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= -2.03 X(o=-2,f=-2) USER MOD Single : A 38 SER OG : rot -160:sc= -0.592 USER MOD Single : A 45 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 46 MET CE :methyl 163:sc= -3.36! (180deg=-4.17!) 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 X(o=0,f=-0.056) USER MOD Single : A 62 MET CE :methyl 161:sc= -2.95! (180deg=-3.98!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 69 MET CE :methyl 152:sc= -0.414 (180deg=-2.01!) USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.0516 USER MOD Single : A 72 ASN : amide:sc= -0.0305 K(o=-0.031,f=-3.2!) USER MOD Single : A 75 THR OG1 : rot -53:sc= 1.14 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl -118:sc= -1.44 (180deg=-3.3!) USER MOD ----------------------------------------------------------------- ATOM 173 N ALA A 15 -3.977 5.382 -7.093 1.00 44.50 N ATOM 174 CA ALA A 15 -3.908 4.838 -5.743 1.00 20.11 C ATOM 175 C ALA A 15 -4.055 3.320 -5.755 1.00 3.44 C ATOM 176 O ALA A 15 -3.374 2.614 -5.009 1.00 1.14 O ATOM 177 CB ALA A 15 -4.981 5.466 -4.866 1.00 11.32 C ATOM 0 HA ALA A 15 -2.929 5.079 -5.330 1.00 20.11 H new ATOM 0 HB1 ALA A 15 -4.918 5.051 -3.860 1.00 11.32 H new ATOM 0 HB2 ALA A 15 -4.831 6.545 -4.823 1.00 11.32 H new ATOM 0 HB3 ALA A 15 -5.964 5.253 -5.286 1.00 11.32 H new ATOM 183 N LEU A 16 -4.946 2.823 -6.606 1.00 32.41 N ATOM 184 CA LEU A 16 -5.182 1.387 -6.714 1.00 21.04 C ATOM 185 C LEU A 16 -3.974 0.681 -7.321 1.00 21.01 C ATOM 186 O LEU A 16 -3.538 -0.359 -6.827 1.00 14.31 O ATOM 187 CB LEU A 16 -6.424 1.118 -7.565 1.00 15.01 C ATOM 188 CG LEU A 16 -7.322 -0.029 -7.098 1.00 23.20 C ATOM 189 CD1 LEU A 16 -6.531 -1.324 -7.012 1.00 31.41 C ATOM 190 CD2 LEU A 16 -7.954 0.302 -5.754 1.00 60.12 C ATOM 0 H LEU A 16 -5.517 3.392 -7.231 1.00 32.41 H new ATOM 0 HA LEU A 16 -5.344 0.993 -5.710 1.00 21.04 H new ATOM 0 HB2 LEU A 16 -7.021 2.029 -7.599 1.00 15.01 H new ATOM 0 HB3 LEU A 16 -6.103 0.909 -8.585 1.00 15.01 H new ATOM 0 HG LEU A 16 -8.119 -0.162 -7.829 1.00 23.20 H new ATOM 0 HD11 LEU A 16 -7.186 -2.129 -6.678 1.00 31.41 H new ATOM 0 HD12 LEU A 16 -6.126 -1.569 -7.994 1.00 31.41 H new ATOM 0 HD13 LEU A 16 -5.713 -1.204 -6.302 1.00 31.41 H new ATOM 0 HD21 LEU A 16 -8.589 -0.525 -5.437 1.00 60.12 H new ATOM 0 HD22 LEU A 16 -7.171 0.462 -5.013 1.00 60.12 H new ATOM 0 HD23 LEU A 16 -8.555 1.206 -5.848 1.00 60.12 H new ATOM 201 N GLU A 17 -3.436 1.255 -8.393 1.00 34.22 N ATOM 202 CA GLU A 17 -2.276 0.680 -9.065 1.00 22.30 C ATOM 203 C GLU A 17 -1.022 0.826 -8.207 1.00 63.22 C ATOM 204 O GLU A 17 -0.142 -0.036 -8.223 1.00 10.45 O ATOM 205 CB GLU A 17 -2.060 1.353 -10.421 1.00 45.14 C ATOM 206 CG GLU A 17 -1.441 2.737 -10.323 1.00 23.35 C ATOM 207 CD GLU A 17 -1.050 3.299 -11.677 1.00 41.14 C ATOM 208 OE1 GLU A 17 0.077 3.017 -12.134 1.00 21.12 O ATOM 209 OE2 GLU A 17 -1.873 4.021 -12.278 1.00 3.53 O ATOM 0 H GLU A 17 -3.784 2.116 -8.814 1.00 34.22 H new ATOM 0 HA GLU A 17 -2.467 -0.382 -9.220 1.00 22.30 H new ATOM 0 HB2 GLU A 17 -1.418 0.720 -11.033 1.00 45.14 H new ATOM 0 HB3 GLU A 17 -3.018 1.428 -10.936 1.00 45.14 H new ATOM 0 HG2 GLU A 17 -2.148 3.414 -9.843 1.00 23.35 H new ATOM 0 HG3 GLU A 17 -0.559 2.692 -9.684 1.00 23.35 H new ATOM 214 N LEU A 18 -0.949 1.922 -7.460 1.00 33.25 N ATOM 215 CA LEU A 18 0.197 2.182 -6.595 1.00 25.13 C ATOM 216 C LEU A 18 0.317 1.114 -5.513 1.00 0.11 C ATOM 217 O LEU A 18 1.372 0.504 -5.342 1.00 34.00 O ATOM 218 CB LEU A 18 0.073 3.564 -5.953 1.00 12.42 C ATOM 219 CG LEU A 18 1.317 4.085 -5.233 1.00 13.22 C ATOM 220 CD1 LEU A 18 1.378 5.604 -5.302 1.00 63.24 C ATOM 221 CD2 LEU A 18 1.333 3.614 -3.786 1.00 4.32 C ATOM 0 H LEU A 18 -1.669 2.644 -7.436 1.00 33.25 H new ATOM 0 HA LEU A 18 1.098 2.153 -7.208 1.00 25.13 H new ATOM 0 HB2 LEU A 18 -0.199 4.280 -6.729 1.00 12.42 H new ATOM 0 HB3 LEU A 18 -0.751 3.538 -5.240 1.00 12.42 H new ATOM 0 HG LEU A 18 2.198 3.684 -5.734 1.00 13.22 H new ATOM 0 HD11 LEU A 18 2.270 5.956 -4.784 1.00 63.24 H new ATOM 0 HD12 LEU A 18 1.415 5.920 -6.345 1.00 63.24 H new ATOM 0 HD13 LEU A 18 0.492 6.026 -4.827 1.00 63.24 H new ATOM 0 HD21 LEU A 18 2.226 3.994 -3.289 1.00 4.32 H new ATOM 0 HD22 LEU A 18 0.446 3.985 -3.273 1.00 4.32 H new ATOM 0 HD23 LEU A 18 1.339 2.524 -3.758 1.00 4.32 H new ATOM 232 N VAL A 19 -0.774 0.892 -4.786 1.00 22.12 N ATOM 233 CA VAL A 19 -0.793 -0.106 -3.722 1.00 11.44 C ATOM 234 C VAL A 19 -0.561 -1.506 -4.278 1.00 73.41 C ATOM 235 O VAL A 19 0.291 -2.247 -3.788 1.00 12.45 O ATOM 236 CB VAL A 19 -2.128 -0.083 -2.956 1.00 73.22 C ATOM 237 CG1 VAL A 19 -2.438 -1.457 -2.382 1.00 63.42 C ATOM 238 CG2 VAL A 19 -2.093 0.967 -1.855 1.00 3.32 C ATOM 0 H VAL A 19 -1.655 1.389 -4.914 1.00 22.12 H new ATOM 0 HA VAL A 19 0.015 0.147 -3.035 1.00 11.44 H new ATOM 0 HB VAL A 19 -2.922 0.181 -3.654 1.00 73.22 H new ATOM 0 HG11 VAL A 19 -3.385 -1.421 -1.844 1.00 63.42 H new ATOM 0 HG12 VAL A 19 -2.508 -2.183 -3.192 1.00 63.42 H new ATOM 0 HG13 VAL A 19 -1.643 -1.753 -1.698 1.00 63.42 H new ATOM 0 HG21 VAL A 19 -3.045 0.969 -1.324 1.00 3.32 H new ATOM 0 HG22 VAL A 19 -1.289 0.735 -1.157 1.00 3.32 H new ATOM 0 HG23 VAL A 19 -1.920 1.949 -2.294 1.00 3.32 H new ATOM 248 N ARG A 20 -1.327 -1.864 -5.303 1.00 41.33 N ATOM 249 CA ARG A 20 -1.207 -3.177 -5.925 1.00 12.11 C ATOM 250 C ARG A 20 0.209 -3.402 -6.449 1.00 45.51 C ATOM 251 O ARG A 20 0.754 -4.501 -6.342 1.00 53.22 O ATOM 252 CB ARG A 20 -2.214 -3.317 -7.068 1.00 5.13 C ATOM 253 CG ARG A 20 -3.582 -3.803 -6.619 1.00 23.42 C ATOM 254 CD ARG A 20 -4.592 -3.749 -7.754 1.00 74.41 C ATOM 255 NE ARG A 20 -4.365 -4.802 -8.740 1.00 50.14 N ATOM 256 CZ ARG A 20 -4.872 -4.781 -9.967 1.00 53.44 C ATOM 257 NH1 ARG A 20 -5.632 -3.766 -10.357 1.00 22.25 N ATOM 258 NH2 ARG A 20 -4.621 -5.776 -10.807 1.00 63.40 N ATOM 0 H ARG A 20 -2.038 -1.263 -5.720 1.00 41.33 H new ATOM 0 HA ARG A 20 -1.420 -3.932 -5.168 1.00 12.11 H new ATOM 0 HB2 ARG A 20 -2.325 -2.352 -7.563 1.00 5.13 H new ATOM 0 HB3 ARG A 20 -1.816 -4.011 -7.808 1.00 5.13 H new ATOM 0 HG2 ARG A 20 -3.503 -4.825 -6.249 1.00 23.42 H new ATOM 0 HG3 ARG A 20 -3.933 -3.190 -5.789 1.00 23.42 H new ATOM 0 HD2 ARG A 20 -5.599 -3.844 -7.348 1.00 74.41 H new ATOM 0 HD3 ARG A 20 -4.536 -2.776 -8.243 1.00 74.41 H new ATOM 0 HE ARG A 20 -3.785 -5.597 -8.471 1.00 50.14 H new ATOM 0 HH11 ARG A 20 -5.828 -2.999 -9.714 1.00 22.25 H new ATOM 0 HH12 ARG A 20 -6.020 -3.752 -11.300 1.00 22.25 H new ATOM 0 HH21 ARG A 20 -4.038 -6.559 -10.511 1.00 63.40 H new ATOM 0 HH22 ARG A 20 -5.011 -5.759 -11.749 1.00 63.40 H new ATOM 269 N HIS A 21 0.798 -2.354 -7.017 1.00 22.51 N ATOM 270 CA HIS A 21 2.150 -2.439 -7.558 1.00 41.53 C ATOM 271 C HIS A 21 3.160 -2.729 -6.452 1.00 1.22 C ATOM 272 O HIS A 21 3.927 -3.689 -6.533 1.00 21.12 