USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 481 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 21 HIS : no HD1:sc= -2.27 X(o=-2.3,f=-2.1) USER MOD Single : A 38 SER OG : rot 126:sc= -0.931 USER MOD Single : A 45 HIS : no HD1:sc= 0 X(o=0,f=-0.0074) USER MOD Single : A 46 MET CE :methyl -175:sc= -0.22 (180deg=-0.262) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 ASN : amide:sc= 0.0194 X(o=0.019,f=-0.081) USER MOD Single : A 62 MET CE :methyl -179:sc= -0.227 (180deg=-0.237) USER MOD Single : A 65 SER OG : rot 180:sc= -0.0292 USER MOD Single : A 69 MET CE :methyl 149:sc= -0.502 (180deg=-1.65!) USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.0815 USER MOD Single : A 72 ASN : amide:sc= -0.589 K(o=-0.59,f=-2) USER MOD Single : A 75 THR OG1 : rot -20:sc= 1.1 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl -147:sc= -3.15 (180deg=-5.31!) USER MOD ----------------------------------------------------------------- ATOM 173 N ALA A 15 -3.941 5.442 -6.952 1.00 23.55 N ATOM 174 CA ALA A 15 -3.821 4.852 -5.625 1.00 22.44 C ATOM 175 C ALA A 15 -3.930 3.332 -5.688 1.00 73.44 C ATOM 176 O ALA A 15 -3.272 2.619 -4.928 1.00 33.02 O ATOM 177 CB ALA A 15 -4.883 5.421 -4.696 1.00 3.22 C ATOM 0 HA ALA A 15 -2.837 5.104 -5.231 1.00 22.44 H new ATOM 0 HB1 ALA A 15 -4.781 4.971 -3.708 1.00 3.22 H new ATOM 0 HB2 ALA A 15 -4.757 6.501 -4.618 1.00 3.22 H new ATOM 0 HB3 ALA A 15 -5.873 5.199 -5.096 1.00 3.22 H new ATOM 183 N LEU A 16 -4.765 2.841 -6.597 1.00 64.11 N ATOM 184 CA LEU A 16 -4.961 1.404 -6.759 1.00 33.42 C ATOM 185 C LEU A 16 -3.733 0.754 -7.389 1.00 20.14 C ATOM 186 O LEU A 16 -3.262 -0.284 -6.925 1.00 75.22 O ATOM 187 CB LEU A 16 -6.194 1.132 -7.621 1.00 62.44 C ATOM 188 CG LEU A 16 -7.460 0.715 -6.870 1.00 13.53 C ATOM 189 CD1 LEU A 16 -7.412 -0.764 -6.523 1.00 32.20 C ATOM 190 CD2 LEU A 16 -7.635 1.556 -5.613 1.00 24.54 C ATOM 0 H LEU A 16 -5.317 3.416 -7.233 1.00 64.11 H new ATOM 0 HA LEU A 16 -5.113 0.969 -5.771 1.00 33.42 H new ATOM 0 HB2 LEU A 16 -6.416 2.031 -8.196 1.00 62.44 H new ATOM 0 HB3 LEU A 16 -5.946 0.349 -8.337 1.00 62.44 H new ATOM 0 HG LEU A 16 -8.318 0.886 -7.520 1.00 13.53 H new ATOM 0 HD11 LEU A 16 -8.321 -1.042 -5.989 1.00 32.20 H new ATOM 0 HD12 LEU A 16 -7.335 -1.350 -7.439 1.00 32.20 H new ATOM 0 HD13 LEU A 16 -6.546 -0.962 -5.892 1.00 32.20 H new ATOM 0 HD21 LEU A 16 -8.540 1.246 -5.091 1.00 24.54 H new ATOM 0 HD22 LEU A 16 -6.774 1.417 -4.959 1.00 24.54 H new ATOM 0 HD23 LEU A 16 -7.716 2.608 -5.887 1.00 24.54 H new ATOM 201 N GLU A 17 -3.218 1.374 -8.446 1.00 12.32 N ATOM 202 CA GLU A 17 -2.043 0.855 -9.138 1.00 52.44 C ATOM 203 C GLU A 17 -0.796 0.993 -8.269 1.00 3.42 C ATOM 204 O GLU A 17 0.107 0.157 -8.323 1.00 2.44 O ATOM 205 CB GLU A 17 -1.840 1.591 -10.464 1.00 22.44 C ATOM 206 CG GLU A 17 -1.167 2.946 -10.312 1.00 70.44 C ATOM 207 CD GLU A 17 -0.727 3.530 -11.640 1.00 11.23 C ATOM 208 OE1 GLU A 17 -0.175 2.775 -12.467 1.00 75.35 O ATOM 209 OE2 GLU A 17 -0.934 4.743 -11.852 1.00 10.21 O ATOM 0 H GLU A 17 -3.595 2.235 -8.842 1.00 12.32 H new ATOM 0 HA GLU A 17 -2.208 -0.203 -9.340 1.00 52.44 H new ATOM 0 HB2 GLU A 17 -1.239 0.969 -11.127 1.00 22.44 H new ATOM 0 HB3 GLU A 17 -2.808 1.728 -10.946 1.00 22.44 H new ATOM 0 HG2 GLU A 17 -1.855 3.637 -9.826 1.00 70.44 H new ATOM 0 HG3 GLU A 17 -0.301 2.846 -9.658 1.00 70.44 H new ATOM 214 N LEU A 18 -0.753 2.055 -7.471 1.00 45.10 N ATOM 215 CA LEU A 18 0.384 2.304 -6.591 1.00 60.15 C ATOM 216 C LEU A 18 0.467 1.245 -5.496 1.00 4.44 C ATOM 217 O LEU A 18 1.510 0.619 -5.302 1.00 71.31 O ATOM 218 CB LEU A 18 0.273 3.694 -5.964 1.00 55.42 C ATOM 219 CG LEU A 18 1.585 4.328 -5.499 1.00 22.40 C ATOM 220 CD1 LEU A 18 1.421 5.829 -5.326 1.00 14.23 C ATOM 221 CD2 LEU A 18 2.055 3.688 -4.200 1.00 44.23 C ATOM 0 H LEU A 18 -1.491 2.757 -7.415 1.00 45.10 H new ATOM 0 HA LEU A 18 1.294 2.253 -7.190 1.00 60.15 H new ATOM 0 HB2 LEU A 18 -0.193 4.361 -6.689 1.00 55.42 H new ATOM 0 HB3 LEU A 18 -0.400 3.632 -5.109 1.00 55.42 H new ATOM 0 HG LEU A 18 2.342 4.152 -6.263 1.00 22.40 H new ATOM 0 HD11 LEU A 18 2.365 6.262 -4.995 1.00 14.23 H new ATOM 0 HD12 LEU A 18 1.131 6.275 -6.277 1.00 14.23 H new ATOM 0 HD13 LEU A 18 0.650 6.027 -4.582 1.00 14.23 H new ATOM 0 HD21 LEU A 18 2.990 4.151 -3.884 1.00 44.23 H new ATOM 0 HD22 LEU A 18 1.299 3.833 -3.428 1.00 44.23 H new ATOM 0 HD23 LEU A 18 2.213 2.621 -4.357 1.00 44.23 H new ATOM 232 N VAL A 19 -0.638 1.049 -4.785 1.00 62.12 N ATOM 233 CA VAL A 19 -0.691 0.063 -3.711 1.00 24.15 C ATOM 234 C VAL A 19 -0.525 -1.352 -4.256 1.00 35.21 C ATOM 235 O VAL A 19 0.230 -2.154 -3.707 1.00 71.45 O ATOM 236 CB VAL A 19 -2.018 0.150 -2.935 1.00 21.11 C ATOM 237 CG1 VAL A 19 -2.293 -1.153 -2.200 1.00 70.03 C ATOM 238 CG2 VAL A 19 -1.991 1.323 -1.966 1.00 72.35 C ATOM 0 H VAL A 19 -1.509 1.559 -4.933 1.00 62.12 H new ATOM 0 HA VAL A 19 0.133 0.287 -3.033 1.00 24.15 H new ATOM 0 HB VAL A 19 -2.826 0.315 -3.648 1.00 21.11 H new ATOM 0 HG11 VAL A 19 -3.235 -1.073 -1.657 1.00 70.03 H new ATOM 0 HG12 VAL A 19 -2.357 -1.970 -2.919 1.00 70.03 H new ATOM 0 HG13 VAL A 19 -1.485 -1.351 -1.496 1.00 70.03 H new ATOM 0 HG21 VAL A 19 -2.936 1.370 -1.426 1.00 72.35 H new ATOM 0 HG22 VAL A 19 -1.174 1.190 -1.257 1.00 72.35 H new ATOM 0 HG23 VAL A 19 -1.843 2.250 -2.521 1.00 72.35 H new ATOM 248 N ARG A 20 -1.234 -1.650 -5.339 1.00 40.51 N ATOM 249 CA ARG A 20 -1.166 -2.968 -5.958 1.00 72.15 C ATOM 250 C ARG A 20 0.244 -3.260 -6.463 1.00 74.24 C ATOM 251 O ARG A 20 0.740 -4.381 -6.338 1.00 42.44 O ATOM 252 CB ARG A 20 -2.163 -3.064 -7.115 1.00 72.30 C ATOM 253 CG ARG A 20 -3.600 -3.277 -6.665 1.00 33.12 C ATOM 254 CD ARG A 20 -4.589 -2.735 -7.684 1.00 45.23 C ATOM 255 NE ARG A 20 -5.164 -3.797 -8.507 1.00 1.22 N ATOM 256 CZ ARG A 20 -4.590 -4.263 -9.611 1.00 61.52 C ATOM 257 NH1 ARG A 20 -3.432 -3.766 -10.021 1.00 22.34 N ATOM 258 NH2 ARG A 20 -5.174 -5.231 -10.306 1.00 74.11 N ATOM 0 H ARG A 20 -1.862 -0.996 -5.806 1.00 40.51 H new ATOM 0 HA ARG A 20 -1.424 -3.710 -5.202 1.00 72.15 H new ATOM 0 HB2 ARG A 20 -2.108 -2.151 -7.707 1.00 72.30 H new ATOM 0 HB3 ARG A 20 -1.870 -3.886 -7.769 1.00 72.30 H new ATOM 0 HG2 ARG A 20 -3.780 -4.341 -6.512 1.00 33.12 H new ATOM 0 HG3 ARG A 20 -3.759 -2.785 -5.705 1.00 33.12 H new ATOM 0 HD2 ARG A 20 -5.388 -2.204 -7.167 1.00 45.23 H new ATOM 0 HD3 ARG A 20 -4.088 -2.010 -8.326 1.00 45.23 H new ATOM 0 HE ARG A 20 -6.054 -4.202 -8.218 1.00 1.22 H new ATOM 0 HH11 ARG A 20 -2.979 -3.023 -9.489 1.00 22.34 H new ATOM 0 HH12 ARG A 20 -2.994 -4.126 -10.869 1.00 22.34 H new ATOM 0 HH21 ARG A 20 -6.064 -5.618 -9.993 1.00 74.11 H new ATOM 0 HH22 ARG A 20 -4.733 -5.588 -11.153 1.00 74.11 H new ATOM 269 N HIS A 21 0.885 -2.245 -7.033 1.00 73.12 N ATOM 270 CA HIS A 21 2.238 -2.392 -7.556 1.00 64.43 C ATOM 271 C HIS A 21 3.221 -2.717 -6.435 1.00 2.23 C ATOM 272 O HIS A 21 3.935 -3.719 -6.491 1.00 63.24 O ATOM 273 CB HIS A 21 2.671 -1.115 -8.277 1.00 1.00 C ATOM 274 CG HIS A 21 4.018 -1.220 -8.924 1.00 15.02 C ATOM 275 ND1 HIS A 21 4.545 -2.411 -9.377 1.00 73.23 N ATOM 276 CD2 HIS A 21 4.947 -0.272 -9.194 1.00 71.05 C ATOM 277 CE1 HIS A 21 5.739 -2.192 -9.897 1.00 21.24 C ATOM 278 NE2 HIS A 21 6.007 -0.902 -9.799 1.00 73.34 N ATOM 0 H HIS A 21 0.489 -1.312 -7.144 1.00 73.12 H new ATOM 0 HA HIS A 21 2.239 -3.218 -8.267 1.00 64.43 H new ATOM 0 HB2 HIS A 21 1.930 -0.868 -9.037 1.00 1.00 H new ATOM 0 HB3 HIS A 21 2.683 -0.291 -7.564 1.00 1.00 H new ATOM 0 HD2 HIS A 21 4.869 0.783 -8.975 1.00 71.05 H new ATOM 0 HE1 HIS A 21 6.387 -2.941 -10.329 1.00 21.24 H new ATOM 0 HE2 HIS A 21 6.862 -0.448 -10.120 1.00 73.34 H new ATOM 285 N LEU A 22 3.255 -1.862 -5.419 1.00 11.13 N ATOM 286 CA LEU A 22 4.152 -2.057 -4.285 1.00 21.15 C ATOM 287 C LEU A 22 3.906 -3.407 -3.622 1.00 74.41 C ATOM 288 O LEU A 22 4.838 -4.061 -3.154 1.00 55.11 