00 H new ATOM 632 N LYS A 49 -13.176 20.728 10.497 1.00 0.00 N ATOM 633 CA LYS A 49 -14.152 19.715 10.135 1.00 0.00 C ATOM 634 C LYS A 49 -15.316 20.375 9.394 1.00 0.00 C ATOM 635 O LYS A 49 -16.473 20.216 9.780 1.00 0.00 O ATOM 636 CB LYS A 49 -14.582 18.920 11.370 1.00 0.00 C ATOM 637 CG LYS A 49 -14.400 17.417 11.146 1.00 0.00 C ATOM 638 CD LYS A 49 -14.980 16.615 12.312 1.00 0.00 C ATOM 639 CE LYS A 49 -16.448 16.267 12.062 1.00 0.00 C ATOM 640 NZ LYS A 49 -16.560 14.989 11.325 1.00 0.00 N ATOM 0 H LYS A 49 -12.245 20.582 10.106 1.00 0.00 H new ATOM 0 HA LYS A 49 -13.711 18.988 9.453 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -13.996 19.236 12.233 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -15.626 19.133 11.599 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -14.890 17.122 10.218 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -13.340 17.188 11.034 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -14.404 15.700 12.450 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -14.891 17.190 13.234 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -16.977 16.193 13.012 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -16.925 17.065 11.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -17.563 14.768 11.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -16.072 15.072 10.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -16.123 14.227 11.882 1.00 0.00 H new ATOM 823 N ALA A 64 -11.163 9.354 -2.990 1.00 0.00 N ATOM 824 CA ALA A 64 -11.566 10.658 -3.487 1.00 0.00 C ATOM 825 C ALA A 64 -10.506 11.694 -3.106 1.00 0.00 C ATOM 826 O ALA A 64 -10.393 12.072 -1.941 1.00 0.00 O ATOM 827 CB ALA A 64 -12.949 11.010 -2.937 1.00 0.00 C ATOM 0 HA ALA A 64 -11.641 10.647 -4.574 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -13.251 11.989 -3.310 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -13.671 10.260 -3.260 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -12.912 11.033 -1.848 1.00 0.00 H new ATOM 833 N GLY A 65 -9.756 12.123 -4.111 1.00 0.00 N ATOM 834 CA GLY A 65 -8.709 13.108 -3.895 1.00 0.00 C ATOM 835 C GLY A 65 -7.445 12.744 -4.677 1.00 0.00 C ATOM 836 O GLY A 65 -7.282 11.602 -5.104 1.00 0.00 O ATOM 0 H GLY A 65 -9.852 11.807 -5.076 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -9.061 14.092 -4.204 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -8.478 13.171 -2.832 1.00 0.00 H new ATOM 840 N SER A 66 -6.583 13.737 -4.841 1.00 0.00 N ATOM 841 CA SER A 66 -5.339 13.536 -5.564 1.00 0.00 C ATOM 842 C SER A 66 -4.627 12.285 -5.043 1.00 0.00 C ATOM 843 O SER A 66 -3.889 11.634 -5.781 1.00 0.00 O ATOM 844 CB SER A 66 -4.426 14.757 -5.439 1.00 0.00 C ATOM 845 OG SER A 66 -3.549 14.884 -6.555 1.00 0.00 O ATOM 0 H SER A 66 -6.722 14.683 -4.486 1.00 0.00 H new ATOM 0 HA SER A 66 -5.575 13.399 -6.619 1.00 0.00 H new ATOM 0 HB2 SER A 66 -5.034 15.657 -5.352 1.00 0.00 H new ATOM 0 HB3 SER A 66 -3.839 14.679 -4.524 1.00 0.00 H new ATOM 0 HG SER A 66 -2.984 15.676 -6.438 1.00 0.00 H new ATOM 851 N LEU A 67 -4.874 11.987 -3.776 1.00 0.00 N ATOM 852 CA LEU A 67 -4.266 10.827 -3.148 1.00 0.00 C ATOM 853 C LEU A 67 -4.469 9.603 -4.043 1.00 0.00 C ATOM 854 O LEU A 67 -3.559 8.792 -4.209 1.00 0.00 O ATOM 855 CB LEU A 67 -4.802 10.645 -1.726 1.00 0.00 C ATOM 856 CG LEU A 67 -4.061 11.409 -0.627 1.00 0.00 C ATOM 857 CD1 LEU A 67 -4.691 12.784 -0.396 1.00 0.00 C ATOM 858 CD2 LEU A 67 -3.991 10.587 0.661 1.00 0.00 C ATOM 0 H LEU A 67 -5.487 12.529 -3.167 1.00 0.00 H new ATOM 0 HA LEU A 67 -3.191 10.971 -3.043 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -5.848 10.951 -1.711 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -4.777 9.583 -1.483 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.036 11.575 -0.958 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.146 13.307 0.390 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.645 13.365 -1.317 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -5.732 12.662 -0.096 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.459 11.153 1.426 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -5.001 10.368 1.008 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.463 9.653 0.468 1.00 0.00 H new ATOM 870 N VAL A 68 -5.669 9.507 -4.597 1.00 0.00 N ATOM 871 CA VAL A 68 -6.003 8.396 -5.471 1.00 0.00 C ATOM 872 C VAL A 68 -4.829 8.121 -6.412 1.00 0.00 C ATOM 873 O VAL A 68 -4.524 6.968 -6.711 1.00 0.00 O ATOM 874 CB VAL A 68 -7.309 8.689 -6.214 1.00 0.00 C ATOM 875 CG1 VAL A 68 -8.464 8.892 -5.232 1.00 0.00 C ATOM 876 CG2 VAL A 68 -7.154 9.898 -7.138 1.00 0.00 C ATOM 0 H VAL A 68 -6.422 10.181 -4.457 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.171 7.490 -4.889 1.00 0.00 H new ATOM 0 HB VAL A 68 -7.545 7.823 -6.833 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -9.380 9.099 -5.785 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.597 7.990 -4.635 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -8.240 9.732 -4.575 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -8.096 10.085 -7.654 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -6.883 10.774 -6.549 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -6.372 9.698 -7.871 1.00 0.00 H new ATOM 886 N ALA A 69 -4.200 9.201 -6.853 1.00 0.00 N ATOM 887 CA ALA A 69 -3.066 9.092 -7.754 1.00 0.00 C ATOM 888 C ALA A 69 -2.022 8.156 -7.141 1.00 0.00 C ATOM 889 O ALA A 69 -1.610 7.182 -7.769 1.00 0.00 O ATOM 890 CB ALA A 69 -2.503 10.486 -8.040 1.00 0.00 C ATOM 0 H ALA A 69 -4.455 10.156 -6.602 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.374 8.664 -8.708 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -1.652 10.403 -8.716 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.275 11.102 -8.502 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.181 10.947 -7.106 1.00 0.00 H new ATOM 896 N ILE A 70 -1.623 8.485 -5.921 1.00 