O ATOM 273 CB HIS A 21 2.518 -1.137 -8.272 1.00 71.34 C ATOM 274 CG HIS A 21 3.850 -1.185 -8.955 1.00 0.11 C ATOM 275 ND1 HIS A 21 4.405 -2.350 -9.443 1.00 53.54 N ATOM 276 CD2 HIS A 21 4.738 -0.202 -9.233 1.00 41.04 C ATOM 277 CE1 HIS A 21 5.577 -2.082 -9.989 1.00 14.52 C ATOM 278 NE2 HIS A 21 5.803 -0.785 -9.875 1.00 45.41 N ATOM 0 H HIS A 21 0.361 -1.438 -7.114 1.00 22.51 H new ATOM 0 HA HIS A 21 2.178 -3.259 -8.275 1.00 41.53 H new ATOM 0 HB2 HIS A 21 1.749 -0.906 -9.009 1.00 71.34 H new ATOM 0 HB3 HIS A 21 2.519 -0.323 -7.547 1.00 71.34 H new ATOM 0 HD2 HIS A 21 4.629 0.846 -8.994 1.00 41.04 H new ATOM 0 HE1 HIS A 21 6.238 -2.801 -10.450 1.00 14.52 H new ATOM 0 HE2 HIS A 21 6.633 -0.296 -10.209 1.00 45.41 H new ATOM 285 N LEU A 22 3.156 -1.893 -5.420 1.00 11.44 N ATOM 286 CA LEU A 22 4.074 -2.058 -4.297 1.00 63.52 C ATOM 287 C LEU A 22 3.921 -3.440 -3.670 1.00 22.14 C ATOM 288 O LEU A 22 4.899 -4.045 -3.231 1.00 2.05 O ATOM 289 CB LEU A 22 3.823 -0.978 -3.244 1.00 64.01 C ATOM 290 CG LEU A 22 4.172 0.454 -3.654 1.00 63.04 C ATOM 291 CD1 LEU A 22 3.963 1.409 -2.490 1.00 61.14 C ATOM 292 CD2 LEU A 22 5.606 0.529 -4.158 1.00 44.23 C ATOM 0 H LEU A 22 2.528 -1.094 -5.337 1.00 11.44 H new ATOM 0 HA LEU A 22 5.092 -1.959 -4.674 1.00 63.52 H new ATOM 0 HB2 LEU A 22 2.770 -1.008 -2.965 1.00 64.01 H new ATOM 0 HB3 LEU A 22 4.396 -1.229 -2.351 1.00 64.01 H new ATOM 0 HG LEU A 22 3.507 0.752 -4.464 1.00 63.04 H new ATOM 0 HD11 LEU A 22 4.216 2.423 -2.801 1.00 61.14 H new ATOM 0 HD12 LEU A 22 2.920 1.376 -2.175 1.00 61.14 H new ATOM 0 HD13 LEU A 22 4.603 1.114 -1.658 1.00 61.14 H new ATOM 0 HD21 LEU A 22 5.837 1.555 -4.445 1.00 44.23 H new ATOM 0 HD22 LEU A 22 6.286 0.211 -3.368 1.00 44.23 H new ATOM 0 HD23 LEU A 22 5.723 -0.125 -5.022 1.00 44.23 H new ATOM 303 N VAL A 23 2.689 -3.937 -3.634 1.00 54.55 N ATOM 304 CA VAL A 23 2.409 -5.249 -3.063 1.00 40.23 C ATOM 305 C VAL A 23 2.919 -6.362 -3.972 1.00 34.33 C ATOM 306 O VAL A 23 3.608 -7.277 -3.521 1.00 23.22 O ATOM 307 CB VAL A 23 0.901 -5.447 -2.825 1.00 52.14 C ATOM 308 CG1 VAL A 23 0.507 -6.895 -3.072 1.00 51.15 C ATOM 309 CG2 VAL A 23 0.522 -5.015 -1.415 1.00 24.54 C ATOM 0 H VAL A 23 1.868 -3.450 -3.994 1.00 54.55 H new ATOM 0 HA VAL A 23 2.929 -5.296 -2.106 1.00 40.23 H new ATOM 0 HB VAL A 23 0.354 -4.821 -3.531 1.00 52.14 H new ATOM 0 HG11 VAL A 23 -0.562 -7.016 -2.899 1.00 51.15 H new ATOM 0 HG12 VAL A 23 0.741 -7.165 -4.102 1.00 51.15 H new ATOM 0 HG13 VAL A 23 1.060 -7.544 -2.393 1.00 51.15 H new ATOM 0 HG21 VAL A 23 -0.548 -5.162 -1.265 1.00 24.54 H new ATOM 0 HG22 VAL A 23 1.076 -5.612 -0.690 1.00 24.54 H new ATOM 0 HG23 VAL A 23 0.766 -3.961 -1.279 1.00 24.54 H new ATOM 319 N ALA A 24 2.576 -6.277 -5.252 1.00 24.04 N ATOM 320 CA ALA A 24 3.003 -7.276 -6.225 1.00 72.54 C ATOM 321 C ALA A 24 4.522 -7.406 -6.250 1.00 74.41 C ATOM 322 O ALA A 24 5.060 -8.512 -6.204 1.00 71.31 O ATOM 323 CB ALA A 24 2.478 -6.923 -7.609 1.00 32.33 C ATOM 0 H ALA A 24 2.004 -5.527 -5.640 1.00 24.04 H new ATOM 0 HA ALA A 24 2.588 -8.238 -5.926 1.00 72.54 H new ATOM 0 HB1 ALA A 24 2.804 -7.677 -8.325 1.00 32.33 H new ATOM 0 HB2 ALA A 24 1.389 -6.890 -7.587 1.00 32.33 H new ATOM 0 HB3 ALA A 24 2.864 -5.948 -7.907 1.00 32.33 H new ATOM 329 N GLU A 25 5.207 -6.269 -6.322 1.00 53.12 N ATOM 330 CA GLU A 25 6.664 -6.257 -6.354 1.00 22.25 C ATOM 331 C GLU A 25 7.242 -6.817 -5.057 1.00 44.31 C ATOM 332 O GLU A 25 8.357 -7.339 -5.036 1.00 43.40 O ATOM 333 CB GLU A 25 7.181 -4.836 -6.582 1.00 44.40 C ATOM 334 CG GLU A 25 6.744 -4.235 -7.909 1.00 73.43 C ATOM 335 CD GLU A 25 7.899 -3.631 -8.685 1.00 52.34 C ATOM 336 OE1 GLU A 25 8.255 -2.467 -8.408 1.00 34.34 O ATOM 337 OE2 GLU A 25 8.444 -4.323 -9.568 1.00 24.01 O ATOM 0 H GLU A 25 4.776 -5.345 -6.359 1.00 53.12 H new ATOM 0 HA GLU A 25 6.987 -6.890 -7.180 1.00 22.25 H new ATOM 0 HB2 GLU A 25 6.832 -4.197 -5.771 1.00 44.40 H new ATOM 0 HB3 GLU A 25 8.270 -4.843 -6.537 1.00 44.40 H new ATOM 0 HG2 GLU A 25 6.269 -5.007 -8.514 1.00 73.43 H new ATOM 0 HG3 GLU A 25 5.993 -3.467 -7.726 1.00 73.43 H new ATOM 342 N ARG A 26 6.475 -6.705 -3.978 1.00 1.10 N ATOM 343 CA ARG A 26 6.911 -7.198 -2.677 1.00 54.42 C ATOM 344 C ARG A 26 6.729 -8.710 -2.579 1.00 3.40 C ATOM 345 O ARG A 26 7.464 -9.388 -1.863 1.00 42.10 O ATOM 346 CB ARG A 26 6.129 -6.506 -1.558 1.00 3.21 C ATOM 347 CG ARG A 26 6.678 -5.138 -1.187 1.00 62.32 C ATOM 348 CD ARG A 26 7.570 -5.211 0.042 1.00 34.42 C ATOM 349 NE ARG A 26 8.944 -5.571 -0.299 1.00 43.32 N ATOM 350 CZ ARG A 26 9.962 -5.470 0.548 1.00 24.32 C ATOM 351 NH1 ARG A 26 9.763 -5.023 1.779 1.00 32.40 N ATOM 352 NH2 ARG A 26 11.184 -5.817 0.163 1.00 64.44 N ATOM 0 H ARG A 26 5.549 -6.277 -3.979 1.00 1.10 H new ATOM 0 HA ARG A 26 7.971 -6.969 -2.566 1.00 54.42 H new ATOM 0 HB2 ARG A 26 5.089 -6.399 -1.866 1.00 3.21 H new ATOM 0 HB3 ARG A 26 6.136 -7.143 -0.674 1.00 3.21 H new ATOM 0 HG2 ARG A 26 7.244 -4.732 -2.025 1.00 62.32 H new ATOM 0 HG3 ARG A 26 5.852 -4.452 -0.998 1.00 62.32 H new ATOM 0 HD2 ARG A 26 7.564 -4.248 0.552 1.00 34.42 H new ATOM 0 HD3 ARG A 26 7.166 -5.944 0.740 1.00 34.42 H new ATOM 0 HE ARG A 26 9.132 -5.919 -1.239 1.00 43.32 H new ATOM 0 HH11 ARG A 26 8.826 -4.755 2.079 1.00 32.40 H new ATOM 0 HH12 ARG A 26 10.547 -4.947 2.427 1.00 32.40 H new ATOM 0 HH21 ARG A 26 11.342 -6.162 -0.784 1.00 64.44 H new ATOM 0 HH22 ARG A 26 11.965 -5.739 0.814 1.00 64.44 H new ATOM 363 N ALA A 27 5.744 -9.229 -3.304 1.00 72.05 N ATOM 364 CA ALA A 27 5.466 -10.660 -3.300 1.00 60.22 C ATOM 365 C ALA A 27 6.267 -11.378 -4.381 1.00 43.14 C ATOM 366 O ALA A 27 6.025 -12.548 -4.671 1.00 74.42 O ATOM 367 CB ALA A 27 3.977 -10.910 -3.490 1.00 45.22 C ATOM 0 H ALA A 27 5.125 -8.680 -3.901 1.00 72.05 H new ATOM 0 HA ALA A 27 5.770 -11.061 -2.333 1.00 60.22 H new ATOM 0 HB1 ALA A 27 3.785 -11.983 -3.485 1.00 45.22 H new ATOM 0 HB2 ALA A 27 3.422 -10.438 -2.679 1.00 45.22 H new ATOM 0 HB3 ALA A 27 3.656 -10.488 -4.442 1.00 45.22 H new ATOM 373 N GLU A 28 7.221 -10.667 -4.974 1.00 32.25 N ATOM 374 CA GLU A 28 8.057 -11.237 -6.024 1.00 43.14 C ATOM 375 C GLU A 28 7.217 -11.617 -7.241 1.00 1.52 C ATOM 376 O GLU A 28 7.573 -12.521 -7.997 1.00 44.20 O ATOM 377 CB GLU A 28 8.802 -12.466 -5.503 1.00 35.35 C ATOM 378 CG GLU A 28 10.193 -12.632 -6.094 1.00 71.01 C ATOM 379 CD GLU A 28 11.278 -12.066 -5.200 1.00 11.14 C ATOM 380 OE1 GLU A 28 11.475 -12.605 -4.090 1.00 5.22 O ATOM 381 OE2 GLU A 28 11.932 -11.083 -5.610 1.00 73.10 O ATOM 0 H GLU A 28 7.434 -9.696 -4.745 1.00 32.25 H new ATOM 0 HA GLU A 28 8.783 -10.482 -6.325 1.00 43.14 H new ATOM 0 HB2 GLU A 28 8.883 -12.398 -4.418 1.00 35.35 H new ATOM 0 HB3 GLU A 28 8.214 -13.357 -5.723 1.00 35.35 H new ATOM 0 HG2 GLU A 28 10.386 -13.691 -6.267 1.00 71.01 H new ATOM 0 HG3 