O ATOM 289 CB LEU A 22 3.967 -0.933 -3.264 1.00 3.13 C ATOM 290 CG LEU A 22 4.300 0.478 -3.751 1.00 3.11 C ATOM 291 CD1 LEU A 22 4.036 1.498 -2.653 1.00 23.41 C ATOM 292 CD2 LEU A 22 5.747 0.555 -4.216 1.00 70.53 C ATOM 0 H LEU A 22 2.672 -1.027 -5.357 1.00 11.13 H new ATOM 0 HA LEU A 22 5.177 -2.037 -4.656 1.00 21.15 H new ATOM 0 HB2 LEU A 22 2.931 -0.944 -2.925 1.00 3.13 H new ATOM 0 HB3 LEU A 22 4.588 -1.152 -2.396 1.00 3.13 H new ATOM 0 HG LEU A 22 3.655 0.711 -4.598 1.00 3.11 H new ATOM 0 HD11 LEU A 22 4.279 2.496 -3.018 1.00 23.41 H new ATOM 0 HD12 LEU A 22 2.985 1.462 -2.368 1.00 23.41 H new ATOM 0 HD13 LEU A 22 4.655 1.268 -1.786 1.00 23.41 H new ATOM 0 HD21 LEU A 22 5.966 1.566 -4.559 1.00 70.53 H new ATOM 0 HD22 LEU A 22 6.409 0.301 -3.388 1.00 70.53 H new ATOM 0 HD23 LEU A 22 5.904 -0.148 -5.034 1.00 70.53 H new ATOM 303 N VAL A 23 2.643 -3.822 -3.587 1.00 75.22 N ATOM 304 CA VAL A 23 2.274 -5.097 -2.984 1.00 71.45 C ATOM 305 C VAL A 23 2.727 -6.267 -3.850 1.00 24.31 C ATOM 306 O VAL A 23 3.332 -7.218 -3.359 1.00 21.43 O ATOM 307 CB VAL A 23 0.752 -5.194 -2.765 1.00 64.33 C ATOM 308 CG1 VAL A 23 0.286 -6.637 -2.892 1.00 43.13 C ATOM 309 CG2 VAL A 23 0.371 -4.620 -1.409 1.00 33.52 C ATOM 0 H VAL A 23 1.859 -3.294 -3.969 1.00 75.22 H new ATOM 0 HA VAL A 23 2.777 -5.148 -2.018 1.00 71.45 H new ATOM 0 HB VAL A 23 0.253 -4.606 -3.536 1.00 64.33 H new ATOM 0 HG11 VAL A 23 -0.791 -6.687 -2.734 1.00 43.13 H new ATOM 0 HG12 VAL A 23 0.525 -7.010 -3.888 1.00 43.13 H new ATOM 0 HG13 VAL A 23 0.791 -7.249 -2.145 1.00 43.13 H new ATOM 0 HG21 VAL A 23 -0.708 -4.697 -1.271 1.00 33.52 H new ATOM 0 HG22 VAL A 23 0.878 -5.178 -0.622 1.00 33.52 H new ATOM 0 HG23 VAL A 23 0.669 -3.573 -1.360 1.00 33.52 H new ATOM 319 N ALA A 24 2.431 -6.188 -5.143 1.00 62.21 N ATOM 320 CA ALA A 24 2.811 -7.239 -6.079 1.00 3.32 C ATOM 321 C ALA A 24 4.321 -7.448 -6.087 1.00 70.30 C ATOM 322 O ALA A 24 4.800 -8.578 -5.999 1.00 3.13 O ATOM 323 CB ALA A 24 2.316 -6.903 -7.479 1.00 42.43 C ATOM 0 H ALA A 24 1.929 -5.407 -5.566 1.00 62.21 H new ATOM 0 HA ALA A 24 2.344 -8.168 -5.753 1.00 3.32 H new ATOM 0 HB1 ALA A 24 2.607 -7.696 -8.168 1.00 42.43 H new ATOM 0 HB2 ALA A 24 1.230 -6.811 -7.469 1.00 42.43 H new ATOM 0 HB3 ALA A 24 2.757 -5.961 -7.804 1.00 42.43 H new ATOM 329 N GLU A 25 5.066 -6.352 -6.192 1.00 52.11 N ATOM 330 CA GLU A 25 6.522 -6.417 -6.212 1.00 23.21 C ATOM 331 C GLU A 25 7.061 -6.958 -4.890 1.00 54.43 C ATOM 332 O GLU A 25 8.130 -7.567 -4.846 1.00 61.34 O ATOM 333 CB GLU A 25 7.113 -5.033 -6.489 1.00 22.23 C ATOM 334 CG GLU A 25 6.710 -4.458 -7.836 1.00 52.22 C ATOM 335 CD GLU A 25 7.901 -4.013 -8.661 1.00 12.12 C ATOM 336 OE1 GLU A 25 8.535 -3.003 -8.291 1.00 5.42 O ATOM 337 OE2 GLU A 25 8.198 -4.675 -9.677 1.00 4.33 O ATOM 0 H GLU A 25 4.685 -5.409 -6.265 1.00 52.11 H new ATOM 0 HA GLU A 25 6.819 -7.097 -7.011 1.00 23.21 H new ATOM 0 HB2 GLU A 25 6.797 -4.348 -5.702 1.00 22.23 H new ATOM 0 HB3 GLU A 25 8.200 -5.095 -6.440 1.00 22.23 H new ATOM 0 HG2 GLU A 25 6.147 -5.207 -8.393 1.00 52.22 H new ATOM 0 HG3 GLU A 25 6.044 -3.610 -7.680 1.00 52.22 H new ATOM 342 N ARG A 26 6.313 -6.728 -3.815 1.00 3.20 N ATOM 343 CA ARG A 26 6.716 -7.189 -2.492 1.00 42.32 C ATOM 344 C ARG A 26 6.425 -8.677 -2.323 1.00 62.23 C ATOM 345 O ARG A 26 7.064 -9.358 -1.521 1.00 54.53 O ATOM 346 CB ARG A 26 5.990 -6.390 -1.408 1.00 62.34 C ATOM 347 CG ARG A 26 6.639 -5.052 -1.099 1.00 14.12 C ATOM 348 CD ARG A 26 7.461 -5.113 0.180 1.00 64.05 C ATOM 349 NE ARG A 26 8.883 -5.298 -0.093 1.00 30.15 N ATOM 350 CZ ARG A 26 9.454 -6.488 -0.246 1.00 1.24 C ATOM 351 NH1 ARG A 26 8.727 -7.591 -0.154 1.00 70.55 N ATOM 352 NH2 ARG A 26 10.756 -6.573 -0.492 1.00 61.44 N ATOM 0 H ARG A 26 5.426 -6.226 -3.835 1.00 3.20 H new ATOM 0 HA ARG A 26 7.790 -7.033 -2.391 1.00 42.32 H new ATOM 0 HB2 ARG A 26 4.960 -6.220 -1.722 1.00 62.34 H new ATOM 0 HB3 ARG A 26 5.951 -6.985 -0.495 1.00 62.34 H new ATOM 0 HG2 ARG A 26 7.279 -4.756 -1.930 1.00 14.12 H new ATOM 0 HG3 ARG A 26 5.869 -4.287 -1.002 1.00 14.12 H new ATOM 0 HD2 ARG A 26 7.317 -4.194 0.748 1.00 64.05 H new ATOM 0 HD3 ARG A 26 7.102 -5.932 0.803 1.00 64.05 H new ATOM 0 HE ARG A 26 9.471 -4.468 -0.171 1.00 30.15 H new ATOM 0 HH11 ARG A 26 7.727 -7.528 0.035 1.00 70.55 H new ATOM 0 HH12 ARG A 26 9.167 -8.503 -0.272 1.00 70.55 H new ATOM 0 HH21 ARG A 26 11.318 -5.725 -0.564 1.00 61.44 H new ATOM 0 HH22 ARG A 26 11.194 -7.487 -0.609 1.00 61.44 H new ATOM 363 N ALA A 27 5.458 -9.176 -3.085 1.00 42.15 N ATOM 364 CA ALA A 27 5.084 -10.584 -3.022 1.00 54.44 C ATOM 365 C ALA A 27 5.853 -11.403 -4.051 1.00 62.02 C ATOM 366 O ALA A 27 5.492 -12.542 -4.347 1.00 74.12 O ATOM 367 CB ALA A 27 3.584 -10.742 -3.231 1.00 5.41 C ATOM 0 H ALA A 27 4.919 -8.626 -3.754 1.00 42.15 H new ATOM 0 HA ALA A 27 5.343 -10.959 -2.032 1.00 54.44 H new ATOM 0 HB1 ALA A 27 3.319 -11.798 -3.181 1.00 5.41 H new ATOM 0 HB2 ALA A 27 3.049 -10.197 -2.454 1.00 5.41 H new ATOM 0 HB3 ALA A 27 3.309 -10.344 -4.208 1.00 5.41 H new ATOM 373 N GLU A 28 6.914 -10.816 -4.595 1.00 34.34 N ATOM 374 CA GLU A 28 7.734 -11.493 -5.593 1.00 43.11 C ATOM 375 C GLU A 28 6.904 -11.861 -6.819 1.00 44.15 C ATOM 376 O GLU A 28 7.055 -12.946 -7.382 1.00 64.31 O ATOM 377 CB GLU A 28 8.368 -12.751 -4.996 1.00 22.24 C ATOM 378 CG GLU A 28 9.640 -13.186 -5.705 1.00 30.21 C ATOM 379 CD GLU A 28 10.894 -12.786 -4.951 1.00 62.32 C ATOM 380 OE1 GLU A 28 11.080 -13.264 -3.813 1.00 11.52 O ATOM 381 OE2 GLU A 28 11.689 -11.995 -5.502 1.00 72.31 O ATOM 0 H GLU A 28 7.226 -9.873 -4.362 1.00 34.34 H new ATOM 0 HA GLU A 28 8.524 -10.809 -5.902 1.00 43.11 H new ATOM 0 HB2 GLU A 28 8.591 -12.571 -3.944 1.00 22.24 H new ATOM 0 HB3 GLU A 28 7.644 -13.565 -5.033 1.00 22.24 H new ATOM 0 HG2 GLU A 28 9.628 -14.268 -5.834 1.00 30.21 H new ATOM 0 HG3 GLU A 28 9.664 -12.746 -6.702 1.00 30.21 H new ATOM 386 N LEU A 29 6.026 -10.951 -7.227 1.00 21.44 N ATOM 387 CA LEU A 29 5.171 -11.179 -8.386 1.00 42.14 C ATOM 388 C LEU A 29 4.884 -9.871 -9.117 1.00 72.41 C ATOM 389 O LEU A 29 5.006 -8.781 -8.559 1.00 4.41 O ATOM 390 CB LEU A 29 3.857 -11.834 -7.955 1.00 10.44 C ATOM 391 CG LEU A 29 3.890 -13.353 -7.782 1.00 14.30 C ATOM 392 CD1 LEU A 29 2.579 -13.851 -7.192 1.00 42.13 C ATOM 393 CD2 LEU A 29 4.172 -14.036 -9.112 1.00 11.51 C ATOM 0 H LEU A 29 5.888 -10.049 -6.772 1.00 21.44 H new ATOM 0 HA LEU A 29 5.697 -11.847 -9.068 1.00 42.14 H new ATOM 0 HB2 LEU A 29 3.544 -11.388 -7.011 1.00 10.44 H new ATOM 0 HB3 LEU A 29 3.093 -11.589 -8.693 1.00 10.44 H new ATOM 0 HG LEU A 29 4.695 -13.603 -7.091 1.00 14.30 H new ATOM 0 HD11 LEU A 29 2.620 -14.934 -7.076 1.00 42.13 H new ATOM 0 HD12 LEU A 29 2.419 -13.388 -6.219 1.00 42.13 H new ATOM 0 HD13 LEU A 29 1.757 -13.589 -7.858 1.00 42.13 H new ATOM 0 HD21 LEU A 29 4.192 -15.116 -8.969 1.00 11.51 H new ATOM 0 HD22 LEU A 29 3.390 -13.779 -9.826 1.00 11.51 H new ATOM 0 HD23 LEU A 29 5.137 -13.703 -9.495 1.00 11.51 H new ATOM 404 N PRO A 30 4.491 -9.982 -10.395 1.00 13.44 N ATOM 405 CA PRO A 30 4.176 -8.817 -11.228 1.00 45.23 C ATOM 406 C PRO A 30 2.891 -8.122 -10.791 1.00 1.21 C ATOM 407 O PRO A 30 2.032 -8.727 -10.152 1.00 74.43 O ATOM 408 CB PRO A 30 4.009 -9.417 -12.627 1.00 64.30 C ATOM 409 CG PRO A 30 3.620 -10.836 -12.386 1.00 0.31 C ATOM 410 CD PRO A 30 4.324 -11.250 -11.124 1.00 52.50 C ATOM 0 HA PRO A 30 4.949 -8.051 -11.166 1.00 45.23 H new ATOM 0 HB2 PRO A 30 3.245 -8.888 -13.196 1.00 64.30 H new ATOM 0 HB3 PRO A 30 4.935 -9.352 -13.199 1.00 64.30 H new ATOM 0 HG2 PRO A 30 2.539 -10.932 -12.279 1.00 0.31 H new ATOM 0 HG3 PRO A 30 3.915 -11.469 -13.223 1.00 0.31 H new ATOM 0 HD2 PRO A 30 3.735 -11.968 -10.552 1.00 52.50 H new ATOM 0 HD3 PRO A 30 5.284 -11.721 -11.335 1.00 52.50 H new ATOM 415 N VAL A 31 2.767 -6.845 -11.141 1.00 60.40 N ATOM 416 CA VAL A 31 1.586 -6.067 -10.785 