0.00 N ATOM 897 CA ILE A 70 -0.635 7.687 -5.216 1.00 0.00 C ATOM 898 C ILE A 70 -1.257 6.345 -4.821 1.00 0.00 C ATOM 899 O ILE A 70 -0.548 5.354 -4.653 1.00 0.00 O ATOM 900 CB ILE A 70 -0.058 8.469 -4.034 1.00 0.00 C ATOM 901 CG1 ILE A 70 -0.835 8.173 -2.749 1.00 0.00 C ATOM 902 CG2 ILE A 70 -0.007 9.967 -4.340 1.00 0.00 C ATOM 903 CD1 ILE A 70 -0.352 6.872 -2.104 1.00 0.00 C ATOM 0 H ILE A 70 -1.966 9.294 -5.403 1.00 0.00 H new ATOM 0 HA ILE A 70 0.212 7.468 -5.867 1.00 0.00 H new ATOM 0 HB ILE A 70 0.968 8.138 -3.874 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -0.713 8.998 -2.047 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -1.899 8.099 -2.972 1.00 0.00 H new ATOM 0 HG21 ILE A 70 0.407 10.499 -3.484 1.00 0.00 H new ATOM 0 HG22 ILE A 70 0.623 10.139 -5.213 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -1.014 10.332 -4.542 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -0.920 6.685 -1.193 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -0.498 6.045 -2.799 1.00 0.00 H new ATOM 0 HD13 ILE A 70 0.707 6.958 -1.860 1.00 0.00 H new ATOM 915 N LEU A 71 -2.575 6.358 -4.684 1.00 0.00 N ATOM 916 CA LEU A 71 -3.300 5.155 -4.312 1.00 0.00 C ATOM 917 C LEU A 71 -2.965 4.037 -5.301 1.00 0.00 C ATOM 918 O LEU A 71 -2.449 2.991 -4.910 1.00 0.00 O ATOM 919 CB LEU A 71 -4.797 5.446 -4.197 1.00 0.00 C ATOM 920 CG LEU A 71 -5.620 4.428 -3.405 1.00 0.00 C ATOM 921 CD1 LEU A 71 -5.467 4.652 -1.899 1.00 0.00 C ATOM 922 CD2 LEU A 71 -7.086 4.449 -3.841 1.00 0.00 C ATOM 0 H LEU A 71 -3.159 7.182 -4.824 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.989 4.812 -3.325 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.922 6.424 -3.733 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.212 5.515 -5.203 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.233 3.433 -3.624 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.062 3.915 -1.359 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -4.419 4.546 -1.620 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -5.811 5.654 -1.643 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.648 3.716 -3.262 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.502 5.442 -3.671 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.154 4.204 -4.901 1.00 0.00 H new ATOM 934 N GLN A 72 -3.273 4.295 -6.564 1.00 0.00 N ATOM 935 CA GLN A 72 -3.011 3.323 -7.612 1.00 0.00 C ATOM 936 C GLN A 72 -1.509 3.229 -7.885 1.00 0.00 C ATOM 937 O GLN A 72 -0.962 2.133 -7.998 1.00 0.00 O ATOM 938 CB GLN A 72 -3.780 3.672 -8.887 1.00 0.00 C ATOM 939 CG GLN A 72 -4.643 2.495 -9.346 1.00 0.00 C ATOM 940 CD GLN A 72 -5.383 2.830 -10.643 1.00 0.00 C ATOM 941 OE1 GLN A 72 -4.992 3.701 -11.403 1.00 0.00 O ATOM 942 NE2 GLN A 72 -6.470 2.093 -10.852 1.00 0.00 N ATOM 0 H GLN A 72 -3.702 5.163 -6.885 1.00 0.00 H new ATOM 0 HA GLN A 72 -3.360 2.348 -7.272 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -4.411 4.543 -8.709 