GLU A 28 10.233 -12.138 -7.065 1.00 71.01 H new ATOM 386 N LEU A 29 6.100 -10.920 -7.422 1.00 1.55 N ATOM 387 CA LEU A 29 5.210 -11.183 -8.546 1.00 44.34 C ATOM 388 C LEU A 29 4.894 -9.897 -9.305 1.00 20.31 C ATOM 389 O LEU A 29 5.007 -8.792 -8.774 1.00 73.14 O ATOM 390 CB LEU A 29 3.913 -11.829 -8.055 1.00 70.22 C ATOM 391 CG LEU A 29 3.955 -13.343 -7.844 1.00 44.00 C ATOM 392 CD1 LEU A 29 2.664 -13.829 -7.204 1.00 33.10 C ATOM 393 CD2 LEU A 29 4.199 -14.058 -9.165 1.00 31.12 C ATOM 0 H LEU A 29 5.790 -10.169 -6.805 1.00 1.55 H new ATOM 0 HA LEU A 29 5.717 -11.869 -9.225 1.00 44.34 H new ATOM 0 HB2 LEU A 29 3.630 -11.359 -7.113 1.00 70.22 H new ATOM 0 HB3 LEU A 29 3.124 -11.604 -8.773 1.00 70.22 H new ATOM 0 HG LEU A 29 4.780 -13.574 -7.170 1.00 44.00 H new ATOM 0 HD11 LEU A 29 2.712 -14.909 -7.062 1.00 33.10 H new ATOM 0 HD12 LEU A 29 2.531 -13.341 -6.238 1.00 33.10 H new ATOM 0 HD13 LEU A 29 1.822 -13.586 -7.853 1.00 33.10 H new ATOM 0 HD21 LEU A 29 4.226 -15.135 -8.996 1.00 31.12 H new ATOM 0 HD22 LEU A 29 3.395 -13.820 -9.862 1.00 31.12 H new ATOM 0 HD23 LEU A 29 5.151 -13.732 -9.584 1.00 31.12 H new ATOM 404 N PRO A 30 4.488 -10.043 -10.575 1.00 71.31 N ATOM 405 CA PRO A 30 4.146 -8.904 -11.432 1.00 13.24 C ATOM 406 C PRO A 30 2.856 -8.217 -10.995 1.00 2.14 C ATOM 407 O PRO A 30 1.948 -8.859 -10.468 1.00 53.44 O ATOM 408 CB PRO A 30 3.972 -9.539 -12.813 1.00 25.13 C ATOM 409 CG PRO A 30 3.608 -10.958 -12.535 1.00 54.40 C ATOM 410 CD PRO A 30 4.332 -11.331 -11.271 1.00 4.23 C ATOM 0 HA PRO A 30 4.908 -8.125 -11.399 1.00 13.24 H new ATOM 0 HB2 PRO A 30 3.193 -9.035 -13.385 1.00 25.13 H new ATOM 0 HB3 PRO A 30 4.890 -9.473 -13.398 1.00 25.13 H new ATOM 0 HG2 PRO A 30 2.530 -11.068 -12.414 1.00 54.40 H new ATOM 0 HG3 PRO A 30 3.904 -11.606 -13.360 1.00 54.40 H new ATOM 0 HD2 PRO A 30 3.760 -12.043 -10.676 1.00 4.23 H new ATOM 0 HD3 PRO A 30 5.296 -11.793 -11.482 1.00 4.23 H new ATOM 415 N VAL A 31 2.783 -6.909 -11.220 1.00 75.23 N ATOM 416 CA VAL A 31 1.603 -6.135 -10.851 1.00 54.03 C ATOM 417 C VAL A 31 0.423 -6.466 -11.758 1.00 35.12 C ATOM 418 O VAL A 31 -0.717 -6.110 -11.463 1.00 50.31 O ATOM 419 CB VAL A 31 1.881 -4.622 -10.919 1.00 43.30 C ATOM 420 CG1 VAL A 31 2.297 -4.218 -12.325 1.00 63.24 C ATOM 421 CG2 VAL A 31 0.659 -3.835 -10.469 1.00 30.41 C ATOM 0 H VAL A 31 3.526 -6.363 -11.656 1.00 75.23 H new ATOM 0 HA VAL A 31 1.355 -6.405 -9.825 1.00 54.03 H new ATOM 0 HB VAL A 31 2.703 -4.391 -10.242 1.00 43.30 H new ATOM 0 HG11 VAL A 31 2.489 -3.145 -12.354 1.00 63.24 H new ATOM 0 HG12 VAL A 31 3.202 -4.756 -12.605 1.00 63.24 H new ATOM 0 HG13 VAL A 31 1.498 -4.462 -13.025 1.00 63.24 H new ATOM 0 HG21 VAL A 31 0.873 -2.768 -10.523 1.00 30.41 H new ATOM 0 HG22 VAL A 31 -0.184 -4.069 -11.119 1.00 30.41 H new ATOM 0 HG23 VAL A 31 0.411 -4.103 -9.442 1.00 30.41 H new ATOM 431 N GLU A 32 0.706 -7.150 -12.862 1.00 5.14 N ATOM 432 CA GLU A 32 -0.332 -7.528 -13.813 1.00 71.21 C ATOM 433 C GLU A 32 -1.047 -8.799 -13.361 1.00 10.13 C ATOM 434 O GLU A 32 -2.161 -9.087 -13.799 1.00 74.30 O ATOM 435 CB GLU A 32 0.269 -7.735 -15.205 1.00 21.52 C ATOM 436 CG GLU A 32 1.045 -9.034 -15.345 1.00 71.21 C ATOM 437 CD GLU A 32 0.410 -9.989 -16.338 1.00 53.00 C ATOM 438 OE1 GLU A 32 -0.830 -10.135 -16.309 1.00 10.41 O ATOM 439 OE2 GLU A 32 1.152 -10.589 -17.142 1.00 51.15 O ATOM 0 H GLU A 32 1.645 -7.453 -13.120 1.00 5.14 H new ATOM 0 HA GLU A 32 -1.060 -6.718 -13.857 1.00 71.21 H new ATOM 0 HB2 GLU A 32 -0.532 -7.719 -15.944 1.00 21.52 H new ATOM 0 HB3 GLU A 32 0.931 -6.900 -15.434 1.00 21.52 H new ATOM 0 HG2 GLU A 32 2.064 -8.812 -15.661 1.00 71.21 H new ATOM 0 HG3 GLU A 32 1.112 -9.520 -14.371 1.00 71.21 H new ATOM 444 N VAL A 33 -0.396 -9.555 -12.483 1.00 64.21 N ATOM 445 CA VAL A 33 -0.969 -10.795 -11.971 1.00 34.22 C ATOM 446 C VAL A 33 -1.499 -10.612 -10.554 1.00 54.51 C ATOM 447 O VAL A 33 -2.081 -11.528 -9.972 1.00 65.12 O ATOM 448 CB VAL A 33 0.068 -11.935 -11.975 1.00 42.42 C ATOM 449 CG1 VAL A 33 0.867 -11.935 -10.682 1.00 32.32 C ATOM 450 CG2 VAL A 33 -0.617 -13.277 -12.188 1.00 43.42 C ATOM 0 H VAL A 33 0.527 -9.331 -12.112 1.00 64.21 H new ATOM 0 HA VAL A 33 -1.794 -11.060 -12.633 1.00 34.22 H new ATOM 0 HB VAL A 33 0.760 -11.770 -12.801 1.00 42.42 H new ATOM 0 HG11 VAL A 33 1.594 -12.747 -10.704 1.00 32.32 H new ATOM 0 HG12 VAL A 33 1.388 -10.984 -10.577 1.00 32.32 H new ATOM 0 HG13 VAL A 33 0.192 -12.074 -9.837 1.00 32.32 H new ATOM 0 HG21 VAL A 33 0.130 -14.071 -12.188 1.00 43.42 H new ATOM 0 HG22 VAL A 33 -1.332 -13.452 -11.384 1.00 43.42 H new ATOM 0 HG23 VAL A 33 -1.140 -13.271 -13.144 1.00 43.42 H new ATOM 460 N LEU A 34 -1.295 -9.420 -10.002 1.00 51.04 N ATOM 461 CA LEU A 34 -1.754 -9.114 -8.651 1.00 62.24 C ATOM 462 C LEU A 34 -3.277 -9.036 -8.599 1.00 74.43 C ATOM 463 O LEU A 34 -3.891 -8.219 -9.284 1.00 13.32 O ATOM 464 CB LEU A 34 -1.148 -7.794 -8.172 1.00 43.21 C ATOM 465 CG LEU A 34 -0.838 -7.701 -6.677 1.00 42.04 C ATOM 466 CD1 LEU A 34 -2.125 -7.627 -5.871 1.00 75.53 C ATOM 467 CD2 LEU A 34 0.005 -8.887 -6.233 1.00 62.32 C ATOM 0 H LEU A 34 -0.815 -8.650 -10.469 1.00 51.04 H new ATOM 0 HA LEU A 34 -1.426 -9.917 -7.991 1.00 62.24 H new ATOM 0 HB2 LEU A 34 -0.226 -7.619 -8.726 1.00 43.21 H new ATOM 0 HB3 LEU A 34 -1.834 -6.987 -8.431 1.00 43.21 H new ATOM 0 HG LEU A 34 -0.268 -6.789 -6.498 1.00 42.04 H new ATOM 0 HD11 LEU A 34 -1.886 -7.561 -4.809 1.00 75.53 H new ATOM 0 HD12 LEU A 34 -2.692 -6.746 -6.171 1.00 75.53 H new ATOM 0 HD13 LEU A 34 -2.721 -8.521 -6.054 1.00 75.53 H new ATOM 0 HD21 LEU A 34 0.216 -8.805 -5.167 1.00 62.32 H new ATOM 0 HD22 LEU A 34 -0.539 -9.812 -6.425 1.00 62.32 H new ATOM 0 HD23 LEU A 34 0.943 -8.895 -6.789 1.00 62.32 H new ATOM 478 N ARG A 35 -3.880 -9.891 -7.778 1.00 20.03 N ATOM 479 CA ARG A 35 -5.331 -9.917 -7.634 1.00 65.41 C ATOM 480 C ARG A 35 -5.806 -8.805 -6.705 1.00 21.43 C ATOM 481 O ARG A 35 -5.128 -8.461 -5.735 1.00 63.14 O ATOM 482 CB ARG A 35 -5.786 -11.276 -7.097 1.00 11.04 C ATOM 483 CG ARG A 35 -6.988 -11.849 -7.829 1.00 45.32 C ATOM 484 CD ARG A 35 -6.572 -12.579 -9.096 1.00 50.31 C ATOM 485 NE ARG A 35 -6.525 -11.687 -10.252 1.00 61.30 N ATOM 486 CZ ARG A 35 -6.008 -12.032 -11.426 1.00 23.33 C ATOM 487 NH1 ARG A 35 -5.497 -13.243 -11.599 1.00 31.40 N ATOM 488 NH2 ARG A 35 -6.002 -11.165 -12.430 1.00 13.03 N ATOM 0 H ARG A 35 -3.386 -10.574 -7.203 1.00 20.03 H new ATOM 0 HA ARG A 35 -5.772 -9.756 -8.618 1.00 65.41 H new ATOM 0 HB2 ARG A 35 -4.958 -11.981 -7.168 1.00 11.04 H new ATOM 0 HB3 ARG A 35 -6.029 -11.176 -6.039 1.00 11.04 H new ATOM 0 HG2 ARG A 35 -7.523 -12.535 -7.172 1.00 45.32 H new ATOM 0 HG3 ARG A 35 -7.679 -11.045 -8.081 1.00 45.32 H new ATOM 0 HD2 ARG A 35 -5.592 -13.032 -8.948 1.00 50.31 H new ATOM 0 HD3 ARG A 35 -7.272 -13.391 -9.293 1.00 50.31 H new ATOM 0 HE ARG A 35 -6.910 -10.748 -10.152 1.00 61.30 H new ATOM 0 HH11 ARG A 35 -5.500 -13.913 -10.830 1.00 31.40 H new ATOM 0 HH12 ARG A 35 -5.101 -13.505 -12.502 1.00 31.40 H new ATOM 0 HH21 ARG A 35 -6.395 -10.232 -12.301 1.00 13.03 H new ATOM 0 HH22 ARG A 35 -5.605 -11.431 -13.331 1.00 13.03 H new ATOM 499 N ASP A 36 -6.973 -8.246 -7.007 1.00 23.54 N ATOM 500 CA ASP A 36 -7.538 -7.174 -6.198 1.00 51.40 C ATOM 501 C ASP A 36 -8.046 -7.709 -4.863 1.00 50.30 C ATOM 502 O ASP A 36 -8.111 -6.979 -3.874 1.00 51.42 O ATOM 503 CB ASP A 36 -8.677 -6.484 -6.952 1.00 23.22 C ATOM 504 CG ASP A 36 -8.228 -5.914 -8.283 1.00 54.41 C ATOM 505 OD1 ASP A 36 -7.423 -4.959 -8.277 1.00 53.44 O ATOM 506 OD2 ASP A 36 -8.683 -6.420 -9.330 1.00 73.33 O ATOM 0 H ASP A 36 -7.545 -8.518 -7.806 1.00 23.54 H new ATOM 0 HA ASP A 36 -6.750 -6.447 -6.001 1.00 51.40 H new ATOM 0 HB2 ASP A 36 -9.483 -7.198 -7.119 1.00 23.22 H new ATOM 0 HB3 ASP A 36 -9.084 -5.683 -6.335 1.00 23.22 H new ATOM 510 N ASP A 37 -8.407 -8.987 -4.843 1.00 63.22 N ATOM 511 CA ASP A 37 -8.909 -9.621 -3.629 1.00 50.34 C ATOM 512 C ASP A 37 -7.807 -10.414 -2.934 1.00 12.33 C ATOM 513 O ASP A 37 -8.081 -11.271 -2.094 1.00 31.15 O ATOM 514 CB ASP A 37 -10.087 -10.541 -3.959 1.00 33.13 C ATOM 515 CG ASP A 37 -11.243 -9.795 -4.595 1.00 10.14 C ATOM 516 OD1 ASP A 37 -11.622 -8.729 -4.068 1.00 43.43 O ATOM 517 OD2 ASP A 37 -11.770 -10.279 -5.619 1.00 12.34 O ATOM 0 H ASP A 37 -8.362 -9.605 -5.653 1.00 63.22 H new ATOM 0 HA ASP A 37 -9.248 -8.837 -2.952 1.00 50.34 H new ATOM 0 HB2 ASP A 37 -9.751 -11.329 -4.634 1.00 33.13 H new ATOM 0 HB3 ASP A 37 -10.431 -11.028 -3.046 1.00 33.13 H new ATOM 521 N SER A 38 -6.561 -10.122 -3.291 1.00 24.30 N ATOM 522 CA SER A 38 -5.417 -10.812 -2.705 1.00 41.32 C ATOM 523 C SER A 38 -5.132 -10.293 -1.299 1.00 12.25 C ATOM 524 O SER A 38 -5.075 -9.084 -1.072 1.00 31.12 O ATOM 525 CB SER A 38 -4.179 -10.633 -3.588 1.00 62.45 C ATOM 526 OG SER A 38 -3.316 -9.641 -3.061 1.00 42.34 O ATOM 0 H SER A 38 -6.317 -9.413 -3.983 1.00 24.30 H new ATOM 0 HA SER A 38 -5.658 -11.873 -2.640 1.00 41.32 H new ATOM 0 HB2 SER A 38 -3.645 -11.580 -3.667 1.00 62.45 H new ATOM 0 HB3 SER A 38 -4.485 -10.355 -4.597 1.00 62.45 H new ATOM 0 HG SER A 38 -2.719 -9.318 -3.768 1.00 42.34 H new ATOM 531 N ARG A 39 -4.953 -11.215 -0.360 1.00 75.52 N ATOM 532 CA ARG A 39 -4.676 -10.852 1.025 1.00 30.13 C ATOM 533 C ARG A 39 -3.180 -10.632 1.239 1.00 75.15 C ATOM 534 O ARG A 39 -2.354 -11.116 0.466 1.00 12.35 O ATOM 535 CB ARG A 39 -5.182 -11.942 1.971 1.00 74.23 C ATOM 536 CG ARG A 39 -6.583 -12.433 1.642 1.00 5.54 C ATOM 537 CD ARG A 39 -7.396 -12.685 2.901 1.00 10.53 C ATOM 538 NE ARG A 39 -8.330 -11.596 3.175 1.00 14.34 N ATOM 539 CZ ARG A 39 -9.294 -11.666 4.086 1.00 72.12 C ATOM 540 NH1 ARG A 39 -9.450 -12.768 4.807 1.00 61.43 N ATOM 541 NH2 ARG A 39 -10.103 -10.633 4.279 1.00 43.43 N ATOM 0 H ARG A 39 -4.995 -12.219 -0.532 1.00 75.52 H new ATOM 0 HA ARG A 39 -5.199 -9.921 1.243 1.00 30.13 H new ATOM 0 HB2 ARG A 39 -4.494 -12.787 1.940 1.00 74.23 H new ATOM 0 HB3 ARG A 39 -5.171 -11.559 2.992 1.00 74.23 H new ATOM 0 HG2 ARG A 39 -7.091 -11.695 1.021 1.00 5.54 H new ATOM 0 HG3 ARG A 39 -6.520 -13.352 1.059 1.00 5.54 H new ATOM 0 HD2 ARG A 39 -7.948 -13.619 2.795 1.00 10.53 H new ATOM 0 HD3 ARG A 39 -6.723 -12.807 3.749 1.00 10.53 H new ATOM 0 HE ARG A 39 -8.237 -10.734 2.637 1.00 14.34 H new ATOM 0 HH11 ARG A 39 -8.829 -13.564 4.663 1.00 61.43 H new ATOM 0 HH12 ARG A 39 -10.191 -12.819 5.506 1.00 61.43 H new ATOM 0 HH21 ARG A 39 -9.985 -9.783 3.727 1.00 43.43 H new ATOM 0 HH22 ARG A 39 -10.843 -10.688 4.979 1.00 43.43 H new ATOM 552 N PHE A 40 -2.842 -9.899 2.295 1.00 3.24 N ATOM 553 CA PHE A 40 -1.447 -9.612 2.610 1.00 64.22 C ATOM 554 C PHE A 40 -0.839 -10.731 3.451 1.00 43.01 C ATOM 555 O PHE A 40 0.142 -10.524 4.165 1.00 31.33 O ATOM 556 CB PHE A 40 -1.334 -8.281 3.355 1.00 2.45 C ATOM 557 CG PHE A 40 -1.986 -7.135 2.636 1.00 54.04 C ATOM 558 CD1 PHE A 40 -1.512 -6.711 1.405 1.00 50.00 C ATOM 559 CD2 PHE A 40 -3.073 -6.481 3.192 1.00 55.34 C ATOM 560 CE1 PHE A 40 -2.111 -5.657 0.742 1.00 62.14 C ATOM 561 CE2 PHE A 40 -3.677 -5.426 2.534 1.00 22.20 C ATOM 562 CZ PHE A 40 -3.194 -5.013 1.307 1.00 70.14 C ATOM 0 H PHE A 40 -3.514 -9.493 2.946 1.00 3.24 H new ATOM 0 HA PHE A 40 -0.895 -9.544 1.673 1.00 64.22 H new ATOM 0 HB2 PHE A 40 -1.787 -8.386 4.341 1.00 2.45 H new ATOM 0 HB3 PHE A 40 -0.280 -8.049 3.511 1.00 2.45 H new ATOM 0 HD1 PHE A 40 -0.665 -7.210 0.959 1.00 50.00 H new ATOM 0 HD2 PHE A 40 -3.453 -6.799 4.151 1.00 55.34 H new ATOM 0 HE1 PHE A 40 -1.732 -5.337 -0.218 1.00 62.14 H new ATOM 0 HE2 PHE A 40 -4.525 -4.925 2.978 1.00 22.20 H new ATOM 0 HZ PHE A 40 -3.663 -4.188 0.791 1.00 70.14 H new ATOM 571 N LEU A 41 -1.430 -11.918 3.361 1.00 70.51 N ATOM 572 CA LEU A 41 -0.948 -13.071 4.113 1.00 62.32 C ATOM 573 C LEU A 41 -1.380 -14.374 3.447 1.00 34.24 C ATOM 574 O LEU A 41 -0.600 -15.322 3.352 1.00 22.53 O ATOM 575 CB LEU A 41 -1.469 -13.022 5.550 1.00 74.44 C ATOM 576 CG LEU A 41 -0.596 -12.271 6.556 1.00 42.53 C ATOM 577 CD1 LEU A 41 -1.275 -12.214 7.915 1.00 53.10 C ATOM 578 CD2 LEU A 41 0.772 -12.927 6.668 1.00 1.11 C ATOM 0 H LEU A 41 -2.243 -12.107 2.775 1.00 70.51 H new ATOM 0 HA LEU A 41 0.141 -13.035 4.127 1.00 62.32 H new ATOM 0 HB2 LEU A 41 -2.457 -12.561 5.541 1.00 74.44 H new ATOM 0 HB3 LEU A 41 -1.598 -14.045 5.904 1.00 74.44 H new ATOM 0 HG LEU A 41 -0.460 -11.250 6.199 1.00 42.53 H new ATOM 0 HD11 LEU A 41 -0.639 -11.676 8.617 1.00 53.10 H new ATOM 0 HD12 LEU A 41 -2.231 -11.698 7.823 1.00 53.10 H new ATOM 0 HD13 LEU A 41 -1.443 -13.227 8.281 1.00 53.10 H new ATOM 0 HD21 LEU A 41 1.380 -12.380 7.388 1.00 1.11 H new ATOM 0 HD22 LEU A 41 0.655 -13.958 7.001 1.00 1.11 H new ATOM 0 HD23 LEU A 41 1.263 -12.914 5.695 1.00 1.11 H new ATOM 589 N ASP A 42 -2.626 -14.413 2.989 1.00 30.10 N ATOM 590 CA ASP A 42 -3.161 -15.599 2.329 1.00 51.10 C ATOM 591 C ASP A 42 -2.349 -15.941 1.083 1.00 52.13 C ATOM 592 O ASP A 42 -1.900 -17.074 0.916 1.00 25.54 O ATOM 593 CB ASP A 42 -4.627 -15.381 1.953 1.00 21.30 C ATOM 594 CG ASP A 42 -5.320 -16.670 1.557 1.00 53.21 C ATOM 595 OD1 ASP A 42 -4.701 -17.481 0.837 1.00 14.13 O ATOM 596 OD2 ASP A 42 -6.483 -16.868 1.967 1.00 71.12 O ATOM 0 H ASP A 42 -3.285 -13.638 3.062 1.00 30.10 H new ATOM 0 HA ASP A 42 -3.093 -16.434 3.026 1.00 51.10 H new ATOM 0 HB2 ASP A 42 -5.153 -14.933 2.796 1.00 21.30 H new ATOM 0 HB3 ASP A 42 -4.686 -14.672 1.128 1.00 21.30 H new ATOM 600 N ASP A 43 -2.167 -14.954 0.214 1.00 5.15 N ATOM 601 CA ASP A 43 -1.409 -15.150 -1.017 1.00 13.23 C ATOM 602 C ASP A 43 -0.091 -14.383 -0.971 1.00 23.23 C ATOM 603 O ASP A 43 0.985 -14.969 -1.103 1.00 15.24 O