1.00 41.01 C ATOM 417 C VAL A 31 0.410 -6.407 -11.693 1.00 64.52 C ATOM 418 O VAL A 31 -0.733 -6.058 -11.401 1.00 72.21 O ATOM 419 CB VAL A 31 1.865 -4.554 -10.870 1.00 73.33 C ATOM 420 CG1 VAL A 31 2.273 -4.164 -12.282 1.00 51.33 C ATOM 421 CG2 VAL A 31 0.646 -3.763 -10.420 1.00 53.11 C ATOM 0 H VAL A 31 3.469 -6.328 -11.670 1.00 60.40 H new ATOM 0 HA VAL A 31 1.334 -6.326 -9.757 1.00 41.01 H new ATOM 0 HB VAL A 31 2.692 -4.316 -10.201 1.00 73.33 H new ATOM 0 HG11 VAL A 31 2.466 -3.092 -12.322 1.00 51.33 H new ATOM 0 HG12 VAL A 31 3.176 -4.706 -12.563 1.00 51.33 H new ATOM 0 HG13 VAL A 31 1.470 -4.414 -12.975 1.00 51.33 H new ATOM 0 HG21 VAL A 31 0.860 -2.696 -10.486 1.00 53.11 H new ATOM 0 HG22 VAL A 31 -0.201 -4.004 -11.062 1.00 53.11 H new ATOM 0 HG23 VAL A 31 0.405 -4.021 -9.389 1.00 53.11 H new ATOM 431 N GLU A 32 0.699 -7.091 -12.795 1.00 44.03 N ATOM 432 CA GLU A 32 -0.336 -7.478 -13.747 1.00 23.42 C ATOM 433 C GLU A 32 -1.044 -8.752 -13.293 1.00 31.13 C ATOM 434 O GLU A 32 -2.159 -9.043 -13.722 1.00 41.44 O ATOM 435 CB GLU A 32 0.269 -7.686 -15.137 1.00 34.15 C ATOM 436 CG GLU A 32 1.046 -8.985 -15.274 1.00 43.41 C ATOM 437 CD GLU A 32 0.402 -9.949 -16.251 1.00 21.54 C ATOM 438 OE1 GLU A 32 0.718 -9.873 -17.456 1.00 10.35 O ATOM 439 OE2 GLU A 32 -0.418 -10.781 -15.810 1.00 43.13 O ATOM 0 H GLU A 32 1.640 -7.389 -13.051 1.00 44.03 H new ATOM 0 HA GLU A 32 -1.069 -6.672 -13.795 1.00 23.42 H new ATOM 0 HB2 GLU A 32 -0.530 -7.671 -15.878 1.00 34.15 H new ATOM 0 HB3 GLU A 32 0.931 -6.851 -15.365 1.00 34.15 H new ATOM 0 HG2 GLU A 32 2.061 -8.764 -15.603 1.00 43.41 H new ATOM 0 HG3 GLU A 32 1.125 -9.462 -14.297 1.00 43.41 H new ATOM 444 N VAL A 33 -0.384 -9.509 -12.421 1.00 62.55 N ATOM 445 CA VAL A 33 -0.949 -10.752 -11.908 1.00 52.12 C ATOM 446 C VAL A 33 -1.511 -10.560 -10.503 1.00 63.04 C ATOM 447 O VAL A 33 -2.067 -11.488 -9.913 1.00 42.13 O ATOM 448 CB VAL A 33 0.103 -11.877 -11.878 1.00 11.20 C ATOM 449 CG1 VAL A 33 0.894 -11.834 -10.579 1.00 12.22 C ATOM 450 CG2 VAL A 33 -0.561 -13.232 -12.063 1.00 14.21 C ATOM 0 H VAL A 33 0.541 -9.283 -12.056 1.00 62.55 H new ATOM 0 HA VAL A 33 -1.755 -11.037 -12.584 1.00 52.12 H new ATOM 0 HB VAL A 33 0.798 -11.723 -12.704 1.00 11.20 H new ATOM 0 HG11 VAL A 33 1.632 -12.636 -10.576 1.00 12.22 H new ATOM 0 HG12 VAL A 33 1.402 -10.873 -10.494 1.00 12.22 H new ATOM 0 HG13 VAL A 33 0.216 -11.962 -9.736 1.00 12.22 H new ATOM 0 HG21 VAL A 33 0.197 -14.015 -12.039 1.00 14.21 H new ATOM 0 HG22 VAL A 33 -1.279 -13.398 -11.260 1.00 14.21 H new ATOM 0 HG23 VAL A 33 -1.077 -13.256 -13.023 1.00 14.21 H new ATOM 460 N LEU A 34 -1.366 -9.351 -9.974 1.00 33.24 N ATOM 461 CA LEU A 34 -1.860 -9.037 -8.637 1.00 43.50 C ATOM 462 C LEU A 34 -3.385 -9.024 -8.610 1.00 41.41 C ATOM 463 O LEU A 34 -4.022 -8.259 -9.335 1.00 35.04 O ATOM 464 CB LEU A 34 -1.319 -7.682 -8.177 1.00 64.14 C ATOM 465 CG LEU A 34 -1.066 -7.534 -6.676 1.00 25.11 C ATOM 466 CD1 LEU A 34 -2.382 -7.412 -5.923 1.00 62.10 C ATOM 467 CD2 LEU A 34 -0.258 -8.713 -6.154 1.00 63.22 C ATOM 0 H LEU A 34 -0.911 -8.572 -10.449 1.00 33.24 H new ATOM 0 HA LEU A 34 -1.509 -9.812 -7.955 1.00 43.50 H new ATOM 0 HB2 LEU A 34 -0.384 -7.489 -8.703 1.00 64.14 H new ATOM 0 HB3 LEU A 34 -2.023 -6.909 -8.484 1.00 64.14 H new ATOM 0 HG LEU A 34 -0.491 -6.623 -6.511 1.00 25.11 H new ATOM 0 HD11 LEU A 34 -2.183 -7.308 -4.856 1.00 62.10 H new ATOM 0 HD12 LEU A 34 -2.925 -6.536 -6.278 1.00 62.10 H new ATOM 0 HD13 LEU A 34 -2.983 -8.305 -6.094 1.00 62.10 H new ATOM 0 HD21 LEU A 34 -0.087 -8.592 -5.084 1.00 63.22 H new ATOM 0 HD22 LEU A 34 -0.807 -9.638 -6.331 1.00 63.22 H new ATOM 0 HD23 LEU A 34 0.700 -8.755 -6.672 1.00 63.22 H new ATOM 478 N ARG A 35 -3.965 -9.875 -7.769 1.00 5.23 N ATOM 479 CA ARG A 35 -5.414 -9.960 -7.648 1.00 74.13 C ATOM 480 C ARG A 35 -5.954 -8.831 -6.775 1.00 75.40 C ATOM 481 O ARG A 35 -5.297 -8.396 -5.828 1.00 61.11 O ATOM 482 CB ARG A 35 -5.819 -11.313 -7.059 1.00 41.31 C ATOM 483 CG ARG A 35 -5.274 -12.502 -7.833 1.00 53.02 C ATOM 484 CD ARG A 35 -6.393 -13.404 -8.330 1.00 71.14 C ATOM 485 NE ARG A 35 -7.170 -12.776 -9.395 1.00 71.30 N ATOM 486 CZ ARG A 35 -8.044 -13.432 -10.151 1.00 0.32 C ATOM 487 NH1 ARG A 35 -8.251 -14.728 -9.959 1.00 12.34 N ATOM 488 NH2 ARG A 35 -8.712 -12.792 -11.101 1.00 52.44 N ATOM 0 H ARG A 35 -3.453 -10.515 -7.162 1.00 5.23 H new ATOM 0 HA ARG A 35 -5.843 -9.862 -8.645 1.00 74.13 H new ATOM 0 HB2 ARG A 35 -5.469 -11.370 -6.028 1.00 41.31 H new ATOM 0 HB3 ARG A 35 -6.907 -11.376 -7.031 1.00 41.31 H new ATOM 0 HG2 ARG A 35 -4.687 -12.148 -8.681 1.00 53.02 H new ATOM 0 HG3 ARG A 35 -4.600 -13.074 -7.196 1.00 53.02 H new ATOM 0 HD2 ARG A 35 -5.969 -14.340 -8.694 1.00 71.14 H new ATOM 0 HD3 ARG A 35 -7.053 -13.654 -7.499 1.00 71.14 H new ATOM 0 HE ARG A 35 -7.035 -11.780 -9.568 1.00 71.30 H new ATOM 0 HH11 ARG A 35 -7.739 -15.224 -9.229 1.00 12.34 H new ATOM 0 HH12 ARG A 35 -8.923 -15.229 -10.541 1.00 12.34 H new ATOM 0 HH21 ARG A 35 -8.555 -11.795 -11.252 1.00 52.44 H new ATOM 0 HH22 ARG A 35 -9.383 -13.296 -11.681 1.00 52.44 H new ATOM 499 N ASP A 36 -7.153 -8.362 -7.098 1.00 54.24 N ATOM 500 CA ASP A 36 -7.782 -7.284 -6.343 1.00 52.44 C ATOM 501 C ASP A 36 -8.270 -7.783 -4.987 1.00 71.13 C ATOM 502 O ASP A 36 -8.364 -7.016 -4.028 1.00 3.42 O ATOM 503 CB ASP A 36 -8.951 -6.693 -7.133 1.00 12.20 C ATOM 504 CG ASP A 36 -8.633 -6.535 -8.607 1.00 20.12 C ATOM 505 OD1 ASP A 36 -7.929 -5.567 -8.962 1.00 22.31 O ATOM 506 OD2 ASP A 36 -9.087 -7.381 -9.405 1.00 44.14 O ATOM 0 H ASP A 36 -7.710 -8.711 -7.878 1.00 54.24 H new ATOM 0 HA ASP A 36 -7.036 -6.507 -6.177 1.00 52.44 H new ATOM 0 HB2 ASP A 36 -9.824 -7.336 -7.020 1.00 12.20 H new ATOM 0 HB3 ASP A 36 -9.214 -5.721 -6.715 1.00 12.20 H new ATOM 510 N ASP A 37 -8.580 -9.072 -4.913 1.00 30.32 N ATOM 511 CA ASP A 37 -9.058 -9.675 -3.674 1.00 24.22 C ATOM 512 C ASP A 37 -7.944 -10.455 -2.984 1.00 30.02 C ATOM 513 O ASP A 37 -8.203 -11.300 -2.127 1.00 52.20 O ATOM 514 CB ASP A 37 -10.245 -10.597 -3.955 1.00 23.42 C ATOM 515 CG ASP A 37 -11.421 -9.859 -4.563 1.00 63.20 C ATOM 516 OD1 ASP A 37 -12.121 -9.142 -3.818 1.00 71.14 O ATOM 517 OD2 ASP A 37 -11.642 -9.997 -5.784 1.00 24.45 O ATOM 0 H ASP A 37 -8.509 -9.721 -5.697 1.00 30.32 H new ATOM 0 HA ASP A 37 -9.380 -8.873 -3.010 1.00 24.22 H new ATOM 0 HB2 ASP A 37 -9.931 -11.393 -4.630 1.00 23.42 H new ATOM 0 HB3 ASP A 37 -10.559 -11.073 -3.026 1.00 23.42 H new ATOM 521 N SER A 38 -6.703 -10.167 -3.365 1.00 74.21 N ATOM 522 CA SER A 38 -5.550 -10.845 -2.785 1.00 30.31 C ATOM 523 C SER A 38 -5.279 -10.345 -1.370 1.00 51.51 C ATOM 524 O SER A 38 -5.377 -9.149 -1.092 1.00 4.23 O ATOM 525 CB SER A 38 -4.313 -10.629 -3.659 1.00 65.21 C ATOM 526 OG SER A 38 -3.139 -10.538 -2.871 1.00 34.41 O ATOM 0 H SER A 38 -6.471 -9.469 -4.072 1.00 74.21 H new ATOM 0 HA SER A 38 -5.773 -11.911 -2.738 1.00 30.31 H new ATOM 0 HB2 SER A 38 -4.216 -11.452 -4.367 1.00 65.21 H new ATOM 0 HB3 SER A 38 -4.433 -9.718 -4.245 1.00 65.21 H new ATOM 0 HG SER A 38 -2.480 -11.189 -3.190 1.00 34.41 H new ATOM 531 N ARG A 39 -4.938 -11.269 -0.477 1.00 41.21 N ATOM 532 CA ARG A 39 -4.654 -10.923 0.911 1.00 61.13 C ATOM 533 C ARG A 39 -3.158 -10.716 1.124 1.00 12.42 C ATOM 534 O ARG A 39 -2.334 -11.235 0.370 1.00 54.43 O ATOM 535 CB ARG A 39 -5.167 -12.019 1.846 1.00 32.01 C ATOM 536 CG ARG A 39 -6.529 -12.569 1.453 1.00 15.32 C ATOM 537 CD ARG A 39 -7.389 -12.852 2.675 1.00 43.22 C ATOM 538 NE ARG A 39 -8.191 -11.694 3.059 1.00 70.04 N ATOM 539 CZ ARG A 39 -9.346 -11.376 2.485 1.00 5.14 C ATOM 540 NH1 ARG A 39 -9.830 -12.126 1.504 1.00 54.32 N ATOM 541 NH2 ARG A 39 -10.018 -10.307 2.890 1.00 44.43 N ATOM 0 H ARG A 39 -4.852 -12.263 -0.690 1.00 41.21 H new ATOM 0 HA ARG A 39 -5.168 -9.990 1.140 1.00 61.13 H new ATOM 0 HB2 ARG A 39 -4.446 -12.836 1.863 1.00 32.01 H new