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -3.079 3.943 -9.676 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -4.015 1.617 -9.498 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -5.363 2.242 -8.568 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -6.741 1.380 -10.175 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -7.033 2.241 -11.690 1.00 0.00 H new ATOM 951 N SER A 73 -0.884 4.394 -7.984 1.00 0.00 N ATOM 952 CA SER A 73 0.545 4.457 -8.243 1.00 0.00 C ATOM 953 C SER A 73 1.298 3.588 -7.233 1.00 0.00 C ATOM 954 O SER A 73 1.819 2.531 -7.585 1.00 0.00 O ATOM 955 CB SER A 73 1.052 5.899 -8.185 1.00 0.00 C ATOM 956 OG SER A 73 2.299 6.053 -8.856 1.00 0.00 O ATOM 0 H SER A 73 -1.341 5.301 -7.890 1.00 0.00 H new ATOM 0 HA SER A 73 0.728 4.077 -9.248 1.00 0.00 H new ATOM 0 HB2 SER A 73 0.313 6.562 -8.636 1.00 0.00 H new ATOM 0 HB3 SER A 73 1.160 6.204 -7.144 1.00 0.00 H new ATOM 0 HG SER A 73 2.588 6.988 -8.798 1.00 0.00 H new ATOM 962 N VAL A 74 1.331 4.067 -5.998 1.00 0.00 N ATOM 963 CA VAL A 74 2.012 3.347 -4.935 1.00 0.00 C ATOM 964 C VAL A 74 1.327 1.996 -4.719 1.00 0.00 C ATOM 965 O VAL A 74 1.967 1.031 -4.305 1.00 0.00 O ATOM 966 CB VAL A 74 2.056 4.204 -3.668 1.00 0.00 C ATOM 967 CG1 VAL A 74 2.629 3.413 -2.491 1.00 0.00 C ATOM 968 CG2 VAL A 74 2.851 5.490 -3.903 1.00 0.00 C ATOM 0 H VAL A 74 0.898 4.944 -5.710 1.00 0.00 H new ATOM 0 HA VAL A 74 3.047 3.146 -5.212 1.00 0.00 H new ATOM 0 HB VAL A 74 1.033 4.484 -3.417 1.00 0.00 H new ATOM 0 HG11 VAL A 74 2.649 4.045 -1.603 1.00 0.00 H new ATOM 0 HG12 VAL A 74 2.005 2.540 -2.301 1.00 0.00 H new ATOM 0 HG13 VAL A 74 3.642 3.089 -2.729 1.00 0.00 H new ATOM 0 HG21 VAL A 74 2.867 6.081 -2.987 1.00 0.00 H new ATOM 0 HG22 VAL A 74 3.872 5.239 -4.191 1.00 0.00 H new ATOM 0 HG23 VAL A 74 2.381 6.068 -4.699 1.00 0.00 H new ATOM 978 N GLY A 75 0.035 1.971 -5.011 1.00 0.00 N ATOM 979 CA GLY A 75 -0.744 0.754 -4.854 1.00 0.00 C ATOM 980 C GLY A 75 -0.133 -0.395 -5.659 1.00 0.00 C ATOM 981 O GLY A 75 0.433 -1.326 -5.088 1.00 0.00 O ATOM 0 H GLY A 75 -0.492 2.774 -5.355 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -0.790 0.480 -3.800 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -1.769 0.929 -5.183 1.00 0.00 H new ATOM 985 N ALA A 76 -0.269 -0.292 -6.973 1.00 0.00 N ATOM 986 CA ALA A 76 0.262 -1.311 -7.863 1.00 0.00 C ATOM 987 C ALA A 76 1.791 -1.272 -7.821 1.00 0.00 C ATOM 988 O ALA A 76 2.432 -2.266 -7.483 1.00 0.00 O ATOM 989 CB ALA A 76 -0.289 -1.095 -9.274 1.00 0.00 C ATOM 0 H ALA A 76 -0.739 0.482 -7.443 1.00 0.00 H new ATOM 0 HA ALA A 76 -0.051 -2.304 -7.540 1.00 0.00 H new ATOM 0 HB1 ALA A 76 0.109 -1.859 -9.941 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -1.377 -1.162 -9.254 1.00 0.00 H new ATOM 0 HB3 ALA A 76 0.007 -0.110 -9.633 1.00 0.00 H new ATOM 995 N ALA A 77 2.331 -0.113 -8.169 1.00 0.00 N ATOM 996 CA ALA A 77 3.772 0.068 -8.176 1.00 0.00 C ATOM 997 C ALA