ATOM 604 CB ASP A 43 -2.233 -14.701 -2.225 1.00 12.33 C ATOM 605 CG ASP A 43 -2.691 -15.867 -3.078 1.00 43.03 C ATOM 606 OD1 ASP A 43 -3.641 -16.566 -2.667 1.00 24.30 O ATOM 607 OD2 ASP A 43 -2.100 -16.080 -4.158 1.00 43.34 O ATOM 0 H ASP A 43 -2.533 -14.010 0.338 1.00 5.15 H new ATOM 0 HA ASP A 43 -1.187 -16.213 -1.113 1.00 13.23 H new ATOM 0 HB2 ASP A 43 -3.103 -14.143 -1.880 1.00 12.33 H new ATOM 0 HB3 ASP A 43 -1.638 -14.020 -2.834 1.00 12.33 H new ATOM 611 N LEU A 44 -0.182 -13.071 -0.786 1.00 13.52 N ATOM 612 CA LEU A 44 1.004 -12.223 -0.724 1.00 43.30 C ATOM 613 C LEU A 44 1.947 -12.685 0.383 1.00 44.24 C ATOM 614 O LEU A 44 3.150 -12.433 0.331 1.00 35.15 O ATOM 615 CB LEU A 44 0.601 -10.766 -0.492 1.00 42.12 C ATOM 616 CG LEU A 44 -0.442 -10.196 -1.455 1.00 15.32 C ATOM 617 CD1 LEU A 44 -0.970 -8.865 -0.941 1.00 43.41 C ATOM 618 CD2 LEU A 44 0.150 -10.035 -2.847 1.00 4.41 C ATOM 0 H LEU A 44 -1.064 -12.571 -0.676 1.00 13.52 H new ATOM 0 HA LEU A 44 1.527 -12.302 -1.677 1.00 43.30 H new ATOM 0 HB2 LEU A 44 0.217 -10.674 0.524 1.00 42.12 H new ATOM 0 HB3 LEU A 44 1.497 -10.148 -0.551 1.00 42.12 H new ATOM 0 HG LEU A 44 -1.275 -10.896 -1.515 1.00 15.32 H new ATOM 0 HD11 LEU A 44 -1.711 -8.474 -1.638 1.00 43.41 H new ATOM 0 HD12 LEU A 44 -1.432 -9.009 0.036 1.00 43.41 H new ATOM 0 HD13 LEU A 44 -0.146 -8.157 -0.852 1.00 43.41 H new ATOM 0 HD21 LEU A 44 -0.606 -9.628 -3.519 1.00 4.41 H new ATOM 0 HD22 LEU A 44 1.001 -9.355 -2.804 1.00 4.41 H new ATOM 0 HD23 LEU A 44 0.480 -11.006 -3.217 1.00 4.41 H new ATOM 629 N HIS A 45 1.391 -13.364 1.381 1.00 54.33 N ATOM 630 CA HIS A 45 2.183 -13.864 2.499 1.00 42.44 C ATOM 631 C HIS A 45 3.089 -12.769 3.056 1.00 65.41 C ATOM 632 O HIS A 45 4.314 -12.876 2.997 1.00 13.30 O ATOM 633 CB HIS A 45 3.023 -15.064 2.060 1.00 55.54 C ATOM 634 CG HIS A 45 3.533 -15.887 3.203 1.00 2.45 C ATOM 635 ND1 HIS A 45 2.738 -16.757 3.918 1.00 24.32 N ATOM 636 CD2 HIS A 45 4.768 -15.970 3.752 1.00 12.13 C ATOM 637 CE1 HIS A 45 3.461 -17.339 4.858 1.00 1.14 C ATOM 638 NE2 HIS A 45 4.697 -16.878 4.778 1.00 74.53 N ATOM 0 H HIS A 45 0.396 -13.581 1.439 1.00 54.33 H new ATOM 0 HA HIS A 45 1.498 -14.179 3.286 1.00 42.44 H new ATOM 0 HB2 HIS A 45 2.424 -15.697 1.406 1.00 55.54 H new ATOM 0 HB3 HIS A 45 3.869 -14.709 1.472 1.00 55.54 H new ATOM 0 HD2 HIS A 45 5.646 -15.423 3.440 1.00 12.13 H new ATOM 0 HE1 HIS A 45 3.103 -18.067 5.570 1.00 1.14 H new ATOM 0 HE2 HIS A 45 5.472 -17.153 5.381 1.00 74.53 H new ATOM 645 N MET A 46 2.479 -11.719 3.593 1.00 52.24 N ATOM 646 CA MET A 46 3.231 -10.606 4.161 1.00 42.44 C ATOM 647 C MET A 46 2.872 -10.399 5.628 1.00 35.30 C ATOM 648 O MET A 46 1.795 -9.896 5.949 1.00 12.22 O ATOM 649 CB MET A 46 2.958 -9.323 3.371 1.00 71.30 C ATOM 650 CG MET A 46 2.983 -9.520 1.864 1.00 21.22 C ATOM 651 SD MET A 46 4.201 -8.472 1.048 1.00 11.42 S ATOM 652 CE MET A 46 3.214 -7.770 -0.272 1.00 64.10 C ATOM 0 H MET A 46 1.466 -11.615 3.647 1.00 52.24 H new ATOM 0 HA MET A 46 4.292 -10.846 4.096 1.00 42.44 H new ATOM 0 HB2 MET A 46 1.985 -8.928 3.661 1.00 71.30 H new ATOM 0 HB3 MET A 46 3.701 -8.573 3.644 1.00 71.30 H new ATOM 0 HG2 MET A 46 3.201 -10.565 1.641 1.00 21.22 H new ATOM 0 HG3 MET A 46 1.995 -9.307 1.457 1.00 21.22 H new ATOM 0 HE1 MET A 46 3.717 -6.891 -0.675 1.00 64.10 H new ATOM 0 HE2 MET A 46 3.086 -8.509 -1.063 1.00 64.10 H new ATOM 0 HE3 MET A 46 2.237 -7.482 0.117 1.00 64.10 H new ATOM 660 N SER A 47 3.781 -10.791 6.516 1.00 11.25 N ATOM 661 CA SER A 47 3.558 -10.652 7.950 1.00 34.34 C ATOM 662 C SER A 47 3.239 -9.204 8.313 1.00 23.23 C ATOM 663 O SER A 47 3.512 -8.285 7.541 1.00 15.01 O ATOM 664 CB SER A 47 4.789 -11.125 8.727 1.00 41.42 C ATOM 665 OG SER A 47 5.105 -12.470 8.412 1.00 62.32 O ATOM 0 H SER A 47 4.678 -11.207 6.267 1.00 11.25 H new ATOM 0 HA SER A 47 2.704 -11.273 8.222 1.00 34.34 H new ATOM 0 HB2 SER A 47 5.639 -10.484 8.493 1.00 41.42 H new ATOM 0 HB3 SER A 47 4.605 -11.032 9.797 1.00 41.42 H new ATOM 0 HG SER A 47 5.896 -12.748 8.920 1.00 62.32 H new ATOM 670 N SER A 48 2.660 -9.011 9.494 1.00 23.20 N ATOM 671 CA SER A 48 2.300 -7.677 9.959 1.00 12.10 C ATOM 672 C SER A 48 3.455 -6.701 9.758 1.00 20.35 C ATOM 673 O SER A 48 3.249 -5.545 9.386 1.00 34.33 O ATOM 674 CB SER A 48 1.903 -7.719 11.435 1.00 12.52 C ATOM 675 OG SER A 48 0.956 -6.707 11.737 1.00 30.51 O ATOM 0 H SER A 48 2.430 -9.761 10.146 1.00 23.20 H new ATOM 0 HA SER A 48 1.450 -7.331 9.371 1.00 12.10 H new ATOM 0 HB2 SER A 48 1.485 -8.696 11.675 1.00 12.52 H new ATOM 0 HB3 SER A 48 2.789 -7.590 12.057 1.00 12.52 H new ATOM 0 HG SER A 48 0.717 -6.756 12.686 1.00 30.51 H new ATOM 680 N ILE A 49 4.672 -7.175 10.008 1.00 23.33 N ATOM 681 CA ILE A 49 5.861 -6.346 9.855 1.00 11.11 C ATOM 682 C ILE A 49 6.201 -6.140 8.382 1.00 13.22 C ATOM 683 O ILE A 49 6.577 -5.043 7.968 1.00 3.23 O ATOM 684 CB ILE A 49 7.076 -6.967 10.568 1.00 70.41 C ATOM 685 CG1 ILE A 49 6.818 -7.059 12.074 1.00 23.41 C ATOM 686 CG2 ILE A 49 8.329 -6.150 10.289 1.00 52.30 C ATOM 687 CD1 ILE A 49 6.485 -5.730 12.713 1.00 0.04 C ATOM 0 H ILE A 49 4.860 -8.129 10.317 1.00 23.33 H new ATOM 0 HA ILE A 49 5.635 -5.383 10.312 1.00 11.11 H new ATOM 0 HB ILE A 49 7.230 -7.975 10.182 1.00 70.41 H new ATOM 0 HG12 ILE A 49 5.997 -7.754 12.252 1.00 23.41 H new ATOM 0 HG13 ILE A 49 7.700 -7.476 12.561 1.00 23.41 H new ATOM 0 HG21 ILE A 49 9.179 -6.602 10.800 1.00 52.30 H new ATOM 0 HG22 ILE A 49 8.519 -6.130 9.216 1.00 52.30 H new ATOM 0 HG23 ILE A 49 8.187 -5.132 10.651 1.00 52.30 H new ATOM 0 HD11 ILE A 49 6.315 -5.872 13.780 1.00 0.04 H new ATOM 0 HD12 ILE A 49 7.314 -5.038 12.567 1.00 0.04 H new ATOM 0 HD13 ILE A 49 5.585 -5.321 12.253 1.00 0.04 H new ATOM 698 N THR A 50 6.064 -7.202 7.594 1.00 15.52 N ATOM 699 CA THR A 50 6.356 -7.138 6.168 1.00 14.31 C ATOM 700 C THR A 50 5.425 -6.159 5.460 1.00 71.10 C ATOM 701 O THR A 50 5.843 -5.430 4.561 1.00 13.32 O ATOM 702 CB THR A 50 6.227 -8.523 5.506 1.00 51.50 C ATOM 703 OG1 THR A 50 7.142 -9.442 6.112 1.00 4.01 O ATOM 704 CG2 THR A 50 6.501 -8.435 4.012 1.00 43.03 C ATOM 0 H THR A 50 5.752 -8.117 7.920 1.00 15.52 H new ATOM 0 HA THR A 50 7.385 -6.792 6.070 1.00 14.31 H new ATOM 0 HB THR A 50 5.207 -8.879 5.652 1.00 51.50 H new ATOM 0 HG1 THR A 50 7.053 -10.321 5.687 1.00 4.01 H new ATOM 0 HG21 THR A 50 6.404 -9.425 3.565 1.00 43.03 H new ATOM 0 HG22 THR A 50 5.784 -7.757 3.550 1.00 43.03 H new ATOM 0 HG23 THR A 50 7.512 -8.061 3.849 1.00 43.03 H new ATOM 712 N VAL A 51 4.161 -6.149 5.871 1.00 23.21 N ATOM 713 CA VAL A 51 3.171 -5.259 5.277 1.00 63.13 C ATOM 714 C VAL A 51 3.528 -3.797 5.523 1.00 30.24 C ATOM 715 O VAL A 51 3.534 -2.984 4.600 1.00 60.12 O ATOM 716 CB VAL A 51 1.763 -5.534 5.836 1.00 40.32 C ATOM 717 CG1 VAL A 51 0.703 -4.896 4.949 1.00 63.12 