ATOM 0 HB3 ARG A 39 -5.224 -11.622 2.860 1.00 32.01 H new ATOM 0 HG2 ARG A 39 -7.038 -11.855 0.806 1.00 15.32 H new ATOM 0 HG3 ARG A 39 -6.400 -13.485 0.877 1.00 15.32 H new ATOM 0 HD2 ARG A 39 -8.047 -13.696 2.468 1.00 43.22 H new ATOM 0 HD3 ARG A 39 -6.750 -13.143 3.509 1.00 43.22 H new ATOM 0 HE ARG A 39 -7.845 -11.096 3.810 1.00 70.04 H new ATOM 0 HH11 ARG A 39 -9.315 -12.948 1.189 1.00 54.32 H new ATOM 0 HH12 ARG A 39 -10.717 -11.880 1.064 1.00 54.32 H new ATOM 0 HH21 ARG A 39 -9.648 -9.727 3.643 1.00 44.43 H new ATOM 0 HH22 ARG A 39 -10.905 -10.064 2.448 1.00 44.43 H new ATOM 552 N PHE A 40 -2.814 -9.952 2.155 1.00 15.35 N ATOM 553 CA PHE A 40 -1.416 -9.674 2.468 1.00 43.55 C ATOM 554 C PHE A 40 -0.807 -10.805 3.291 1.00 70.34 C ATOM 555 O PHE A 40 0.173 -10.607 4.010 1.00 14.13 O ATOM 556 CB PHE A 40 -1.295 -8.351 3.228 1.00 60.51 C ATOM 557 CG PHE A 40 -2.025 -7.215 2.574 1.00 55.31 C ATOM 558 CD1 PHE A 40 -1.524 -6.619 1.428 1.00 32.31 C ATOM 559 CD2 PHE A 40 -3.214 -6.740 3.106 1.00 14.05 C ATOM 560 CE1 PHE A 40 -2.195 -5.572 0.824 1.00 21.51 C ATOM 561 CE2 PHE A 40 -3.889 -5.694 2.506 1.00 23.24 C ATOM 562 CZ PHE A 40 -3.378 -5.109 1.364 1.00 25.02 C ATOM 0 H PHE A 40 -3.483 -9.514 2.788 1.00 15.35 H new ATOM 0 HA PHE A 40 -0.868 -9.597 1.529 1.00 43.55 H new ATOM 0 HB2 PHE A 40 -1.680 -8.486 4.239 1.00 60.51 H new ATOM 0 HB3 PHE A 40 -0.241 -8.090 3.320 1.00 60.51 H new ATOM 0 HD1 PHE A 40 -0.598 -6.977 1.002 1.00 32.31 H new ATOM 0 HD2 PHE A 40 -3.617 -7.193 4.000 1.00 14.05 H new ATOM 0 HE1 PHE A 40 -1.794 -5.117 -0.070 1.00 21.51 H new ATOM 0 HE2 PHE A 40 -4.815 -5.334 2.930 1.00 23.24 H new ATOM 0 HZ PHE A 40 -3.903 -4.291 0.894 1.00 25.02 H new ATOM 571 N LEU A 41 -1.394 -11.992 3.180 1.00 53.44 N ATOM 572 CA LEU A 41 -0.912 -13.156 3.914 1.00 22.31 C ATOM 573 C LEU A 41 -1.351 -14.449 3.234 1.00 33.04 C ATOM 574 O LEU A 41 -0.576 -15.401 3.130 1.00 53.14 O ATOM 575 CB LEU A 41 -1.426 -13.125 5.355 1.00 5.43 C ATOM 576 CG LEU A 41 -0.561 -12.362 6.359 1.00 55.23 C ATOM 577 CD1 LEU A 41 -1.246 -12.302 7.716 1.00 21.13 C ATOM 578 CD2 LEU A 41 0.812 -13.008 6.480 1.00 72.43 C ATOM 0 H LEU A 41 -2.205 -12.173 2.588 1.00 53.44 H new ATOM 0 HA LEU A 41 0.177 -13.123 3.923 1.00 22.31 H new ATOM 0 HB2 LEU A 41 -2.423 -12.684 5.355 1.00 5.43 H new ATOM 0 HB3 LEU A 41 -1.532 -14.152 5.704 1.00 5.43 H new ATOM 0 HG LEU A 41 -0.430 -11.343 5.996 1.00 55.23 H new ATOM 0 HD11 LEU A 41 -0.616 -11.755 8.418 1.00 21.13 H new ATOM 0 HD12 LEU A 41 -2.205 -11.793 7.617 1.00 21.13 H new ATOM 0 HD13 LEU A 41 -1.408 -13.314 8.087 1.00 21.13 H new ATOM 0 HD21 LEU A 41 1.414 -12.452 7.199 1.00 72.43 H new ATOM 0 HD22 LEU A 41 0.701 -14.038 6.820 1.00 72.43 H new ATOM 0 HD23 LEU A 41 1.306 -12.998 5.508 1.00 72.43 H new ATOM 589 N ASP A 42 -2.595 -14.475 2.771 1.00 61.13 N ATOM 590 CA ASP A 42 -3.135 -15.650 2.096 1.00 12.50 C ATOM 591 C ASP A 42 -2.296 -16.009 0.874 1.00 51.20 C ATOM 592 O ASP A 42 -1.860 -17.151 0.722 1.00 53.12 O ATOM 593 CB ASP A 42 -4.586 -15.402 1.680 1.00 1.12 C ATOM 594 CG ASP A 42 -5.357 -16.691 1.473 1.00 34.21 C ATOM 595 OD1 ASP A 42 -4.964 -17.482 0.592 1.00 61.32 O ATOM 596 OD2 ASP A 42 -6.354 -16.909 2.194 1.00 15.50 O ATOM 0 H ASP A 42 -3.249 -13.696 2.850 1.00 61.13 H new ATOM 0 HA ASP A 42 -3.103 -16.487 2.794 1.00 12.50 H new ATOM 0 HB2 ASP A 42 -5.083 -14.804 2.444 1.00 1.12 H new ATOM 0 HB3 ASP A 42 -4.602 -14.820 0.758 1.00 1.12 H new ATOM 600 N ASP A 43 -2.075 -15.029 0.006 1.00 51.45 N ATOM 601 CA ASP A 43 -1.288 -15.241 -1.204 1.00 34.10 C ATOM 602 C ASP A 43 0.010 -14.441 -1.155 1.00 64.14 C ATOM 603 O ASP A 43 1.100 -14.999 -1.289 1.00 15.15 O ATOM 604 CB ASP A 43 -2.098 -14.849 -2.440 1.00 51.33 C ATOM 605 CG ASP A 43 -2.543 -16.053 -3.247 1.00 72.11 C ATOM 606 OD1 ASP A 43 -1.672 -16.853 -3.647 1.00 43.12 O ATOM 607 OD2 ASP A 43 -3.762 -16.195 -3.479 1.00 0.33 O ATOM 0 H ASP A 43 -2.430 -14.079 0.117 1.00 51.45 H new ATOM 0 HA ASP A 43 -1.038 -16.300 -1.265 1.00 34.10 H new ATOM 0 HB2 ASP A 43 -2.974 -14.279 -2.131 1.00 51.33 H new ATOM 0 HB3 ASP A 43 -1.498 -14.194 -3.071 1.00 51.33 H new ATOM 611 N LEU A 44 -0.115 -13.132 -0.965 1.00 21.20 N ATOM 612 CA LEU A 44 1.048 -12.255 -0.900 1.00 54.12 C ATOM 613 C LEU A 44 2.002 -12.695 0.206 1.00 72.04 C ATOM 614 O LEU A 44 3.203 -12.429 0.147 1.00 13.31 O ATOM 615 CB LEU A 44 0.608 -10.808 -0.664 1.00 72.45 C ATOM 616 CG LEU A 44 -0.496 -10.285 -1.583 1.00 51.40 C ATOM 617 CD1 LEU A 44 -0.992 -8.930 -1.103 1.00 54.05 C ATOM 618 CD2 LEU A 44 0.002 -10.194 -3.017 1.00 5.53 C ATOM 0 H LEU A 44 -1.010 -12.655 -0.853 1.00 21.20 H new ATOM 0 HA LEU A 44 1.573 -12.318 -1.853 1.00 54.12 H new ATOM 0 HB2 LEU A 44 0.268 -10.716 0.368 1.00 72.45 H new ATOM 0 HB3 LEU A 44 1.479 -10.162 -0.772 1.00 72.45 H new ATOM 0 HG LEU A 44 -1.330 -10.987 -1.553 1.00 51.40 H new ATOM 0 HD11 LEU A 44 -1.778 -8.573 -1.769 1.00 54.05 H new ATOM 0 HD12 LEU A 44 -1.389 -9.025 -0.092 1.00 54.05 H new ATOM 0 HD13 LEU A 44 -0.166 -8.219 -1.103 1.00 54.05 H new ATOM 0 HD21 LEU A 44 -0.797 -9.820 -3.657 1.00 5.53 H new ATOM 0 HD22 LEU A 44 0.853 -9.514 -3.064 1.00 5.53 H new ATOM 0 HD23 LEU A 44 0.308 -11.183 -3.359 1.00 5.53 H new ATOM 629 N HIS A 45 1.459 -13.372 1.213 1.00 54.43 N ATOM 630 CA HIS A 45 2.262 -13.852 2.332 1.00 73.13 C ATOM 631 C HIS A 45 3.159 -12.742 2.872 1.00 33.44 C ATOM 632 O HIS A 45 4.371 -12.752 2.657 1.00 34.52 O ATOM 633 CB HIS A 45 3.112 -15.047 1.901 1.00 34.41 C ATOM 634 CG HIS A 45 3.561 -15.906 3.044 1.00 32.01 C ATOM 635 ND1 HIS A 45 4.856 -15.912 3.516 1.00 23.21 N ATOM 636 CD2 HIS A 45 2.878 -16.788 3.811 1.00 4.44 C ATOM 637 CE1 HIS A 45 4.951 -16.763 4.523 1.00 2.15 C ATOM 638 NE2 HIS A 45 3.765 -17.307 4.721 1.00 34.11 N ATOM 0 H HIS A 45 0.467 -13.600 1.277 1.00 54.43 H new ATOM 0 HA HIS A 45 1.584 -14.166 3.126 1.00 73.13 H new ATOM 0 HB2 HIS A 45 2.539 -15.657 1.202 1.00 34.41 H new ATOM 0 HB3 HIS A 45 3.988 -14.684 1.364 1.00 34.41 H new ATOM 0 HD2 HIS A 45 1.831 -17.037 3.723 1.00 4.44 H new ATOM 0 HE1 HIS A 45 5.847 -16.977 5.088 1.00 2.15 H new ATOM 0 HE2 HIS A 45 3.543 -18.001 5.435 1.00 34.11 H new ATOM 645 N MET A 46 2.557 -11.788 3.573 1.00 55.10 N ATOM 646 CA MET A 46 3.302 -10.672 4.144 1.00 33.13 C ATOM 647 C MET A 46 2.956 -10.484 5.618 1.00 1.13 C ATOM 648 O MET A 46 1.836 -10.106 5.959 1.00 11.03 O ATOM 649 CB MET A 46 3.007 -9.386 3.371 1.00 3.41 C ATOM 650 CG MET A 46 2.732 -9.613 1.894 1.00 23.22 C ATOM 651 SD MET A 46 1.748 -8.294 1.159 1.00 45.23 S ATOM 652 CE MET A 46 2.862 -7.711 -0.118 1.00 22.01 C ATOM 0 H MET A 46 1.554 -11.765 3.760 1.00 55.10 H new ATOM 0 HA MET A 46 4.365 -10.899 4.065 1.00 33.13 H new ATOM 0 HB2 MET A 46 2.146 -8.891 3.820 1.00 3.41 H new ATOM 0 HB3 MET A 46 3.854 -8.708 3.474 1.00 3.41 H new ATOM 0 HG2 MET A 46 3.679 -9.695 1.361 1.00 23.22 H new ATOM 0 HG3 MET A 46 2.212 -10.563 1.767 1.00 23.22 H new ATOM 0 HE1 MET A 46 2.432 -6.835 -0.604 1.00 22.01 H new ATOM 0 HE2 MET A 46 3.820 -7.444 0.329 1.00 22.01 H new ATOM 0 HE3 MET A 46 3.013 -8.498 -0.857 1.00 22.01 H new ATOM 660 N SER A 47 3.926 -10.751 6.487 1.00 30.11 N ATOM 661 CA SER A 47 3.723 -10.616 7.924 1.00 13.22 C ATOM 662 C SER A 47 3.360 -9.179 8.289 1.00 21.35 C ATOM 663 O SER A 47 3.611 -8.250 7.521 1.00 24.43 O ATOM 664 CB SER A 47 4.981 -11.044 8.682 1.00 43.01 C ATOM 665 OG SER A 47 5.429 -12.315 8.248 1.00 24.34 O ATOM 0 H SER A 47 4.860 -11.062 6.220 1.00 30.11 H new ATOM 0 HA SER A 47 2.896 -11.266 8.211 1.00 13.22 H new ATOM 0 HB2 SER A 47 5.769 -10.306 8.531 1.00 43.01 H new ATOM 0 HB3 SER A 47 4.773 -11.074 9.751 1.00 43.01 H new ATOM 0 HG SER A 47 6.235 -12.565 8.746 1.00 24.34 H new ATOM 670 N SER A 48 2.768 -9.004 9.466 1.00 63.52 N ATOM 671 CA SER A 48 2.367 -7.683 9.932 1.00 42.41 C ATOM 672 C SER A 48 3.507 -6.680 9.771 