A 77 4.361 -0.509 -6.887 1.00 0.00 C ATOM 998 O ALA A 77 5.134 -1.465 -6.928 1.00 0.00 O ATOM 999 CB ALA A 77 4.099 1.553 -8.352 1.00 0.00 C ATOM 0 H ALA A 77 1.796 0.710 -8.448 1.00 0.00 H new ATOM 0 HA ALA A 77 4.222 -0.467 -9.012 1.00 0.00 H new ATOM 0 HB1 ALA A 77 5.180 1.689 -8.357 1.00 0.00 H new ATOM 0 HB2 ALA A 77 3.684 1.908 -9.295 1.00 0.00 H new ATOM 0 HB3 ALA A 77 3.666 2.121 -7.529 1.00 0.00 H new ATOM 1005 N GLY A 78 3.972 0.096 -5.774 1.00 0.00 N ATOM 1006 CA GLY A 78 4.452 -0.347 -4.476 1.00 0.00 C ATOM 1007 C GLY A 78 4.327 -1.865 -4.333 1.00 0.00 C ATOM 1008 O GLY A 78 5.332 -2.572 -4.287 1.00 0.00 O ATOM 0 H GLY A 78 3.331 0.888 -5.744 1.00 0.00 H new ATOM 0 HA2 GLY A 78 5.493 -0.051 -4.349 1.00 0.00 H new ATOM 0 HA3 GLY A 78 3.883 0.144 -3.687 1.00 0.00 H new ATOM 1012 N LEU A 79 3.084 -2.320 -4.268 1.00 0.00 N ATOM 1013 CA LEU A 79 2.815 -3.742 -4.131 1.00 0.00 C ATOM 1014 C LEU A 79 3.765 -4.526 -5.039 1.00 0.00 C ATOM 1015 O LEU A 79 4.177 -5.635 -4.702 1.00 0.00 O ATOM 1016 CB LEU A 79 1.336 -4.034 -4.390 1.00 0.00 C ATOM 1017 CG LEU A 79 0.793 -5.333 -3.790 1.00 0.00 C ATOM 1018 CD1 LEU A 79 -0.735 -5.371 -3.856 1.00 0.00 C ATOM 1019 CD2 LEU A 79 1.427 -6.553 -4.461 1.00 0.00 C ATOM 0 H LEU A 79 2.253 -1.730 -4.308 1.00 0.00 H new ATOM 0 HA LEU A 79 3.007 -4.070 -3.109 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.748 -3.203 -3.999 1.00 0.00 H new ATOM 0 HB3 LEU A 79 1.175 -4.060 -5.468 1.00 0.00 H new ATOM 0 HG LEU A 79 1.070 -5.365 -2.736 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -1.095 -6.304 -3.423 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.144 -4.530 -3.296 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -1.056 -5.306 -4.896 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.024 -7.463 -4.016 1.00 0.00 H new ATOM 0 HD22 LEU A 79 1.202 -6.540 -5.527 1.00 0.00 H new ATOM 0 HD23 LEU A 79 2.507 -6.527 -4.318 1.00 0.00 H new ATOM 1031 N SER A 80 4.084 -3.920 -6.173 1.00 0.00 N ATOM 1032 CA SER A 80 4.977 -4.547 -7.132 1.00 0.00 C ATOM 1033 C SER A 80 6.373 -4.699 -6.525 1.00 0.00 C ATOM 1034 O SER A 80 6.771 -5.799 -6.143 1.00 0.00 O ATOM 1035 CB SER A 80 5.047 -3.740 -8.429 1.00 0.00 C ATOM 1036 OG SER A 80 4.875 -4.562 -9.580 1.00 0.00 O ATOM 0 H SER A 80 3.740 -3.001 -6.449 1.00 0.00 H new ATOM 0 HA SER A 80 4.583 -5.534 -7.372 1.00 0.00 H new ATOM 0 HB2 SER A 80 4.278 -2.968 -8.417 1.00 0.00 H new ATOM 0 HB3 SER A 80 6.009 -3.231 -8.488 1.00 0.00 H new ATOM 0 HG SER A 80 4.925 -4.009 -10.387 1.00 0.00 H new ATOM 1042 N VAL A 81 7.078 -3.580 -6.454 1.00 0.00 N ATOM 1043 CA VAL A 81 8.421 -3.575 -5.900 1.00 0.00 C ATOM 1044 C VAL A 81 8.442 -4.409 -4.617 1.00 0.00 C ATOM 1045 O VAL A 81 9.475 -4.968 -4.253 1.00 0.00 O ATOM 1046 CB VAL A 81 8.893 -2.135 -5.684 1.00 0.00 C ATOM 1047 CG1 VAL A 81 8.178 -1.497 -4.492 1.00 0.00 C ATOM 1048 CG2 VAL A 81 10.412 -2.077 -5.509 1.00 0.00 C ATOM 0 H VAL A 