C ATOM 718 CG2 VAL A 51 1.525 -7.030 5.972 1.00 15.15 C ATOM 0 H VAL A 51 3.799 -6.747 6.613 1.00 23.21 H new ATOM 0 HA VAL A 51 3.172 -5.454 4.205 1.00 63.13 H new ATOM 0 HB VAL A 51 1.692 -5.087 6.828 1.00 40.32 H new ATOM 0 HG11 VAL A 51 -0.286 -5.101 5.359 1.00 63.12 H new ATOM 0 HG12 VAL A 51 0.863 -3.819 4.908 1.00 63.12 H new ATOM 0 HG13 VAL A 51 0.772 -5.311 3.944 1.00 63.12 H new ATOM 0 HG21 VAL A 51 0.525 -7.205 6.369 1.00 15.15 H new ATOM 0 HG22 VAL A 51 1.616 -7.503 4.994 1.00 15.15 H new ATOM 0 HG23 VAL A 51 2.264 -7.456 6.651 1.00 15.15 H new ATOM 728 N GLY A 52 3.827 -3.470 6.777 1.00 34.11 N ATOM 729 CA GLY A 52 4.181 -2.107 7.124 1.00 1.14 C ATOM 730 C GLY A 52 5.383 -1.605 6.347 1.00 43.01 C ATOM 731 O GLY A 52 5.522 -0.404 6.115 1.00 23.20 O ATOM 0 H GLY A 52 3.830 -4.126 7.558 1.00 34.11 H new ATOM 0 HA2 GLY A 52 3.330 -1.454 6.933 1.00 1.14 H new ATOM 0 HA3 GLY A 52 4.393 -2.050 8.192 1.00 1.14 H new ATOM 735 N GLN A 53 6.252 -2.526 5.946 1.00 3.35 N ATOM 736 CA GLN A 53 7.449 -2.169 5.192 1.00 31.33 C ATOM 737 C GLN A 53 7.082 -1.576 3.836 1.00 11.14 C ATOM 738 O GLN A 53 7.607 -0.533 3.440 1.00 21.30 O ATOM 739 CB GLN A 53 8.341 -3.396 5.000 1.00 34.33 C ATOM 740 CG GLN A 53 8.709 -4.092 6.301 1.00 54.41 C ATOM 741 CD GLN A 53 10.177 -3.948 6.646 1.00 12.44 C ATOM 742 OE1 GLN A 53 10.577 -3.004 7.330 1.00 3.50 O ATOM 743 NE2 GLN A 53 10.991 -4.885 6.175 1.00 20.25 N ATOM 0 H GLN A 53 6.151 -3.524 6.130 1.00 3.35 H new ATOM 0 HA GLN A 53 7.995 -1.417 5.761 1.00 31.33 H new ATOM 0 HB2 GLN A 53 7.832 -4.107 4.349 1.00 34.33 H new ATOM 0 HB3 GLN A 53 9.255 -3.094 4.488 1.00 34.33 H new ATOM 0 HG2 GLN A 53 8.107 -3.680 7.111 1.00 54.41 H new ATOM 0 HG3 GLN A 53 8.460 -5.150 6.225 1.00 54.41 H new ATOM 0 HE21 GLN A 53 10.617 -5.649 5.613 1.00 20.25 H new ATOM 0 HE22 GLN A 53 11.990 -4.840 6.376 1.00 20.25 H new ATOM 750 N LEU A 54 6.179 -2.244 3.128 1.00 1.00 N ATOM 751 CA LEU A 54 5.741 -1.783 1.815 1.00 35.14 C ATOM 752 C LEU A 54 4.667 -0.708 1.946 1.00 20.40 C ATOM 753 O LEU A 54 4.577 0.198 1.118 1.00 24.25 O ATOM 754 CB LEU A 54 5.207 -2.957 0.993 1.00 11.54 C ATOM 755 CG LEU A 54 3.721 -3.274 1.162 1.00 53.12 C ATOM 756 CD1 LEU A 54 2.885 -2.449 0.197 1.00 42.32 C ATOM 757 CD2 LEU A 54 3.466 -4.760 0.957 1.00 42.33 C ATOM 0 H LEU A 54 5.735 -3.107 3.441 1.00 1.00 H new ATOM 0 HA LEU A 54 6.601 -1.351 1.303 1.00 35.14 H new ATOM 0 HB2 LEU A 54 5.397 -2.753 -0.061 1.00 11.54 H new ATOM 0 HB3 LEU A 54 5.780 -3.847 1.253 1.00 11.54 H new ATOM 0 HG LEU A 54 3.427 -3.012 2.178 1.00 53.12 H new ATOM 0 HD11 LEU A 54 1.830 -2.689 0.333 1.00 42.32 H new ATOM 0 HD12 LEU A 54 3.044 -1.389 0.393 1.00 42.32 H new ATOM 0 HD13 LEU A 54 3.180 -2.677 -0.827 1.00 42.32 H new ATOM 0 HD21 LEU A 54 2.403 -4.967 1.081 1.00 42.33 H new ATOM 0 HD22 LEU A 54 3.777 -5.047 -0.047 1.00 42.33 H new ATOM 0 HD23 LEU A 54 4.035 -5.331 1.690 1.00 42.33 H new ATOM 768 N VAL A 55 3.856 -0.814 2.993 1.00 11.43 N ATOM 769 CA VAL A 55 2.790 0.152 3.235 1.00 71.22 C ATOM 770 C VAL A 55 3.349 1.561 3.384 1.00 55.40 C ATOM 771 O VAL A 55 2.675 2.543 3.075 1.00 54.12 O ATOM 772 CB VAL A 55 1.984 -0.206 4.498 1.00 23.44 C ATOM 773 CG1 VAL A 55 2.490 0.585 5.695 1.00 73.54 C ATOM 774 CG2 VAL A 55 0.502 0.042 4.272 1.00 41.25 C ATOM 0 H VAL A 55 3.916 -1.559 3.687 1.00 11.43 H new ATOM 0 HA VAL A 55 2.129 0.117 2.369 1.00 71.22 H new ATOM 0 HB VAL A 55 2.122 -1.266 4.709 1.00 23.44 H new ATOM 0 HG11 VAL A 55 1.909 0.320 6.578 1.00 73.54 H new ATOM 0 HG12 VAL A 55 3.541 0.351 5.868 1.00 73.54 H new ATOM 0 HG13 VAL A 55 2.383 1.652 5.498 1.00 73.54 H new ATOM 0 HG21 VAL A 55 -0.052 -0.216 5.175 1.00 41.25 H new ATOM 0 HG22 VAL A 55 0.341 1.094 4.036 1.00 41.25 H new ATOM 0 HG23 VAL A 55 0.152 -0.573 3.443 1.00 41.25 H new ATOM 784 N ASN A 56 4.587 1.654 3.860 1.00 51.45 N ATOM 785 CA ASN A 56 5.237 2.946 4.050 1.00 33.52 C ATOM 786 C ASN A 56 5.549 3.601 2.709 1.00 15.41 C ATOM 787 O ASN A 56 5.359 4.806 2.537 1.00 64.31 O ATOM 788 CB ASN A 56 6.524 2.777 4.860 1.00 20.23 C ATOM 789 CG ASN A 56 6.347 3.159 6.316 1.00 73.01 C ATOM 790 OD1 ASN A 56 5.932 4.274 6.630 1.00 54.44 O ATOM 791 ND2 ASN A 56 6.662 2.233 7.214 1.00 4.12 N ATOM 0 H ASN A 56 5.159 0.851 4.121 1.00 51.45 H new ATOM 0 HA ASN A 56 4.552 3.593 4.598 1.00 33.52 H new ATOM 0 HB2 ASN A 56 6.856 1.741 4.797 1.00 20.23 H new ATOM 0 HB3 ASN A 56 7.310 3.390 4.420 1.00 20.23 H new ATOM 0 HD21 ASN A 56 6.563 2.433 8.209 1.00 4.12 H new ATOM 0 HD22 ASN A 56 7.003 1.321 6.909 1.00 4.12 H new ATOM 797 N GLU A 57 6.027 2.801 1.762 1.00 41.01 N ATOM 798 CA GLU A 57 6.365 3.304 0.436 1.00 63.44 C ATOM 799 C GLU A 57 5.131 3.867 -0.263 1.00 61.02 C ATOM 800 O GLU A 57 5.215 4.850 -0.999 1.00 72.05 O ATOM 801 CB GLU A 57 6.982 2.191 -0.414 1.00 2.42 C ATOM 802 CG GLU A 57 8.048 2.683 -1.380 1.00 34.41 C ATOM 803 CD GLU A 57 9.172 3.421 -0.679 1.00 14.33 C ATOM 804 OE1 GLU A 57 10.091 2.752 -0.164 1.00 70.42 O ATOM 805 OE2 GLU A 57 9.133 4.670 -0.646 1.00 62.13 O ATOM 0 H GLU A 57 6.189 1.802 1.888 1.00 41.01 H new ATOM 0 HA GLU A 57 7.093 4.107 0.555 1.00 63.44 H new ATOM 0 HB2 GLU A 57 7.419 1.442 0.246 1.00 2.42 H new ATOM 0 HB3 GLU A 57 6.192 1.696 -0.979 1.00 2.42 H new ATOM 0 HG2 GLU A 57 8.460 1.833 -1.925 1.00 34.41 H new ATOM 0 HG3 GLU A 57 7.589 3.342 -2.117 1.00 34.41 H new ATOM 810 N ALA A 58 3.985 3.236 -0.028 1.00 54.04 N ATOM 811 CA ALA A 58 2.733 3.675 -0.632 1.00 44.03 C ATOM 812 C ALA A 58 2.381 5.094 -0.200 1.00 21.31 C ATOM 813 O ALA A 58 2.112 5.958 -1.033 1.00 63.10 O ATOM 814 CB ALA A 58 1.608 2.716 -0.270 1.00 73.21 C ATOM 0 H ALA A 58 3.898 2.419 0.576 1.00 54.04 H new ATOM 0 HA ALA A 58 2.862 3.676 -1.714 1.00 44.03 H new ATOM 0 HB1 ALA A 58 0.679 3.056 -0.728 1.00 73.21 H new ATOM 0 HB2 ALA A 58 1.849 1.718 -0.636 1.00 73.21 H new ATOM 0 HB3 ALA A 58 1.489 2.687 0.813 1.00 73.21 H new ATOM 820 N ALA A 59 2.386 5.327 1.109 1.00 1.13 N ATOM 821 CA ALA A 59 2.068 6.642 1.651 1.00 33.34 C ATOM 822 C ALA A 59 3.035 7.700 1.127 1.00 21.31 C ATOM 823 O ALA A 59 2.649 8.846 0.896 1.00 21.53 O ATOM 824 CB ALA A 59 2.096 6.606 3.172 1.00 13.22 C ATOM 0 H ALA A 59 2.607 4.622 1.813 1.00 1.13 H new ATOM 0 HA ALA A 59 1.064 6.910 1.323 1.00 33.34 H new ATOM 0 HB1 ALA A 59 1.857 7.595 3.564 1.00 13.22 H new ATOM 0 HB2 ALA A 59 1.362 5.885 3.532 1.00 13.22 H new ATOM 0 HB3 ALA A 59 3.089 6.312 3.511 1.00 13.22 H new ATOM 830 N ARG A 60 4.292 7.307 0.944 1.00 41.14 N ATOM 831 CA ARG A 60 5.313 8.223 0.449 1.00 64.14 C ATOM 832 C ARG A 60 4.933 8.770 -0.924 1.00 54.43 C ATOM 833 O ARG A 60 5.035 9.972 -1.173 1.00 64.31 O ATOM 834 CB ARG A 60 6.667 7.515 0.370 1.00 74.14 C ATOM 835 CG ARG A 60 7.849 8.434 0.629 1.00 32.35 C ATOM 836 CD ARG A 60 8.296 8.371 