1.00 62.42 C ATOM 673 O SER A 48 3.284 -5.521 9.421 1.00 72.22 O ATOM 674 CB SER A 48 1.931 -7.745 11.397 1.00 25.15 C ATOM 675 OG SER A 48 0.973 -6.742 11.687 1.00 31.45 O ATOM 0 H SER A 48 2.555 -9.762 10.115 1.00 63.52 H new ATOM 0 HA SER A 48 1.525 -7.351 9.324 1.00 42.41 H new ATOM 0 HB2 SER A 48 1.511 -8.727 11.613 1.00 25.15 H new ATOM 0 HB3 SER A 48 2.800 -7.621 12.044 1.00 25.15 H new ATOM 0 HG SER A 48 0.709 -6.804 12.629 1.00 31.45 H new ATOM 680 N ILE A 49 4.728 -7.137 10.028 1.00 32.30 N ATOM 681 CA ILE A 49 5.903 -6.282 9.911 1.00 60.25 C ATOM 682 C ILE A 49 6.262 -6.038 8.449 1.00 51.11 C ATOM 683 O ILE A 49 6.642 -4.931 8.068 1.00 21.11 O ATOM 684 CB ILE A 49 7.119 -6.895 10.630 1.00 74.43 C ATOM 685 CG1 ILE A 49 6.803 -7.120 12.111 1.00 62.53 C ATOM 686 CG2 ILE A 49 8.336 -5.996 10.475 1.00 43.40 C ATOM 687 CD1 ILE A 49 6.307 -5.879 12.818 1.00 71.43 C ATOM 0 H ILE A 49 4.929 -8.094 10.318 1.00 32.30 H new ATOM 0 HA ILE A 49 5.651 -5.333 10.385 1.00 60.25 H new ATOM 0 HB ILE A 49 7.343 -7.859 10.174 1.00 74.43 H new ATOM 0 HG12 ILE A 49 6.050 -7.904 12.199 1.00 62.53 H new ATOM 0 HG13 ILE A 49 7.700 -7.481 12.615 1.00 62.53 H new ATOM 0 HG21 ILE A 49 9.187 -6.444 10.989 1.00 43.40 H new ATOM 0 HG22 ILE A 49 8.571 -5.881 9.417 1.00 43.40 H new ATOM 0 HG23 ILE A 49 8.124 -5.019 10.908 1.00 43.40 H new ATOM 0 HD11 ILE A 49 6.103 -6.113 13.863 1.00 71.43 H new ATOM 0 HD12 ILE A 49 7.067 -5.100 12.762 1.00 71.43 H new ATOM 0 HD13 ILE A 49 5.392 -5.529 12.339 1.00 71.43 H new ATOM 698 N THR A 50 6.136 -7.080 7.632 1.00 15.13 N ATOM 699 CA THR A 50 6.445 -6.980 6.212 1.00 10.03 C ATOM 700 C THR A 50 5.509 -6.001 5.513 1.00 73.24 C ATOM 701 O THR A 50 5.925 -5.250 4.630 1.00 70.23 O ATOM 702 CB THR A 50 6.349 -8.351 5.517 1.00 30.22 C ATOM 703 OG1 THR A 50 7.258 -9.274 6.128 1.00 64.02 O ATOM 704 CG2 THR A 50 6.662 -8.229 4.034 1.00 3.21 C ATOM 0 H THR A 50 5.822 -8.003 7.931 1.00 15.13 H new ATOM 0 HA THR A 50 7.469 -6.615 6.137 1.00 10.03 H new ATOM 0 HB THR A 50 5.329 -8.719 5.627 1.00 30.22 H new ATOM 0 HG1 THR A 50 7.190 -10.144 5.682 1.00 64.02 H new ATOM 0 HG21 THR A 50 6.588 -9.210 3.565 1.00 3.21 H new ATOM 0 HG22 THR A 50 5.950 -7.548 3.567 1.00 3.21 H new ATOM 0 HG23 THR A 50 7.673 -7.841 3.906 1.00 3.21 H new ATOM 712 N VAL A 51 4.241 -6.014 5.913 1.00 70.55 N ATOM 713 CA VAL A 51 3.244 -5.127 5.326 1.00 4.21 C ATOM 714 C VAL A 51 3.583 -3.665 5.596 1.00 72.42 C ATOM 715 O VAL A 51 3.581 -2.838 4.687 1.00 42.12 O ATOM 716 CB VAL A 51 1.835 -5.426 5.871 1.00 22.33 C ATOM 717 CG1 VAL A 51 0.777 -4.746 5.016 1.00 62.31 C ATOM 718 CG2 VAL A 51 1.597 -6.927 5.936 1.00 63.13 C ATOM 0 H VAL A 51 3.880 -6.630 6.642 1.00 70.55 H new ATOM 0 HA VAL A 51 3.254 -5.307 4.251 1.00 4.21 H new ATOM 0 HB VAL A 51 1.762 -5.026 6.882 1.00 22.33 H new ATOM 0 HG11 VAL A 51 -0.212 -4.968 5.416 1.00 62.31 H new ATOM 0 HG12 VAL A 51 0.939 -3.668 5.026 1.00 62.31 H new ATOM 0 HG13 VAL A 51 0.845 -5.113 3.992 1.00 62.31 H new ATOM 0 HG21 VAL A 51 0.597 -7.120 6.323 1.00 63.13 H new ATOM 0 HG22 VAL A 51 1.688 -7.353 4.937 1.00 63.13 H new ATOM 0 HG23 VAL A 51 2.336 -7.384 6.594 1.00 63.13 H new ATOM 728 N GLY A 52 3.874 -3.355 6.856 1.00 11.24 N ATOM 729 CA GLY A 52 4.211 -1.992 7.225 1.00 22.40 C ATOM 730 C GLY A 52 5.385 -1.451 6.433 1.00 32.10 C ATOM 731 O GLY A 52 5.489 -0.245 6.213 1.00 54.35 O ATOM 0 H GLY A 52 3.882 -4.023 7.627 1.00 11.24 H new ATOM 0 HA2 GLY A 52 3.344 -1.351 7.067 1.00 22.40 H new ATOM 0 HA3 GLY A 52 4.446 -1.954 8.289 1.00 22.40 H new ATOM 735 N GLN A 53 6.271 -2.344 6.006 1.00 1.13 N ATOM 736 CA GLN A 53 7.444 -1.948 5.237 1.00 3.11 C ATOM 737 C GLN A 53 7.041 -1.405 3.869 1.00 72.33 C ATOM 738 O GLN A 53 7.566 -0.388 3.414 1.00 44.05 O ATOM 739 CB GLN A 53 8.395 -3.134 5.068 1.00 65.35 C ATOM 740 CG GLN A 53 8.706 -3.854 6.370 1.00 21.23 C ATOM 741 CD GLN A 53 10.166 -3.741 6.765 1.00 62.01 C ATOM 742 OE1 GLN A 53 10.565 -2.798 7.449 1.00 52.31 O ATOM 743 NE2 GLN A 53 10.972 -4.705 6.333 1.00 14.54 N ATOM 0 H GLN A 53 6.199 -3.347 6.180 1.00 1.13 H new ATOM 0 HA GLN A 53 7.956 -1.157 5.785 1.00 3.11 H new ATOM 0 HB2 GLN A 53 7.957 -3.843 4.366 1.00 65.35 H new ATOM 0 HB3 GLN A 53 9.327 -2.782 4.626 1.00 65.35 H new ATOM 0 HG2 GLN A 53 8.085 -3.442 7.166 1.00 21.23 H new ATOM 0 HG3 GLN A 53 8.441 -4.907 6.271 1.00 21.23 H new ATOM 0 HE21 GLN A 53 10.598 -5.468 5.768 1.00 14.54 H new ATOM 0 HE22 GLN A 53 11.965 -4.682 6.566 1.00 14.54 H new ATOM 750 N LEU A 54 6.108 -2.091 3.219 1.00 3.20 N ATOM 751 CA LEU A 54 5.634 -1.679 1.902 1.00 4.11 C ATOM 752 C LEU A 54 4.596 -0.567 2.021 1.00 64.35 C ATOM 753 O LEU A 54 4.508 0.308 1.160 1.00 53.25 O ATOM 754 CB LEU A 54 5.037 -2.873 1.156 1.00 23.42 C ATOM 755 CG LEU A 54 3.539 -3.108 1.354 1.00 23.01 C ATOM 756 CD1 LEU A 54 2.736 -2.336 0.318 1.00 13.12 C ATOM 757 CD2 LEU A 54 3.218 -4.594 1.281 1.00 12.43 C ATOM 0 H LEU A 54 5.665 -2.935 3.582 1.00 3.20 H new ATOM 0 HA LEU A 54 6.486 -1.297 1.339 1.00 4.11 H new ATOM 0 HB2 LEU A 54 5.226 -2.741 0.091 1.00 23.42 H new ATOM 0 HB3 LEU A 54 5.569 -3.772 1.466 1.00 23.42 H new ATOM 0 HG LEU A 54 3.261 -2.745 2.343 1.00 23.01 H new ATOM 0 HD11 LEU A 54 1.672 -2.515 0.475 1.00 13.12 H new ATOM 0 HD12 LEU A 54 2.943 -1.270 0.418 1.00 13.12 H new ATOM 0 HD13 LEU A 54 3.017 -2.668 -0.681 1.00 13.12 H new ATOM 0 HD21 LEU A 54 2.148 -4.742 1.424 1.00 12.43 H new ATOM 0 HD22 LEU A 54 3.511 -4.982 0.305 1.00 12.43 H new ATOM 0 HD23 LEU A 54 3.765 -5.123 2.061 1.00 12.43 H new ATOM 768 N VAL A 55 3.812 -0.610 3.094 1.00 45.51 N ATOM 769 CA VAL A 55 2.781 0.395 3.327 1.00 45.32 C ATOM 770 C VAL A 55 3.383 1.794 3.398 1.00 34.31 C ATOM 771 O VAL A 55 2.774 2.766 2.956 1.00 20.10 O ATOM 772 CB VAL A 55 2.008 0.114 4.628 1.00 73.23 C ATOM 773 CG1 VAL A 55 1.250 1.354 5.078 1.00 22.40 C ATOM 774 CG2 VAL A 55 1.061 -1.062 4.442 1.00 75.03 C ATOM 0 H VAL A 55 3.871 -1.329 3.815 1.00 45.51 H new ATOM 0 HA VAL A 55 2.091 0.342 2.485 1.00 45.32 H new ATOM 0 HB VAL A 55 2.725 -0.146 5.407 1.00 73.23 H new ATOM 0 HG11 VAL A 55 0.710 1.136 5.999 1.00 22.40 H new ATOM 0 HG12 VAL A 55 1.954 2.167 5.254 1.00 22.40 H new ATOM 0 HG13 VAL A 55 0.542 1.649 4.303 1.00 22.40 H new ATOM 0 HG21 VAL A 55 0.523 -1.246 5.372 1.00 75.03 H new ATOM 0 HG22 VAL A 55 0.348 -0.833 3.649 1.00 75.03 H new ATOM 0 HG23 VAL A 55 1.632 -1.950 4.171 1.00 75.03 H new ATOM 784 N ASN A 56 4.585 1.887 3.959 1.00 3.02 N ATOM 785 CA ASN A 56 5.271 3.168 4.088 1.00 43.11 C ATOM 786 C ASN A 56 5.654 3.720 2.719 1.00 21.02 C ATOM 787 O ASN A 56 5.671 4.933 2.511 1.00 61.32 O ATOM 788 CB ASN A 56 6.521 3.015 4.957 1.00 74.10 C ATOM 789 CG ASN A 56 6.244 3.294 6.421 1.00 54.15 C ATOM 790 OD1 ASN A 56 5.777 4.375 6.781 1.00 34.31 O ATOM 791 ND2 ASN A 56 6.532 2.319 7.275 1.00 72.42 N ATOM 0 H ASN A 56 5.103 1.091 4.331 1.00 3.02 H new ATOM 0 HA ASN A 56 4.589 3.871 4.565 1.00 43.11 H new ATOM 0 HB2 ASN A 56 6.913 2.003 4.850 1.00 74.10 H new ATOM 0 HB3 ASN A 56 7.294 3.696 4.600 1.00 74.10 H new ATOM 0 HD21 ASN A 56 6.367 2.450 8.273 1.00 72.42 H new ATOM 0 HD22 ASN A 56 6.918 1.439 6.933 1.00 72.42 H new ATOM 797 N GLU A 57 5.962 2.822 1.788 1.00 73.45 N ATOM 798 CA GLU A 57 6.345 3.220 0.440 1.00 42.12 C ATOM 799 C GLU A 57 5.149 3.780 -0.324 1.00 74.04 C ATOM 800 O GLU A 57 5.291 4.688 -1.141 1.00 43.33 O ATOM 801 CB GLU A 57 6.936 2.029 -0.319 1.00 40.10 C ATOM 802 CG GLU A 57 7.754 2.429 -1.535 1.00 63.13 C ATOM 803 CD GLU A 57 9.052 3.119 -1.165 1.00 73.43 C ATOM 804 OE1 GLU A 57 9.439 3.055 0.021 1.00 15.24 O ATOM 805 OE2 GLU A 57 9.680 3.723 -2.058 1.00 3.31 O ATOM 0 H GLU A 57 5.953 1.814 1.944 1.00 73.45 H new ATOM 0 HA GLU A 57 7.100 4.002 0.521 1.00 42.12 H new ATOM 0 HB2 GLU A 57 7.566 1.453 0.359 1.00 40.10 H new ATOM 0 HB3 GLU A 57 6.126 1.373 -0.636 1.00 40.10 H new ATOM 