81 6.744 -2.670 -6.771 1.00 0.00 H new ATOM 0 HA VAL A 81 9.123 -4.032 -6.597 1.00 0.00 H new ATOM 0 HB VAL A 81 8.637 -1.561 -6.574 1.00 0.00 H new ATOM 0 HG11 VAL A 81 8.532 -0.474 -4.360 1.00 0.00 H new ATOM 0 HG12 VAL A 81 7.103 -1.489 -4.674 1.00 0.00 H new ATOM 0 HG13 VAL A 81 8.389 -2.073 -3.591 1.00 0.00 H new ATOM 0 HG21 VAL A 81 10.722 -1.043 -5.357 1.00 0.00 H new ATOM 0 HG22 VAL A 81 10.702 -2.673 -4.644 1.00 0.00 H new ATOM 0 HG23 VAL A 81 10.896 -2.473 -6.401 1.00 0.00 H new ATOM 1058 N THR A 82 7.289 -4.466 -3.968 1.00 0.00 N ATOM 1059 CA THR A 82 7.161 -5.222 -2.733 1.00 0.00 C ATOM 1060 C THR A 82 7.324 -6.719 -3.006 1.00 0.00 C ATOM 1061 O THR A 82 8.408 -7.272 -2.830 1.00 0.00 O ATOM 1062 CB THR A 82 5.818 -4.863 -2.095 1.00 0.00 C ATOM 1063 OG1 THR A 82 6.058 -3.608 -1.465 1.00 0.00 O ATOM 1064 CG2 THR A 82 5.451 -5.796 -0.939 1.00 0.00 C ATOM 0 H THR A 82 6.434 -4.001 -4.274 1.00 0.00 H new ATOM 0 HA THR A 82 7.951 -4.964 -2.027 1.00 0.00 H new ATOM 0 HB THR A 82 5.035 -4.898 -2.853 1.00 0.00 H new ATOM 0 HG1 THR A 82 5.919 -2.885 -2.112 1.00 0.00 H new ATOM 0 HG21 THR A 82 4.489 -5.497 -0.522 1.00 0.00 H new ATOM 0 HG22 THR A 82 5.385 -6.821 -1.305 1.00 0.00 H new ATOM 0 HG23 THR A 82 6.217 -5.736 -0.166 1.00 0.00 H new ATOM 1072 N SER A 83 6.229 -7.332 -3.432 1.00 0.00 N ATOM 1073 CA SER A 83 6.236 -8.754 -3.731 1.00 0.00 C ATOM 1074 C SER A 83 7.460 -9.104 -4.579 1.00 0.00 C ATOM 1075 O SER A 83 8.161 -10.074 -4.294 1.00 0.00 O ATOM 1076 CB SER A 83 4.953 -9.172 -4.452 1.00 0.00 C ATOM 1077 OG SER A 83 4.311 -10.268 -3.807 1.00 0.00 O ATOM 0 H SER A 83 5.331 -6.870 -3.577 1.00 0.00 H new ATOM 0 HA SER A 83 6.286 -9.301 -2.790 1.00 0.00 H new ATOM 0 HB2 SER A 83 4.269 -8.325 -4.494 1.00 0.00 H new ATOM 0 HB3 SER A 83 5.188 -9.444 -5.481 1.00 0.00 H new ATOM 0 HG SER A 83 3.495 -10.504 -4.297 1.00 0.00 H new ATOM 1083 N LYS A 84 7.680 -8.296 -5.606 1.00 0.00 N ATOM 1084 CA LYS A 84 8.807 -8.509 -6.498 1.00 0.00 C ATOM 1085 C LYS A 84 10.085 -8.659 -5.671 1.00 0.00 C ATOM 1086 O LYS A 84 10.842 -9.610 -5.858 1.00 0.00 O ATOM 1087 CB LYS A 84 8.879 -7.395 -7.545 1.00 0.00 C ATOM 1088 CG LYS A 84 7.838 -7.609 -8.646 1.00 0.00 C ATOM 1089 CD LYS A 84 8.452 -8.327 -9.849 1.00 0.00 C ATOM 1090 CE LYS A 84 7.547 -8.211 -11.077 1.00 0.00 C ATOM 1091 NZ LYS A 84 8.082 -7.207 -12.023 1.00 0.00 N ATOM 0 H LYS A 84 7.097 -7.493 -5.840 1.00 0.00 H new ATOM 0 HA LYS A 84 8.680 -9.435 -7.059 1.00 0.00 H new ATOM 0 HB2 LYS A 84 8.714 -6.430 -7.066 1.00 0.00 H new ATOM 0 HB3 LYS A 84 9.877 -7.367 -7.983 1.00 0.00 H new ATOM 0 HG2 LYS A 84 7.005 -8.194 -8.255 1.00 0.00 H new ATOM 0 HG3 LYS A 84 7.433 -6.647 -8.960 1.00 0.00 H new ATOM 0 HD2 LYS A 84 9.430 -7.900 -10.072 1.00 0.00 H new ATOM 0 HD3 LYS A 84 8.611 -9.378 -9.608 1.00 0.00 H new ATOM 0 HE2 LYS A 84 7.469 -9.179 -11.571 1.00 0.00 H new ATOM 0 HE3 LYS A 84 6.540 -7.928 -10.