2.082 1.00 22.22 C ATOM 837 NE ARG A 60 9.621 7.774 2.222 1.00 32.45 N ATOM 838 CZ ARG A 60 10.753 8.438 2.008 1.00 72.43 C ATOM 839 NH1 ARG A 60 10.718 9.713 1.646 1.00 15.04 N ATOM 840 NH2 ARG A 60 11.921 7.826 2.156 1.00 52.15 N ATOM 0 H ARG A 60 4.627 6.362 1.131 1.00 41.14 H new ATOM 0 HA ARG A 60 5.386 9.058 1.146 1.00 64.14 H new ATOM 0 HB2 ARG A 60 6.685 6.701 1.094 1.00 74.14 H new ATOM 0 HB3 ARG A 60 6.776 7.066 -0.617 1.00 74.14 H new ATOM 0 HG2 ARG A 60 8.678 8.154 -0.020 1.00 32.35 H new ATOM 0 HG3 ARG A 60 7.577 9.459 0.375 1.00 32.35 H new ATOM 0 HD2 ARG A 60 8.305 9.377 2.502 1.00 22.22 H new ATOM 0 HD3 ARG A 60 7.575 7.792 2.658 1.00 22.22 H new ATOM 0 HE ARG A 60 9.682 6.794 2.499 1.00 32.45 H new ATOM 0 HH11 ARG A 60 9.822 10.186 1.531 1.00 15.04 H new ATOM 0 HH12 ARG A 60 11.587 10.221 1.482 1.00 15.04 H new ATOM 0 HH21 ARG A 60 11.951 6.845 2.434 1.00 52.15 H new ATOM 0 HH22 ARG A 60 12.789 8.336 1.992 1.00 52.15 H new ATOM 851 N ALA A 61 4.495 7.882 -1.810 1.00 32.32 N ATOM 852 CA ALA A 61 4.099 8.277 -3.155 1.00 10.30 C ATOM 853 C ALA A 61 2.811 9.094 -3.131 1.00 22.01 C ATOM 854 O ALA A 61 2.666 10.063 -3.875 1.00 64.33 O ATOM 855 CB ALA A 61 3.931 7.049 -4.038 1.00 41.20 C ATOM 0 H ALA A 61 4.406 6.884 -1.620 1.00 32.32 H new ATOM 0 HA ALA A 61 4.888 8.904 -3.570 1.00 10.30 H new ATOM 0 HB1 ALA A 61 3.635 7.359 -5.040 1.00 41.20 H new ATOM 0 HB2 ALA A 61 4.875 6.506 -4.090 1.00 41.20 H new ATOM 0 HB3 ALA A 61 3.163 6.401 -3.617 1.00 41.20 H new ATOM 861 N MET A 62 1.879 8.695 -2.273 1.00 33.22 N ATOM 862 CA MET A 62 0.603 9.391 -2.152 1.00 72.42 C ATOM 863 C MET A 62 0.789 10.758 -1.500 1.00 22.20 C ATOM 864 O MET A 62 -0.045 11.649 -1.655 1.00 61.11 O ATOM 865 CB MET A 62 -0.384 8.554 -1.335 1.00 0.12 C ATOM 866 CG MET A 62 -0.697 7.204 -1.959 1.00 1.41 C ATOM 867 SD MET A 62 -1.420 7.349 -3.604 1.00 1.33 S ATOM 868 CE MET A 62 -3.162 7.458 -3.200 1.00 4.23 C ATOM 0 H MET A 62 1.983 7.893 -1.651 1.00 33.22 H new ATOM 0 HA MET A 62 0.201 9.537 -3.155 1.00 72.42 H new ATOM 0 HB2 MET A 62 0.024 8.398 -0.336 1.00 0.12 H new ATOM 0 HB3 MET A 62 -1.312 9.114 -1.216 1.00 0.12 H new ATOM 0 HG2 MET A 62 0.218 6.615 -2.019 1.00 1.41 H new ATOM 0 HG3 MET A 62 -1.384 6.659 -1.311 1.00 1.41 H new ATOM 0 HE1 MET A 62 -3.706 7.881 -4.045 1.00 4.23 H new ATOM 0 HE2 MET A 62 -3.548 6.462 -2.982 1.00 4.23 H new ATOM 0 HE3 MET A 62 -3.294 8.097 -2.327 1.00 4.23 H new ATOM 876 N GLY A 63 1.889 10.916 -0.771 1.00 35.33 N ATOM 877 CA GLY A 63 2.164 12.177 -0.107 1.00 32.33 C ATOM 878 C GLY A 63 1.538 12.256 1.271 1.00 72.31 C ATOM 879 O GLY A 63 1.137 13.330 1.719 1.00 70.22 O ATOM 0 H GLY A 63 2.595 10.194 -0.628 1.00 35.33 H new ATOM 0 HA2 GLY A 63 3.242 12.311 -0.021 1.00 32.33 H new ATOM 0 HA3 GLY A 63 1.789 12.996 -0.720 1.00 32.33 H new ATOM 883 N LEU A 64 1.454 11.114 1.946 1.00 53.53 N ATOM 884 CA LEU A 64 0.870 11.057 3.282 1.00 5.44 C ATOM 885 C LEU A 64 1.942 11.230 4.352 1.00 30.02 C ATOM 886 O LEU A 64 3.066 11.641 4.060 1.00 42.44 O ATOM 887 CB LEU A 64 0.140 9.728 3.484 1.00 20.53 C ATOM 888 CG LEU A 64 -0.722 9.250 2.315 1.00 54.12 C ATOM 889 CD1 LEU A 64 -1.681 8.162 2.770 1.00 44.05 C ATOM 890 CD2 LEU A 64 -1.486 10.416 1.705 1.00 14.11 C ATOM 0 H LEU A 64 1.783 10.216 1.590 1.00 53.53 H new ATOM 0 HA LEU A 64 0.155 11.875 3.375 1.00 5.44 H new ATOM 0 HB2 LEU A 64 0.881 8.959 3.701 1.00 20.53 H new ATOM 0 HB3 LEU A 64 -0.495 9.816 4.365 1.00 20.53 H new ATOM 0 HG LEU A 64 -0.066 8.832 1.551 1.00 54.12 H new ATOM 0 HD11 LEU A 64 -2.286 7.834 1.925 1.00 44.05 H new ATOM 0 HD12 LEU A 64 -1.114 7.317 3.160 1.00 44.05 H new ATOM 0 HD13 LEU A 64 -2.331 8.554 3.552 1.00 44.05 H new ATOM 0 HD21 LEU A 64 -2.094 10.058 0.874 1.00 14.11 H new ATOM 0 HD22 LEU A 64 -2.131 10.863 2.461 1.00 14.11 H new ATOM 0 HD23 LEU A 64 -0.780 11.163 1.342 1.00 14.11 H new ATOM 901 N SER A 65 1.589 10.910 5.594 1.00 1.00 N ATOM 902 CA SER A 65 2.521 11.032 6.708 1.00 71.12 C ATOM 903 C SER A 65 2.107 10.125 7.863 1.00 31.24 C ATOM 904 O SER A 65 2.691 9.062 8.072 1.00 31.13 O ATOM 905 CB SER A 65 2.593 12.484 7.185 1.00 75.34 C ATOM 906 OG SER A 65 3.219 12.573 8.453 1.00 52.51 O ATOM 0 H SER A 65 0.665 10.565 5.853 1.00 1.00 H new ATOM 0 HA SER A 65 3.507 10.723 6.361 1.00 71.12 H new ATOM 0 HB2 SER A 65 3.146 13.081 6.460 1.00 75.34 H new ATOM 0 HB3 SER A 65 1.588 12.902 7.242 1.00 75.34 H new ATOM 0 HG SER A 65 3.254 13.511 8.735 1.00 52.51 H new ATOM 911 N ALA A 66 1.095 10.554 8.611 1.00 23.53 N ATOM 912 CA ALA A 66 0.601 9.781 9.744 1.00 22.03 C ATOM 913 C ALA A 66 -0.286 8.631 9.278 1.00 73.22 C ATOM 914 O ALA A 66 -0.606 7.729 10.051 1.00 74.53 O ATOM 915 CB ALA A 66 -0.161 10.681 10.705 1.00 2.42 C ATOM 0 H ALA A 66 0.602 11.433 8.453 1.00 23.53 H new ATOM 0 HA ALA A 66 1.459 9.356 10.265 1.00 22.03 H new ATOM 0 HB1 ALA A 66 -0.524 10.090 11.546 1.00 2.42 H new ATOM 0 HB2 ALA A 66 0.501 11.465 11.071 1.00 2.42 H new ATOM 0 HB3 ALA A 66 -1.007 11.133 10.187 1.00 2.42 H new ATOM 921 N VAL A 67 -0.680 8.669 8.010 1.00 2.41 N ATOM 922 CA VAL A 67 -1.530 7.630 7.441 1.00 43.13 C ATOM 923 C VAL A 67 -0.841 6.271 7.487 1.00 62.43 C ATOM 924 O VAL A 67 -1.484 5.232 7.337 1.00 3.23 O ATOM 925 CB VAL A 67 -1.911 7.952 5.983 1.00 22.42 C ATOM 926 CG1 VAL A 67 -2.809 6.864 5.414 1.00 11.14 C ATOM 927 CG2 VAL A 67 -2.587 9.311 5.897 1.00 51.33 C ATOM 0 H VAL A 67 -0.424 9.409 7.356 1.00 2.41 H new ATOM 0 HA VAL A 67 -2.436 7.595 8.046 1.00 43.13 H new ATOM 0 HB VAL A 67 -0.999 7.987 5.386 1.00 22.42 H new ATOM 0 HG11 VAL A 67 -3.068 7.108 4.384 1.00 11.14 H new ATOM 0 HG12 VAL A 67 -2.284 5.909 5.440 1.00 11.14 H new ATOM 0 HG13 VAL A 67 -3.719 6.794 6.010 1.00 11.14 H new ATOM 0 HG21 VAL A 67 -2.849 9.522 4.860 1.00 51.33 H new ATOM 0 HG22 VAL A 67 -3.491 9.307 6.506 1.00 51.33 H new ATOM 0 HG23 VAL A 67 -1.906 10.080 6.263 1.00 51.33 H new ATOM 937 N ALA A 68 0.471 6.286 7.696 1.00 53.11 N ATOM 938 CA ALA A 68 1.248 5.054 7.764 1.00 74.05 C ATOM 939 C ALA A 68 0.520 3.991 8.581 1.00 43.05 C ATOM 940 O ALA A 68 0.431 4.087 9.804 1.00 73.31 O ATOM 941 CB ALA A 68 2.622 5.329 8.357 1.00 72.43 C ATOM 0 H ALA A 68 1.018 7.137 7.821 1.00 53.11 H new ATOM 0 HA ALA A 68 1.372 4.674 6.750 1.00 74.05 H new ATOM 0 HB1 ALA A 68 3.191 4.401 8.402 1.00 72.43 H new ATOM 0 HB2 ALA A 68 3.151 6.049 7.732 1.00 72.43 H new ATOM 0 HB3 ALA A 68 2.510 5.735 9.362 1.00 72.43 H new ATOM 947 N MET A 69 0.000 2.978 7.894 1.00 51.13 N ATOM 948 CA MET A 69 -0.720 1.896 8.557 1.00 1.14 C ATOM 949 C MET A 69 -2.002 2.412 9.202 1.00 51.00 C ATOM 950 O MET A 69 -2.056 2.685 10.402 1.00 41.35 O ATOM 951 CB MET A 69 0.167 1.237 9.615 1.00 22.02 C ATOM 952 CG MET A 69 1.633 1.163 9.218 1.00 44.53 C ATOM 953 SD MET A 69 2.433 -0.347 9.793 