0 HG2 GLU A 57 7.975 1.541 -2.127 1.00 63.13 H new ATOM 0 HG3 GLU A 57 7.161 3.092 -2.165 1.00 63.13 H new ATOM 810 N ALA A 58 3.969 3.232 -0.049 1.00 64.40 N ATOM 811 CA ALA A 58 2.747 3.677 -0.707 1.00 24.21 C ATOM 812 C ALA A 58 2.375 5.091 -0.276 1.00 31.12 C ATOM 813 O ALA A 58 2.134 5.962 -1.112 1.00 20.33 O ATOM 814 CB ALA A 58 1.607 2.714 -0.410 1.00 2.40 C ATOM 0 H ALA A 58 3.834 2.479 0.625 1.00 64.40 H new ATOM 0 HA ALA A 58 2.926 3.689 -1.782 1.00 24.21 H new ATOM 0 HB1 ALA A 58 0.701 3.059 -0.908 1.00 2.40 H new ATOM 0 HB2 ALA A 58 1.866 1.720 -0.775 1.00 2.40 H new ATOM 0 HB3 ALA A 58 1.437 2.672 0.666 1.00 2.40 H new ATOM 820 N ALA A 59 2.330 5.313 1.034 1.00 24.44 N ATOM 821 CA ALA A 59 1.989 6.621 1.575 1.00 13.15 C ATOM 822 C ALA A 59 2.982 7.683 1.112 1.00 54.53 C ATOM 823 O ALA A 59 2.608 8.830 0.864 1.00 72.14 O ATOM 824 CB ALA A 59 1.942 6.568 3.095 1.00 73.14 C ATOM 0 H ALA A 59 2.526 4.603 1.739 1.00 24.44 H new ATOM 0 HA ALA A 59 1.003 6.895 1.201 1.00 13.15 H new ATOM 0 HB1 ALA A 59 1.686 7.553 3.486 1.00 73.14 H new ATOM 0 HB2 ALA A 59 1.189 5.845 3.411 1.00 73.14 H new ATOM 0 HB3 ALA A 59 2.917 6.268 3.479 1.00 73.14 H new ATOM 830 N ARG A 60 4.247 7.294 1.000 1.00 43.10 N ATOM 831 CA ARG A 60 5.293 8.214 0.568 1.00 22.25 C ATOM 832 C ARG A 60 4.993 8.765 -0.823 1.00 14.03 C ATOM 833 O ARG A 60 5.128 9.963 -1.069 1.00 11.21 O ATOM 834 CB ARG A 60 6.652 7.510 0.568 1.00 65.11 C ATOM 835 CG ARG A 60 7.833 8.466 0.536 1.00 60.35 C ATOM 836 CD ARG A 60 8.485 8.500 -0.836 1.00 22.14 C ATOM 837 NE ARG A 60 7.960 9.582 -1.665 1.00 2.34 N ATOM 838 CZ ARG A 60 8.520 9.972 -2.806 1.00 52.24 C ATOM 839 NH1 ARG A 60 9.616 9.371 -3.250 1.00 72.13 N ATOM 840 NH2 ARG A 60 7.983 10.964 -3.504 1.00 24.12 N ATOM 0 H ARG A 60 4.573 6.349 1.202 1.00 43.10 H new ATOM 0 HA ARG A 60 5.323 9.047 1.270 1.00 22.25 H new ATOM 0 HB2 ARG A 60 6.727 6.883 1.456 1.00 65.11 H new ATOM 0 HB3 ARG A 60 6.708 6.847 -0.296 1.00 65.11 H new ATOM 0 HG2 ARG A 60 7.499 9.468 0.806 1.00 60.35 H new ATOM 0 HG3 ARG A 60 8.568 8.163 1.282 1.00 60.35 H new ATOM 0 HD2 ARG A 60 9.562 8.620 -0.722 1.00 22.14 H new ATOM 0 HD3 ARG A 60 8.322 7.547 -1.339 1.00 22.14 H new ATOM 0 HE ARG A 60 7.118 10.065 -1.351 1.00 2.34 H new ATOM 0 HH11 ARG A 60 10.031 8.608 -2.716 1.00 72.13 H new ATOM 0 HH12 ARG A 60 10.044 9.672 -4.126 1.00 72.13 H new ATOM 0 HH21 ARG A 60 7.140 11.428 -3.165 1.00 24.12 H new ATOM 0 HH22 ARG A 60 8.413 11.263 -4.379 1.00 24.12 H new ATOM 851 N ALA A 61 4.586 7.881 -1.729 1.00 53.14 N ATOM 852 CA ALA A 61 4.266 8.280 -3.094 1.00 53.15 C ATOM 853 C ALA A 61 2.996 9.123 -3.136 1.00 10.12 C ATOM 854 O ALA A 61 2.899 10.077 -3.907 1.00 21.20 O ATOM 855 CB ALA A 61 4.115 7.052 -3.980 1.00 5.32 C ATOM 0 H ALA A 61 4.470 6.885 -1.542 1.00 53.14 H new ATOM 0 HA ALA A 61 5.088 8.889 -3.471 1.00 53.15 H new ATOM 0 HB1 ALA A 61 3.876 7.364 -4.997 1.00 5.32 H new ATOM 0 HB2 ALA A 61 5.048 6.489 -3.983 1.00 5.32 H new ATOM 0 HB3 ALA A 61 3.312 6.422 -3.596 1.00 5.32 H new ATOM 861 N MET A 62 2.025 8.764 -2.302 1.00 2.51 N ATOM 862 CA MET A 62 0.761 9.490 -2.245 1.00 74.34 C ATOM 863 C MET A 62 0.946 10.855 -1.591 1.00 35.11 C ATOM 864 O MET A 62 0.149 11.768 -1.801 1.00 21.03 O ATOM 865 CB MET A 62 -0.282 8.679 -1.474 1.00 71.23 C ATOM 866 CG MET A 62 -0.613 7.343 -2.119 1.00 11.20 C ATOM 867 SD MET A 62 -1.275 7.523 -3.787 1.00 24.23 S ATOM 868 CE MET A 62 -2.896 8.198 -3.437 1.00 42.14 C ATOM 0 H MET A 62 2.089 7.976 -1.657 1.00 2.51 H new ATOM 0 HA MET A 62 0.411 9.642 -3.266 1.00 74.34 H new ATOM 0 HB2 MET A 62 0.082 8.504 -0.462 1.00 71.23 H new ATOM 0 HB3 MET A 62 -1.196 9.267 -1.387 1.00 71.23 H new ATOM 0 HG2 MET A 62 0.286 6.728 -2.153 1.00 11.20 H new ATOM 0 HG3 MET A 62 -1.338 6.814 -1.500 1.00 11.20 H new ATOM 0 HE1 MET A 62 -3.437 8.348 -4.371 1.00 42.14 H new ATOM 0 HE2 MET A 62 -3.450 7.505 -2.804 1.00 42.14 H new ATOM 0 HE3 MET A 62 -2.789 9.153 -2.922 1.00 42.14 H new ATOM 876 N GLY A 63 2.004 10.986 -0.795 1.00 40.03 N ATOM 877 CA GLY A 63 2.275 12.243 -0.123 1.00 75.41 C ATOM 878 C GLY A 63 1.714 12.279 1.285 1.00 52.35 C ATOM 879 O GLY A 63 1.568 13.350 1.876 1.00 74.14 O ATOM 0 H GLY A 63 2.677 10.244 -0.604 1.00 40.03 H new ATOM 0 HA2 GLY A 63 3.352 12.407 -0.086 1.00 75.41 H new ATOM 0 HA3 GLY A 63 1.847 13.061 -0.703 1.00 75.41 H new ATOM 883 N LEU A 64 1.396 11.107 1.824 1.00 35.33 N ATOM 884 CA LEU A 64 0.846 11.008 3.171 1.00 54.10 C ATOM 885 C LEU A 64 1.934 11.210 4.220 1.00 73.41 C ATOM 886 O LEU A 64 3.030 11.675 3.911 1.00 4.44 O ATOM 887 CB LEU A 64 0.174 9.649 3.371 1.00 23.33 C ATOM 888 CG LEU A 64 -0.693 9.152 2.215 1.00 44.50 C ATOM 889 CD1 LEU A 64 -1.583 8.005 2.668 1.00 50.21 C ATOM 890 CD2 LEU A 64 -1.532 10.289 1.651 1.00 53.24 C ATOM 0 H LEU A 64 1.510 10.212 1.348 1.00 35.33 H new ATOM 0 HA LEU A 64 0.101 11.795 3.291 1.00 54.10 H new ATOM 0 HB2 LEU A 64 0.950 8.907 3.562 1.00 23.33 H new ATOM 0 HB3 LEU A 64 -0.445 9.701 4.267 1.00 23.33 H new ATOM 0 HG LEU A 64 -0.036 8.785 1.426 1.00 44.50 H new ATOM 0 HD11 LEU A 64 -2.193 7.665 1.831 1.00 50.21 H new ATOM 0 HD12 LEU A 64 -0.963 7.182 3.023 1.00 50.21 H new ATOM 0 HD13 LEU A 64 -2.232 8.345 3.475 1.00 50.21 H new ATOM 0 HD21 LEU A 64 -2.143 9.917 0.829 1.00 53.24 H new ATOM 0 HD22 LEU A 64 -2.179 10.686 2.433 1.00 53.24 H new ATOM 0 HD23 LEU A 64 -0.876 11.079 1.287 1.00 53.24 H new ATOM 901 N SER A 65 1.625 10.854 5.464 1.00 65.20 N ATOM 902 CA SER A 65 2.577 10.997 6.559 1.00 53.13 C ATOM 903 C SER A 65 2.206 10.082 7.722 1.00 14.33 C ATOM 904 O SER A 65 2.822 9.036 7.924 1.00 44.11 O ATOM 905 CB SER A 65 2.625 12.451 7.034 1.00 21.42 C ATOM 906 OG SER A 65 3.147 12.540 8.348 1.00 0.52 O ATOM 0 H SER A 65 0.723 10.465 5.738 1.00 65.20 H new ATOM 0 HA SER A 65 3.562 10.710 6.192 1.00 53.13 H new ATOM 0 HB2 SER A 65 3.241 13.039 6.354 1.00 21.42 H new ATOM 0 HB3 SER A 65 1.623 12.879 7.007 1.00 21.42 H new ATOM 0 HG SER A 65 3.169 13.479 8.628 1.00 0.52 H new ATOM 911 N ALA A 66 1.196 10.486 8.485 1.00 34.34 N ATOM 912 CA ALA A 66 0.742 9.702 9.628 1.00 11.31 C ATOM 913 C ALA A 66 -0.156 8.552 9.183 1.00 13.33 C ATOM 914 O ALA A 66 -0.452 7.646 9.962 1.00 31.12 O ATOM 915 CB ALA A 66 0.009 10.593 10.621 1.00 63.03 C ATOM 0 H ALA A 66 0.677 11.351 8.333 1.00 34.34 H new ATOM 0 HA ALA A 66 1.618 9.276 10.117 1.00 11.31 H new ATOM 0 HB1 ALA A 66 -0.324 9.995 11.469 1.00 63.03 H new ATOM 0 HB2 ALA A 66 0.681 11.377 10.971 1.00 63.03 H new ATOM 0 HB3 ALA A 66 -0.855 11.046 10.135 1.00 63.03 H new ATOM 921 N VAL A 67 -0.586 8.596 7.926 1.00 74.23 N ATOM 922 CA VAL A 67 -1.450 7.557 7.378 1.00 33.14 C ATOM 923 C VAL A 67 -0.766 6.195 7.419 1.00 75.31 C ATOM 924 O VAL A 67 -1.417 5.158 7.295 1.00 22.23 O ATOM 925 CB VAL A 67 -1.854 7.872 5.926 1.00 71.31 C ATOM 926 CG1 VAL A 67 -2.716 6.755 5.357 1.00 32.12 C ATOM 927 CG2 VAL A 67 -2.580 9.207 5.853 1.00 63.04 C ATOM 0 H VAL A 67 -0.350 9.339 7.268 1.00 74.23 H new ATOM 0 HA VAL A 67 -2.345 7.530 7.999 1.00 33.14 H new ATOM 0 HB VAL A 67 -0.949 7.943 5.323 1.00 71.31 H new ATOM 0 HG11 VAL A 67 -2.992 6.995 4.330 1.00 32.12 H new ATOM 0 HG12 VAL A 67 -2.157 5.820 5.373 1.00 32.12 H new ATOM 0 HG13 VAL A 67 -3.618 6.649 5.960 1.00 32.12 H new ATOM 0 HG21 VAL A 67 -2.858 9.414 4.820 1.00 63.04 H new ATOM 0 HG22 VAL A 67 -3.478 9.167 6.470 1.00 63.04 H new ATOM 0 HG23 VAL A 67 -1.925 9.998 6.218 1.00 63.04 H new ATOM 937 N ALA A 68 0.552 6.206 7.597 1.00 63.33 N ATOM 938 CA ALA A 68 1.324 4.971 7.657 1.00 43.10 C ATOM 939 C ALA A 68 0.587 3.901 8.455 1.00 71.15 C ATOM 940 O ALA A 68 0.501 3.976 9.680 1.00 61.55 O ATOM 941 CB ALA A 68 2.693 5.236 8.265 1.00 23.54 C ATOM 0 H ALA A 68 1.106 7.056 7.702 1.00 63.33 H new ATOM 0 HA ALA A 68 1.454 4.602 6.640 1.00 43.10 H new ATOM 0 HB1 ALA A 68 3.260 4.306 8.304 1.00 23.54 H