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 7.455 -7.141 -12.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 8.134 -6.281 -11.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 9.033 -7.493 -12.331 1.00 0.00 H new ATOM 1105 N VAL A 85 10.286 -7.705 -4.773 1.00 0.00 N ATOM 1106 CA VAL A 85 11.460 -7.719 -3.917 1.00 0.00 C ATOM 1107 C VAL A 85 11.458 -8.999 -3.078 1.00 0.00 C ATOM 1108 O VAL A 85 12.518 -9.523 -2.737 1.00 0.00 O ATOM 1109 CB VAL A 85 11.503 -6.447 -3.067 1.00 0.00 C ATOM 1110 CG1 VAL A 85 12.340 -6.660 -1.804 1.00 0.00 C ATOM 1111 CG2 VAL A 85 12.028 -5.262 -3.880 1.00 0.00 C ATOM 0 H VAL A 85 9.656 -6.918 -4.620 1.00 0.00 H new ATOM 0 HA VAL A 85 12.370 -7.724 -4.516 1.00 0.00 H new ATOM 0 HB VAL A 85 10.484 -6.215 -2.758 1.00 0.00 H new ATOM 0 HG11 VAL A 85 12.354 -5.741 -1.218 1.00 0.00 H new ATOM 0 HG12 VAL A 85 11.904 -7.463 -1.210 1.00 0.00 H new ATOM 0 HG13 VAL A 85 13.359 -6.928 -2.084 1.00 0.00 H new ATOM 0 HG21 VAL A 85 12.048 -4.371 -3.253 1.00 0.00 H new ATOM 0 HG22 VAL A 85 13.036 -5.481 -4.233 1.00 0.00 H new ATOM 0 HG23 VAL A 85 11.374 -5.089 -4.735 1.00 0.00 H new ATOM 1121 N ILE A 86 10.257 -9.465 -2.769 1.00 0.00 N ATOM 1122 CA ILE A 86 10.104 -10.673 -1.977 1.00 0.00 C ATOM 1123 C ILE A 86 10.465 -11.888 -2.833 1.00 0.00 C ATOM 1124 O ILE A 86 11.454 -12.568 -2.566 1.00 0.00 O ATOM 1125 CB ILE A 86 8.701 -10.742 -1.371 1.00 0.00 C ATOM 1126 CG1 ILE A 86 8.479 -9.607 -0.369 1.00 0.00 C ATOM 1127 CG2 ILE A 86 8.439 -12.115 -0.749 1.00 0.00 C ATOM 1128 CD1 ILE A 86 7.009 -9.522 0.046 1.00 0.00 C ATOM 0 H ILE A 86 9.380 -9.027 -3.053 1.00 0.00 H new ATOM 0 HA ILE A 86 10.791 -10.664 -1.131 1.00 0.00 H new ATOM 0 HB ILE A 86 7.976 -10.609 -2.174 1.00 0.00 H new ATOM 0 HG12 ILE A 86 9.101 -9.768 0.512 1.00 0.00 H new ATOM 0 HG13 ILE A 86 8.791 -8.661 -0.811 1.00 0.00 H new ATOM 0 HG21 ILE A 86 7.435 -12.137 -0.326 1.00 0.00 H new ATOM 0 HG22 ILE A 86 8.526 -12.885 -1.516 1.00 0.00 H new ATOM 0 HG23 ILE A 86 9.169 -12.303 0.038 1.00 0.00 H new ATOM 0 HD11 ILE A 86 6.879 -8.707 0.758 1.00 0.00 H new ATOM 0 HD12 ILE A 86 6.393 -9.337 -0.834 1.00 0.00 H new ATOM 0 HD13 ILE A 86 6.707 -10.461 0.509 1.00 0.00 H new ATOM 1140 N GLY A 87 9.643 -12.124 -3.845 1.00 0.00 N ATOM 1141 CA GLY A 87 9.863 -13.246 -4.742 1.00 0.00 C ATOM 1142 C GLY A 87 8.556 -13.990 -5.021 1.00 0.00 C ATOM 1143 O GLY A 87 8.343 -15.090 -4.515 1.00 0.00 O ATOM 0 H GLY A 87 8.824 -11.557 -4.064 1.00 0.00 H new ATOM 0 HA2 GLY A 87 10.289 -12.888 -5.679 1.00 0.00 H new ATOM 0 HA3 GLY A 87 10.589 -13.931 -4.303 1.00 0.00 H new ATOM 1147 N GLY A 88 7.714 -13.359 -5.827 1.00 0.00 N ATOM 1148 CA GLY A 88 6.433 -13.947 -6.180 1.00 0.00 C ATOM 1149 C GLY A 88 5.804 -14.653 -4.977 1.00 0.00 C ATOM 1150 O GLY A 88 6.008 -14.243 -3.836 1.00 0.00 O ATOM 0 H GLY A 88 7.894 -12.446 -6.245 1.00 0.00 H new ATOM 0 HA2 GLY A 88 5.760 -13.170 -6.543 1.00 0.00 H new ATOM 0 HA3 GLY A 88 6.568 -14.659 -6.995 1.00 0.00 H new ATOM 1154 N PHE A 89 5.052 -15.703 -5.275 1.00 0.00 N ATOM 1155 CA PHE A 89 4.392 -16.470 -4.232 1.00 0.00 C ATOM 1156 C PHE A 89 4.851 -17.930 -4.252 1.00 0.00 C ATOM 1157 O PHE A 89 4.160 -18.794 -4.789 1.00 0.00 O ATOM 1158 CB PHE A 89 2.890 -16.416 -4.520 1.00 0.00 C ATOM 1159 CG PHE A 89 2.014 -16.514 -3.270 1.00 0.00 C ATOM 1160 CD1 PHE A 89 1.983 -15.488 -2.378 1.00 0.00 C ATOM 1161 CD2 PHE A 89 1.265 -17.628 -3.051 1.00 0.00 C ATOM 1162 CE1 PHE A 89 1.169 -15.580 -1.218 1.00 0.00 C ATOM 1163 CE2 PHE A 89 0.451 -17.720 -1.890 1.00 0.00 C ATOM 1164 CZ PHE A 89 0.421 -16.694 -0.998 1.00 0.00 C ATOM 0 H PHE A 89 4.885 -16.040 -6.223 1.00 0.00 H new ATOM 0 HA PHE A 89 4.634 -16.054 -3.254 1.00 0.00 H new ATOM 0 HB2 PHE A 89 2.663 -15.484 -5.038 1.00 0.00 H new ATOM 0 HB3 PHE A 89 2.631 -17.229 -5.198 1.00 0.00 H new ATOM 0 HD1 PHE A 89 2.577 -14.603 -2.552 1.00 0.00 H new ATOM 0 HD2 PHE A 89 1.289 -18.443 -3.760 1.00 0.00 H new ATOM 0 HE1 PHE A 89 1.144 -14.765 -0.510 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -0.144 -18.605 -1.716 1.00 0.00 H new ATOM 0 HZ PHE A 89 -0.197 -16.764 -0.115 1.00 0.00 H new ATOM 1174 N ALA A 90 6.014 -18.159 -3.660 1.00 0.00 N ATOM 1175 CA ALA A 90 6.572 -19.499 -3.603 1.00 0.00 C ATOM 1176 C ALA A 90 7.257 -19.704 -2.250 1.00 0.00 C ATOM 1177 O ALA A 90 7.642 -18.739 -1.592 1.00 0.00 O ATOM 1178 CB ALA A 90 7.531 -19.703 -4.777 1.00 0.00 C ATOM 0 H ALA A 90 6.585 -17.440 -3.216 1.00 0.00 H new ATOM 0 HA ALA A 90 5.784 -20.247 -3.691 1.00 0.00 H new ATOM 0 HB1 ALA A 90 7.950 -20.708 -4.734 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.991 -19.575 -5.715 1.00 0.00 H new ATOM 0 HB3 ALA A 90 8.337 -18.972 -4.720 1.00 0.00 H new ATOM 1184 N GLY A 91 7.386 -20.968 -1.874 1.00 0.00 N ATOM 1185 CA GLY A 91 8.017 -21.312 -0.611 1.00 0.00 C ATOM 1186 C GLY A 91 9.215 -20.403 -0.331 1.00 0.00 C ATOM 1187 O GLY A 91 9.191 -19.609 0.608 1.00 0.00 O ATOM 0 H GLY A 91 7.064 -21.766 -2.422 1.00 0.00 H new ATOM 0 HA2 GLY A 91 7.292 -21.223 0.198 1.00 0.00 H new ATOM 0 HA3 GLY A 91 8.343 -22.352 -0.634 1.00 0.00 H new ATOM 1191 N THR A 92 10.236 -20.550 -1.163 1.00 0.00 N ATOM 1192 CA THR A 92 11.441 -19.752 -1.017 1.00 0.00 C ATOM 1193 C THR A 92 11.083 -18.296 -0.714 1.00 0.00 C ATOM 1194 O THR A 92 9.968 -17.857 -0.989 1.00 0.00 O ATOM 1195 CB THR A 92 12.277 -19.921 -2.287 1.00 0.00 C ATOM 1196 OG1 THR A 92 13.424 -19.106 -2.059 1.00 0.00 O ATOM 1197 CG2 THR A 92 11.611 -19.292 -3.513 1.00 0.00 C ATOM 0 H THR A 92 10.253 -21.210 -1.940 1.00 0.00 H new ATOM 0 HA THR A 92 12.039 -20.090 -0.170 1.00 0.00 H new ATOM 0 HB THR A 92 12.449 -20.982 -2.470 1.00 0.00 H new ATOM 0 HG1 THR A 92 14.022 -19.158 -2.834 1.00 0.00 H new ATOM 0 HG21 THR A 92 12.245 -19.440 -4.387 1.00 0.00 H new ATOM 0 HG22 THR A 92 10.643 -19.763 -3.683 1.00 0.00 H new ATOM 0 HG23 THR A 92 11.470 -18.225 -3.343 1.00 0.00 H new