new ATOM 0 HB2 ALA A 68 3.229 5.962 7.653 1.00 23.54 H new ATOM 0 HB3 ALA A 68 2.573 5.631 9.274 1.00 23.54 H new ATOM 947 N MET A 69 0.056 2.906 7.752 1.00 41.24 N ATOM 948 CA MET A 69 -0.674 1.820 8.395 1.00 53.13 C ATOM 949 C MET A 69 -1.942 2.339 9.066 1.00 12.33 C ATOM 950 O MET A 69 -1.972 2.605 10.269 1.00 2.23 O ATOM 951 CB MET A 69 0.213 1.121 9.427 1.00 1.24 C ATOM 952 CG MET A 69 1.652 0.944 8.969 1.00 32.41 C ATOM 953 SD MET A 69 2.413 -0.551 9.632 1.00 53.34 S ATOM 954 CE MET A 69 1.334 -1.808 8.955 1.00 64.55 C ATOM 0 H MET A 69 0.118 2.829 6.737 1.00 41.24 H new ATOM 0 HA MET A 69 -0.959 1.102 7.626 1.00 53.13 H new ATOM 0 HB2 MET A 69 0.203 1.697 10.353 1.00 1.24 H new ATOM 0 HB3 MET A 69 -0.210 0.143 9.655 1.00 1.24 H new ATOM 0 HG2 MET A 69 1.681 0.910 7.880 1.00 32.41 H new ATOM 0 HG3 MET A 69 2.236 1.811 9.276 1.00 32.41 H new ATOM 0 HE1 MET A 69 1.903 -2.721 8.782 1.00 64.55 H new ATOM 0 HE2 MET A 69 0.526 -2.011 9.658 1.00 64.55 H new ATOM 0 HE3 MET A 69 0.914 -1.458 8.012 1.00 64.55 H new ATOM 962 N PRO A 70 -3.013 2.490 8.274 1.00 31.33 N ATOM 963 CA PRO A 70 -4.303 2.980 8.772 1.00 24.30 C ATOM 964 C PRO A 70 -4.994 1.969 9.680 1.00 53.40 C ATOM 965 O PRO A 70 -5.814 2.336 10.523 1.00 63.33 O ATOM 966 CB PRO A 70 -5.117 3.194 7.493 1.00 62.42 C ATOM 967 CG PRO A 70 -4.514 2.264 6.499 1.00 25.23 C ATOM 968 CD PRO A 70 -3.049 2.194 6.832 1.00 2.32 C ATOM 0 HA PRO A 70 -4.192 3.879 9.379 1.00 24.30 H new ATOM 0 HB2 PRO A 70 -6.172 2.972 7.654 1.00 62.42 H new ATOM 0 HB3 PRO A 70 -5.057 4.228 7.154 1.00 62.42 H new ATOM 0 HG2 PRO A 70 -4.975 1.278 6.558 1.00 25.23 H new ATOM 0 HG3 PRO A 70 -4.666 2.627 5.483 1.00 25.23 H new ATOM 0 HD2 PRO A 70 -2.634 1.210 6.613 1.00 2.32 H new ATOM 0 HD3 PRO A 70 -2.471 2.919 6.258 1.00 2.32 H new ATOM 973 N THR A 71 -4.658 0.695 9.506 1.00 44.33 N ATOM 974 CA THR A 71 -5.247 -0.368 10.310 1.00 23.31 C ATOM 975 C THR A 71 -4.618 -1.718 9.983 1.00 22.05 C ATOM 976 O THR A 71 -3.797 -1.826 9.074 1.00 24.51 O ATOM 977 CB THR A 71 -6.770 -0.460 10.092 1.00 10.44 C ATOM 978 OG1 THR A 71 -7.344 -1.373 11.032 1.00 50.25 O ATOM 979 CG2 THR A 71 -7.088 -0.915 8.675 1.00 13.43 C ATOM 0 H THR A 71 -3.980 0.374 8.815 1.00 44.33 H new ATOM 0 HA THR A 71 -5.050 -0.120 11.353 1.00 23.31 H new ATOM 0 HB THR A 71 -7.197 0.532 10.242 1.00 10.44 H new ATOM 0 HG1 THR A 71 -8.312 -1.425 10.888 1.00 50.25 H new ATOM 0 HG21 THR A 71 -8.169 -0.972 8.545 1.00 13.43 H new ATOM 0 HG22 THR A 71 -6.674 -0.202 7.962 1.00 13.43 H new ATOM 0 HG23 THR A 71 -6.649 -1.897 8.501 1.00 13.43 H new ATOM 987 N ASN A 72 -5.008 -2.744 10.732 1.00 62.33 N ATOM 988 CA ASN A 72 -4.481 -4.088 10.521 1.00 34.44 C ATOM 989 C ASN A 72 -4.575 -4.486 9.052 1.00 53.35 C ATOM 990 O ASN A 72 -5.563 -4.189 8.380 1.00 41.41 O ATOM 991 CB ASN A 72 -5.241 -5.097 11.385 1.00 21.52 C ATOM 992 CG ASN A 72 -4.556 -6.450 11.430 1.00 51.15 C ATOM 993 OD1 ASN A 72 -3.351 -6.557 11.200 1.00 52.44 O ATOM 994 ND2 ASN A 72 -5.323 -7.491 11.728 1.00 74.24 N ATOM 0 H ASN A 72 -5.687 -2.671 11.490 1.00 62.33 H new ATOM 0 HA ASN A 72 -3.430 -4.089 10.811 1.00 34.44 H new ATOM 0 HB2 ASN A 72 -5.335 -4.706 12.398 1.00 21.52 H new ATOM 0 HB3 ASN A 72 -6.252 -5.217 10.995 1.00 21.52 H new ATOM 0 HD21 ASN A 72 -4.918 -8.426 11.774 1.00 74.24 H new ATOM 0 HD22 ASN A 72 -6.317 -7.356 11.911 1.00 74.24 H new ATOM 1000 N PHE A 73 -3.542 -5.160 8.559 1.00 1.01 N ATOM 1001 CA PHE A 73 -3.508 -5.598 7.168 1.00 71.43 C ATOM 1002 C PHE A 73 -3.417 -7.119 7.080 1.00 61.22 C ATOM 1003 O PHE A 73 -3.720 -7.710 6.045 1.00 62.42 O ATOM 1004 CB PHE A 73 -2.323 -4.962 6.439 1.00 71.33 C ATOM 1005 CG PHE A 73 -2.572 -3.544 6.016 1.00 45.44 C ATOM 1006 CD1 PHE A 73 -3.590 -3.241 5.126 1.00 43.13 C ATOM 1007 CD2 PHE A 73 -1.789 -2.512 6.506 1.00 4.32 C ATOM 1008 CE1 PHE A 73 -3.821 -1.936 4.733 1.00 61.15 C ATOM 1009 CE2 PHE A 73 -2.015 -1.205 6.117 1.00 14.32 C ATOM 1010 CZ PHE A 73 -3.034 -0.917 5.230 1.00 25.14 C ATOM 0 H PHE A 73 -2.717 -5.415 9.102 1.00 1.01 H new ATOM 0 HA PHE A 73 -4.433 -5.278 6.689 1.00 71.43 H new ATOM 0 HB2 PHE A 73 -1.449 -4.991 7.089 1.00 71.33 H new ATOM 0 HB3 PHE A 73 -2.085 -5.559 5.559 1.00 71.33 H new ATOM 0 HD1 PHE A 73 -4.210 -4.034 4.735 1.00 43.13 H new ATOM 0 HD2 PHE A 73 -0.992 -2.731 7.201 1.00 4.32 H new ATOM 0 HE1 PHE A 73 -4.617 -1.714 4.037 1.00 61.15 H new ATOM 0 HE2 PHE A 73 -1.396 -0.410 6.506 1.00 14.32 H new ATOM 0 HZ PHE A 73 -3.214 0.104 4.926 1.00 25.14 H new ATOM 1019 N ALA A 74 -2.997 -7.746 8.174 1.00 35.12 N ATOM 1020 CA ALA A 74 -2.867 -9.196 8.222 1.00 32.51 C ATOM 1021 C ALA A 74 -4.176 -9.878 7.834 1.00 2.13 C ATOM 1022 O ALA A 74 -4.192 -11.056 7.477 1.00 21.21 O ATOM 1023 CB ALA A 74 -2.429 -9.642 9.609 1.00 60.33 C ATOM 0 H ALA A 74 -2.741 -7.271 9.040 1.00 35.12 H new ATOM 0 HA ALA A 74 -2.105 -9.491 7.500 1.00 32.51 H new ATOM 0 HB1 ALA A 74 -2.336 -10.728 9.630 1.00 60.33 H new ATOM 0 HB2 ALA A 74 -1.466 -9.191 9.849 1.00 60.33 H new ATOM 0 HB3 ALA A 74 -3.170 -9.327 10.343 1.00 60.33 H new ATOM 1029 N THR A 75 -5.272 -9.130 7.908 1.00 4.42 N ATOM 1030 CA THR A 75 -6.585 -9.662 7.566 1.00 10.52 C ATOM 1031 C THR A 75 -7.258 -8.816 6.491 1.00 54.20 C ATOM 1032 O THR A 75 -8.445 -8.980 6.212 1.00 55.22 O ATOM 1033 CB THR A 75 -7.502 -9.728 8.801 1.00 61.45 C ATOM 1034 OG1 THR A 75 -8.785 -10.247 8.431 1.00 73.32 O ATOM 1035 CG2 THR A 75 -7.667 -8.352 9.427 1.00 55.42 C ATOM 0 H THR A 75 -5.276 -8.153 8.202 1.00 4.42 H new ATOM 0 HA THR A 75 -6.428 -10.671 7.184 1.00 10.52 H new ATOM 0 HB THR A 75 -7.040 -10.390 9.534 1.00 61.45 H new ATOM 0 HG1 THR A 75 -8.914 -10.142 7.465 1.00 73.32 H new ATOM 0 HG21 THR A 75 -8.319 -8.424 10.298 1.00 55.42 H new ATOM 0 HG22 THR A 75 -6.692 -7.973 9.734 1.00 55.42 H new ATOM 0 HG23 THR A 75 -8.108 -7.672 8.699 1.00 55.42 H new ATOM 1043 N ALA A 76 -6.492 -7.910 5.891 1.00 50.04 N ATOM 1044 CA ALA A 76 -7.016 -7.040 4.845 1.00 35.00 C ATOM 1045 C ALA A 76 -6.521 -7.476 3.471 1.00 3.12 C ATOM 1046 O ALA A 76 -5.673 -8.362 3.356 1.00 3.04 O ATOM 1047 CB ALA A 76 -6.624 -5.595 5.116 1.00 43.21 C ATOM 0 H ALA A 76 -5.507 -7.760 6.111 1.00 50.04 H new ATOM 0 HA ALA A 76 -8.103 -7.117 4.852 1.00 35.00 H new ATOM 0 HB1 ALA A 76 -7.022 -4.956 4.327 1.00 43.21 H new ATOM 0 HB2 ALA A 76 -7.032 -5.282 6.077 1.00 43.21 H new ATOM 0 HB3 ALA A 76 -5.537 -5.511 5.138 1.00 43.21 H new ATOM 1053 N THR A 77 -7.055 -6.848 2.427 1.00 11.14 N ATOM 1054 CA THR A 77 -6.669 -7.172 1.060 1.00 43.12 C ATOM 1055 C THR A 77 -6.095 -5.952 0.347 1.00 64.41 C ATOM 1056 O THR A 77 -6.196 -4.829 0.839 1.00 12.22 O ATOM 1057 CB THR A 77 -7.864 -7.711 0.251 1.00 11.13 C ATOM 1058 OG1 THR A 77 -9.049 -6.979 0.584 1.00 44.22 O ATOM 1059 CG2 THR A 77 -8.081 -9.190 0.527 1.00 62.34 C ATOM 0 H THR A 77 -7.757 -6.112 2.503 1.00 11.14 H new ATOM 0 HA THR A 77 -5.904 -7.946 1.123 1.00 43.12 H new ATOM 0 HB THR A 77 -7.645 -7.585 -0.809 1.00 11.13 H new ATOM 0 HG1 THR A 77 -9.804 -7.326 0.065 1.00 44.22 H new ATOM 0 HG21 THR A 77 -8.930 -9.548 -0.055 1.00 62.34 H new ATOM 0 HG22 THR A 77 -7.187 -9.747 0.246 1.00 62.34 H new ATOM 0 HG23 THR A 77 -8.281 -9.336 1.588 1.00 62.34 H new ATOM 1067 N VAL A 78 -5.493 -6.182 -0.816 1.00 2.22 N ATOM 1068 CA VAL A 78 -4.905 -5.102 -1.598 1.00 1.55 C ATOM 1069 C VAL A 78 -5.923 -3.998 -1.863 1.00 21.13 C ATOM 1070 O VAL A 78 -5.578 -2.816 -1.894 1.00 41.12 O ATOM 1071 CB VAL A 78 -4.359 -5.615 -2.944 1.00 21.43 C ATOM 1072 CG1 VAL A 78 -3.468 -6.829 -2.730 1.00 42.10 C ATOM 1073 CG2 VAL A 78 -5.502 -5.943 -3.891 1.00 25.20 C ATOM 0 H VAL A 78 -5.400 -7.107 -1.237 1.00 2.22 H new ATOM 0 HA VAL A 78 -4.080 -4.699 -1.010 1.00 1.55 H new ATOM 0 HB VAL A 78 -3.757 -4.827 -3.397 1.00 21.43 H new ATOM 0 HG11 VAL A 78 -3.091 -7.178 -3.691 1.00 42.10 H new ATOM 0 HG12 VAL A 78 -2.630 -6.557 -2.089 1.00 42.10 H new ATOM 0 HG13 VAL A 78 -4.044 -7.624 -2.256 1.00 42.10 H new ATOM 0 HG21 VAL A 78 -5.098 -6.304 -4.837 1.00 25.20 H new ATOM 0 HG22 VAL A 78 -6.132 -6.714 -3.447 1.00 25.20 H new ATOM 0 HG23 VAL A 78 -6.096 -5.047 -4.068 1.00 25.20 H new ATOM 1083 N ARG A 79 -7.178 -4.391 -2.054 1.00 30.54 N ATOM 1084 CA ARG A 79 -8.246 -3.435 -2.317 1.00 31.22 C ATOM 1085 C ARG A 79 -8.491 -2.545 -1.102 1.00 13.20 C ATOM 1086 O ARG A 79 -8.741 -1.348 -1.239 1.00 52.53 O ATOM 1087 CB ARG A 79 -9.535 -4.169 -2.693 1.00 11.13 C ATOM 1088 CG ARG A 79 -10.595 -3.264 -3.300 1.00 72.22 C ATOM 1089 CD ARG A 79 -10.110 -2.626 -4.592 1.00 72.15 C ATOM 1090 NE ARG A 79 -11.052 -2.830 -5.690 1.00 32.12 N ATOM 1091 CZ ARG A 79 -12.243 -2.245 -5.756 1.00 11.55 C ATOM 1092 NH1 ARG A 79 -12.635 -1.421 -4.792 1.00 24.43 N ATOM 1093 NH2 ARG A 79 -13.043 -2.480 -6.787 1.00 1.54 N ATOM 0 H ARG A 79 -7.480 -5.365 -2.031 1.00 30.54 H new ATOM 0 HA ARG A 79 -7.938 -2.805 -3.151 1.00 31.22 H new ATOM 0 HB2 ARG A 79 -9.298 -4.963 -3.401 1.00 11.13 H new ATOM 0 HB3 ARG A 79 -9.944 -4.647 -1.803 1.00 11.13 H new ATOM 0 HG2 ARG A 79 -11.499 -3.841 -3.495 1.00 72.22 H new ATOM 0 HG3 ARG A 79 -10.862 -2.485 -2.586 1.00 72.22 H new ATOM 0 HD2 ARG A 79 -9.962 -1.558 -4.435 1.00 72.15 H new ATOM 0 HD3 ARG A 79 -9.141 -3.046 -4.863 1.00 72.15 H new ATOM 0 HE ARG A 79 -10.780 -3.456 -6.448 1.00 32.12 H new ATOM 0 HH11 ARG A 79 -12.021 -1.236 -3.999 1.00 24.43 H new ATOM 0 HH12 ARG A 79 -13.550 -0.973 -4.845 1.00 24.43 H new ATOM 0 HH21 ARG A 79 -12.744 -3.111 -7.531 1.00 1.54 H new ATOM 0 HH22 ARG A 79 -13.957 -2.030 -6.836 1.00 1.54 H new ATOM 1104 N GLU A 80 -8.417 -3.138 0.085 1.00 70.51 N ATOM 1105 CA GLU A 80 -8.632 -2.399 1.323 1.00 73.33 C ATOM 1106 C GLU A 80 -7.511 -1.391 1.556 1.00 41.54 C ATOM 1107 O GLU A 80 -7.764 -0.222 1.848 1.00 33.21 O ATOM 1108 CB GLU A 80 -8.721 -3.362 2.510 1.00 44.52 C ATOM 1109 CG GLU A 80 -10.134 -3.835 2.805 1.00 42.14 C ATOM 1110 CD GLU A 80 -10.415 -3.944 4.290 1.00 13.12 C ATOM 1111 OE1 GLU A 80 -10.600 -2.892 4.938 1.00 55.40 O ATOM 1112 OE2 GLU A 80 -10.449 -5.081 4.806 1.00 14.25 O ATOM 0 H GLU A 80 -8.210 -4.128 0.215 1.00 70.51 H new ATOM 0 HA GLU A 80 -9.573 -1.856 1.233 1.00 73.33 H new ATOM 0 HB2 GLU A 80 -8.091 -4.229 2.312 1.00 44.52 H new ATOM 0 HB3 GLU A 80 -8.319 -2.871 3.396 1.00 44.52 H new ATOM 0 HG2 GLU A 80 -10.846 -3.144 2.354 1.00 42.14 H new ATOM 0 HG3 GLU A 80 -10.293 -4.806 2.337 1.00 42.14 H new ATOM 1117 N MET A 81 -6.271 -1.851 1.424 1.00 71.11 N ATOM 1118 CA MET A 81 -5.112 -0.989 1.620 1.00 20.55 C ATOM 1119 C MET A 81 -5.094 0.140 0.594 1.00 72.13 C ATOM 1120 O MET A 81 -4.828 1.293 0.931 1.00 11.24 O ATOM 1121 CB MET A 81 -3.821 -1.804 1.520 1.00 25.34 C ATOM 1122 CG MET A 81 -2.560 -0.971 1.690 1.00 50.44 C ATOM 1123 SD MET A 81 -1.079 -1.832 1.131 1.00 10.45 S ATOM 1124 CE MET A 81 -0.738 -2.873 2.548 1.00 61.21 C ATOM 0 H MET A 81 -6.043 -2.815 1.182 1.00 71.11 H new ATOM 0 HA MET A 81 -5.181 -0.551 2.616 1.00 20.55 H new ATOM 0 HB2 MET A 81 -3.835 -2.586 2.279 1.00 25.34 H new ATOM 0 HB3 MET A 81 -3.790 -2.302 0.551 1.00 25.34 H new ATOM 0 HG2 MET A 81 -2.666 -0.040 1.133 1.00 50.44 H new ATOM 0 HG3 MET A 81 -2.445 -0.703 2.740 1.00 50.44 H new ATOM 0 HE1 MET A 81 0.339 -3.003 2.653 1.00 61.21 H new ATOM 0 HE2 MET A 81 -1.136 -2.404 3.448 1.00 61.21 H new ATOM 0 HE3 MET A 81 -1.209 -3.846 2.407 1.00 61.21 H new ATOM 1132 N ALA A 82 -5.380 -0.200 -0.658 1.00 71.11 N ATOM 1133 CA ALA A 82 -5.399 0.786 -1.732 1.00 71.15 C ATOM 1134 C ALA A 82 -6.562 1.757 -1.565 1.00 73.14 C ATOM 1135 O ALA A 82 -6.406 2.964 -1.750 1.00 61.23 O ATOM 1136 CB ALA A 82 -5.478 0.092 -3.084 1.00 31.12 C ATOM 0 H ALA A 82 -5.602 -1.151 -0.954 1.00 71.11 H new ATOM 0 HA ALA A 82 -4.473 1.358 -1.683 1.00 71.15 H new ATOM 0 HB1 ALA A 82 -5.491 0.840 -3.877 1.00 31.12 H new ATOM 0 HB2 ALA A 82 -4.611 -0.556 -3.211 1.00 31.12 H new ATOM 0 HB3 ALA A 82 -6.388 -0.506 -3.134 1.00 31.12 H new ATOM 1142 N GLU A 83 -7.728 1.223 -1.215 1.00 60.44 N ATOM 1143 CA GLU A 83 -8.919 2.044 -1.025 1.00 24.03 C ATOM 1144 C GLU A 83 -8.759 2.961 0.184 1.00 53.13 C ATOM 1145 O GLU A 83 -9.223 4.101 0.178 1.00 22.51 O ATOM 1146 CB GLU A 83 -10.153 1.158 -0.849 1.00 53.43 C ATOM 1147 CG GLU A 83 -10.685 0.588 -2.153 1.00 14.30 C ATOM 1148 CD GLU A 83 -11.522 1.587 -2.928 1.00 53.43 C ATOM 1149 OE1 GLU A 83 -12.336 2.295 -2.298 1.00 42.23 O ATOM 1150 OE2 GLU A 83 -11.364 1.661 -4.164 1.00 2.25 O ATOM 0 H GLU A 83 -7.874 0.226 -1.057 1.00 60.44 H new ATOM 0 HA GLU A 83 -9.050 2.662 -1.913 1.00 24.03 H new ATOM 0 HB2 GLU A 83 -9.907 0.336 -0.177 1.00 53.43 H new ATOM 0 HB3 GLU A 83 -10.941 1.738 -0.368 1.00 53.43 H new ATOM 0 HG2 GLU A 83 -9.848 0.264 -2.772 1.00 14.30 H new ATOM 0 HG3 GLU A 83 -11.286 -0.296 -1.940 1.00 14.30 H new ATOM 1155 N ALA A 84 -8.101 2.454 1.221 1.00 72.45 N ATOM 1156 CA ALA A 84 -7.880 3.225 2.438 1.00 1.23 C ATOM 1157 C ALA A 84 -6.990 4.433 2.166 1.00 13.54 C ATOM 1158 O ALA A 84 -7.264 5.538 2.637 1.00 44.45 O ATOM 1159 CB ALA A 84 -7.264 2.346 3.517 1.00 2.45 C ATOM 0 H ALA A 84 -7.711 1.512 1.243 1.00 72.45 H new ATOM 0 HA ALA A 84 -8.846 3.588 2.789 1.00 1.23 H new ATOM 0 HB1 ALA A 84 -7.105 2.936 4.420 1.00 2.45 H new ATOM 0 HB2 ALA A 84 -7.936 1.517 3.739 1.00 2.45 H new ATOM 0 HB3 ALA A 84 -6.309 1.955 3.166 1.00 2.45 H new ATOM 1165 N LEU A 85 -5.923 4.218 1.406 1.00 45.31 N ATOM 1166 CA LEU A 85 -4.991 5.290 1.070 1.00 75.23 C ATOM 1167 C LEU A 85 -5.632 6.288 0.112 1.00 31.03 C ATOM 1168 O LEU A 85 -5.508 7.500 0.289 1.00 34.23 O ATOM 1169 CB LEU A 85 -3.719 4.711 0.449 1.00 45.12 C ATOM 1170 CG LEU A 85 -2.819 3.907 1.386 1.00 32.44 C ATOM 1171 CD1 LEU A 85 -1.724 3.201 0.601 1.00 51.13 C ATOM 1172 CD2 LEU A 85 -2.215 4.810 2.451 1.00 73.13 C ATOM 0 H LEU A 85 -5.680 3.310 1.010 1.00 45.31 H new ATOM 0 HA LEU A 85 -4.731 5.814 1.990 1.00 75.23 H new ATOM 0 HB2 LEU A 85 -4.005 4.070 -0.385 1.00 45.12 H new ATOM 0 HB3 LEU A 85 -3.135 5.533 0.034 1.00 45.12 H new ATOM 0 HG LEU A 85 -3.428 3.151 1.881 1.00 32.44 H new ATOM 0 HD11 LEU A 85 -1.093 2.634 1.286 1.00 51.13 H new ATOM 0 HD12 LEU A 85 -2.175 2.523 -0.123 1.00 51.13 H new ATOM 0 HD13 LEU A 85 -1.118 3.940 0.077 1.00 51.13 H new ATOM 0 HD21 LEU A 85 -1.577 4.220 3.109 1.00 73.13 H new ATOM 0 HD22 LEU A 85 -1.621 5.589 1.973 1.00 73.13 H new ATOM 0 HD23 LEU A 85 -3.013 5.268 3.035 1.00 73.13 H new ATOM 1183 N GLU A 86 -6.318 5.771 -0.902 1.00 3.12 N ATOM 1184 CA GLU A 86 -6.979 6.618 -1.887 1.00 20.10 C ATOM 1185 C GLU A 86 -8.081 7.451 -1.238 1.00 22.43 C ATOM 1186 O GLU A 86 -8.349 8.578 -1.653 1.00 63.31 O ATOM 1187 CB GLU A 86 -7.567 5.765 -3.014 1.00 2.32 C ATOM 1188 CG GLU A 86 -9.037 5.433 -2.823 1.00 35.32 C ATOM 1189 CD GLU A 86 -9.953 6.547 -3.288 1.00 1.50 C ATOM 1190 OE1 GLU A 86 -9.894 6.902 -4.485 1.00 73.13 O ATOM 1191 OE2 GLU A 86 -10.728 7.066 -2.457 1.00 21.24 O ATOM 0 H GLU A 86 -6.430 4.770 -1.063 1.00 3.12 H new ATOM 0 HA GLU A 86 -6.233 7.295 -2.304 1.00 20.10 H new ATOM 0 HB2 GLU A 86 -7.442 6.292 -3.960 1.00 2.32 H new ATOM 0 HB3 GLU A 86 -7.000 4.837 -3.089 1.00 2.32 H new ATOM 0 HG2 GLU A 86 -9.274 4.521 -3.371 1.00 35.32 H new ATOM 0 HG3 GLU A 86 -9.225 5.229 -1.769 1.00 35.32 H new ATOM 1196 N ALA A 87 -8.716 6.887 -0.215 1.00 43.13 N ATOM 1197 CA ALA A 87 -9.786 7.576 0.493 1.00 51.35 C ATOM 1198 C ALA A 87 -9.255 8.793 1.243 1.00 71.10 C ATOM 1199 O ALA A 87 -9.882 9.852 1.251 1.00 1.44 O ATOM 1200 CB ALA A 87 -10.483 6.623 1.454 1.00 50.41 C ATOM 0 H ALA A 87 -8.507 5.954 0.141 1.00 43.13 H new ATOM 0 HA ALA A 87 -10.509 7.924 -0.244 1.00 51.35 H new ATOM 0 HB1 ALA A 87 -11.280 7.152 1.976 1.00 50.41 H new ATOM 0 HB2 ALA A 87 -10.906 5.788 0.895 1.00 50.41 H new ATOM 0 HB3 ALA A 87 -9.762 6.246 2.179 1.00 50.41 H new