1.00 71.53 S ATOM 954 CE MET A 69 1.407 -1.591 9.012 1.00 30.01 C ATOM 0 H MET A 69 0.064 2.884 6.880 1.00 51.13 H new ATOM 0 HA MET A 69 -0.986 1.155 7.803 1.00 1.14 H new ATOM 0 HB2 MET A 69 0.079 1.793 10.548 1.00 22.02 H new ATOM 0 HB3 MET A 69 -0.200 0.229 9.809 1.00 22.02 H new ATOM 0 HG2 MET A 69 1.715 1.222 8.133 1.00 44.53 H new ATOM 0 HG3 MET A 69 2.160 2.026 9.625 1.00 44.53 H new ATOM 0 HE1 MET A 69 1.996 -2.491 8.837 1.00 30.01 H new ATOM 0 HE2 MET A 69 0.565 -1.829 9.662 1.00 30.01 H new ATOM 0 HE3 MET A 69 1.034 -1.211 8.061 1.00 30.01 H new ATOM 962 N PRO A 70 -3.061 2.550 8.390 1.00 21.14 N ATOM 963 CA PRO A 70 -4.362 3.034 8.860 1.00 63.41 C ATOM 964 C PRO A 70 -5.064 2.025 9.764 1.00 3.32 C ATOM 965 O PRO A 70 -5.830 2.399 10.651 1.00 32.30 O ATOM 966 CB PRO A 70 -5.155 3.234 7.566 1.00 4.12 C ATOM 967 CG PRO A 70 -4.527 2.302 6.589 1.00 61.41 C ATOM 968 CD PRO A 70 -3.068 2.244 6.949 1.00 50.33 C ATOM 0 HA PRO A 70 -4.267 3.938 9.462 1.00 63.41 H new ATOM 0 HB2 PRO A 70 -6.211 3.005 7.709 1.00 4.12 H new ATOM 0 HB3 PRO A 70 -5.097 4.267 7.222 1.00 4.12 H new ATOM 0 HG2 PRO A 70 -4.982 1.313 6.645 1.00 61.41 H new ATOM 0 HG3 PRO A 70 -4.663 2.658 5.568 1.00 61.41 H new ATOM 0 HD2 PRO A 70 -2.642 1.262 6.744 1.00 50.33 H new ATOM 0 HD3 PRO A 70 -2.485 2.969 6.381 1.00 50.33 H new ATOM 973 N THR A 71 -4.796 0.743 9.532 1.00 40.52 N ATOM 974 CA THR A 71 -5.402 -0.319 10.324 1.00 11.42 C ATOM 975 C THR A 71 -4.764 -1.668 10.014 1.00 25.24 C ATOM 976 O THR A 71 -3.900 -1.771 9.144 1.00 44.23 O ATOM 977 CB THR A 71 -6.919 -0.411 10.072 1.00 73.30 C ATOM 978 OG1 THR A 71 -7.521 -1.292 11.029 1.00 3.14 O ATOM 979 CG2 THR A 71 -7.205 -0.911 8.664 1.00 74.34 C ATOM 0 H THR A 71 -4.163 0.416 8.802 1.00 40.52 H new ATOM 0 HA THR A 71 -5.229 -0.071 11.371 1.00 11.42 H new ATOM 0 HB THR A 71 -7.344 0.587 10.178 1.00 73.30 H new ATOM 0 HG1 THR A 71 -8.486 -1.344 10.864 1.00 3.14 H new ATOM 0 HG21 THR A 71 -8.283 -0.968 8.510 1.00 74.34 H new ATOM 0 HG22 THR A 71 -6.770 -0.224 7.938 1.00 74.34 H new ATOM 0 HG23 THR A 71 -6.767 -1.901 8.533 1.00 74.34 H new ATOM 987 N ASN A 72 -5.195 -2.700 10.731 1.00 65.31 N ATOM 988 CA ASN A 72 -4.665 -4.045 10.532 1.00 5.51 C ATOM 989 C ASN A 72 -4.696 -4.428 9.055 1.00 12.24 C ATOM 990 O ASN A 72 -5.625 -4.074 8.330 1.00 62.13 O ATOM 991 CB ASN A 72 -5.467 -5.058 11.350 1.00 61.15 C ATOM 992 CG ASN A 72 -4.695 -6.338 11.604 1.00 4.22 C ATOM 993 OD1 ASN A 72 -3.514 -6.440 11.270 1.00 3.05 O ATOM 994 ND2 ASN A 72 -5.359 -7.322 12.198 1.00 70.51 N ATOM 0 H ASN A 72 -5.910 -2.631 11.455 1.00 65.31 H new ATOM 0 HA ASN A 72 -3.629 -4.054 10.870 1.00 5.51 H new ATOM 0 HB2 ASN A 72 -5.747 -4.611 12.304 1.00 61.15 H new ATOM 0 HB3 ASN A 72 -6.393 -5.294 10.825 1.00 61.15 H new ATOM 0 HD21 ASN A 72 -4.891 -8.207 12.395 1.00 70.51 H new ATOM 0 HD22 ASN A 72 -6.337 -7.193 12.457 1.00 70.51 H new ATOM 1000 N PHE A 73 -3.671 -5.152 8.617 1.00 63.35 N ATOM 1001 CA PHE A 73 -3.580 -5.584 7.227 1.00 22.23 C ATOM 1002 C PHE A 73 -3.481 -7.103 7.134 1.00 22.41 C ATOM 1003 O PHE A 73 -3.713 -7.688 6.076 1.00 75.32 O ATOM 1004 CB PHE A 73 -2.369 -4.940 6.549 1.00 34.33 C ATOM 1005 CG PHE A 73 -2.601 -3.515 6.133 1.00 75.43 C ATOM 1006 CD1 PHE A 73 -3.573 -3.203 5.196 1.00 22.44 C ATOM 1007 CD2 PHE A 73 -1.848 -2.488 6.679 1.00 71.31 C ATOM 1008 CE1 PHE A 73 -3.788 -1.894 4.811 1.00 43.13 C ATOM 1009 CE2 PHE A 73 -2.059 -1.177 6.298 1.00 74.14 C ATOM 1010 CZ PHE A 73 -3.031 -0.879 5.363 1.00 34.00 C ATOM 0 H PHE A 73 -2.892 -5.452 9.204 1.00 63.35 H new ATOM 0 HA PHE A 73 -4.487 -5.265 6.714 1.00 22.23 H new ATOM 0 HB2 PHE A 73 -1.519 -4.977 7.230 1.00 34.33 H new ATOM 0 HB3 PHE A 73 -2.100 -5.527 5.671 1.00 34.33 H new ATOM 0 HD1 PHE A 73 -4.169 -3.992 4.762 1.00 22.44 H new ATOM 0 HD2 PHE A 73 -1.087 -2.715 7.411 1.00 71.31 H new ATOM 0 HE1 PHE A 73 -4.548 -1.664 4.079 1.00 43.13 H new ATOM 0 HE2 PHE A 73 -1.465 -0.386 6.731 1.00 74.14 H new ATOM 0 HZ PHE A 73 -3.199 0.145 5.064 1.00 34.00 H new ATOM 1019 N ALA A 74 -3.131 -7.737 8.250 1.00 44.45 N ATOM 1020 CA ALA A 74 -3.003 -9.188 8.296 1.00 21.33 C ATOM 1021 C ALA A 74 -4.286 -9.868 7.832 1.00 71.40 C ATOM 1022 O ALA A 74 -4.281 -11.045 7.469 1.00 5.40 O ATOM 1023 CB ALA A 74 -2.641 -9.641 9.702 1.00 31.22 C ATOM 0 H ALA A 74 -2.931 -7.268 9.133 1.00 44.45 H new ATOM 0 HA ALA A 74 -2.203 -9.479 7.615 1.00 21.33 H new ATOM 0 HB1 ALA A 74 -2.549 -10.727 9.722 1.00 31.22 H new ATOM 0 HB2 ALA A 74 -1.693 -9.191 9.997 1.00 31.22 H new ATOM 0 HB3 ALA A 74 -3.422 -9.331 10.397 1.00 31.22 H new ATOM 1029 N THR A 75 -5.386 -9.121 7.848 1.00 45.11 N ATOM 1030 CA THR A 75 -6.677 -9.653 7.430 1.00 22.12 C ATOM 1031 C THR A 75 -7.292 -8.799 6.327 1.00 61.31 C ATOM 1032 O THR A 75 -8.461 -8.966 5.980 1.00 25.21 O ATOM 1033 CB THR A 75 -7.661 -9.731 8.613 1.00 14.24 C ATOM 1034 OG1 THR A 75 -8.920 -10.250 8.170 1.00 22.15 O ATOM 1035 CG2 THR A 75 -7.865 -8.359 9.239 1.00 22.40 C ATOM 0 H THR A 75 -5.408 -8.146 8.146 1.00 45.11 H new ATOM 0 HA THR A 75 -6.497 -10.658 7.049 1.00 22.12 H new ATOM 0 HB THR A 75 -7.238 -10.397 9.365 1.00 14.24 H new ATOM 0 HG1 THR A 75 -9.241 -9.724 7.408 1.00 22.15 H new ATOM 0 HG21 THR A 75 -8.564 -8.439 10.072 1.00 22.40 H new ATOM 0 HG22 THR A 75 -6.910 -7.979 9.602 1.00 22.40 H new ATOM 0 HG23 THR A 75 -8.268 -7.675 8.492 1.00 22.40 H new ATOM 1043 N ALA A 76 -6.498 -7.886 5.780 1.00 43.24 N ATOM 1044 CA ALA A 76 -6.965 -7.008 4.713 1.00 21.34 C ATOM 1045 C ALA A 76 -6.382 -7.423 3.366 1.00 60.55 C ATOM 1046 O ALA A 76 -5.476 -8.255 3.299 1.00 44.54 O ATOM 1047 CB ALA A 76 -6.605 -5.563 5.023 1.00 60.41 C ATOM 0 H ALA A 76 -5.528 -7.734 6.057 1.00 43.24 H new ATOM 0 HA ALA A 76 -8.050 -7.096 4.653 1.00 21.34 H new ATOM 0 HB1 ALA A 76 -6.960 -4.919 4.218 1.00 60.41 H new ATOM 0 HB2 ALA A 76 -7.074 -5.264 5.960 1.00 60.41 H new ATOM 0 HB3 ALA A 76 -5.523 -5.469 5.113 1.00 60.41 H new ATOM 1053 N THR A 77 -6.909 -6.840 2.293 1.00 72.31 N ATOM 1054 CA THR A 77 -6.443 -7.151 0.948 1.00 55.51 C ATOM 1055 C THR A 77 -5.888 -5.910 0.259 1.00 12.40 C ATOM 1056 O THR A 77 -6.001 -4.797 0.773 1.00 74.55 O ATOM 1057 CB THR A 77 -7.574 -7.742 0.084 1.00 21.25 C ATOM 1058 OG1 THR A 77 -8.534 -6.726 -0.228 1.00 32.03 O ATOM 1059 CG2 THR A 77 -8.260 -8.892 0.805 1.00 70.31 C ATOM 0 H THR A 77 -7.659 -6.150 2.330 1.00 72.31 H new ATOM 0 HA THR A 77 -5.650 -7.892 1.051 1.00 55.51 H new ATOM 0 HB THR A 77 -7.136 -8.122 -0.839 1.00 21.25 H new ATOM 0 HG1 THR A 77 -9.248 -7.109 -0.779 1.00 32.03 H new ATOM 0 HG21 THR A 77 -9.055 -9.293 0.176 1.00 70.31 H new ATOM 0 HG22 THR A 77 -7.532 -9.676 1.015 1.00 70.31 H new ATOM 0 HG23 THR A 77 -8.685 -8.532 1.742 1.00 70.31 H new ATOM 1067 N VAL A 78 -5.287 -6.107 -0.910 1.00 64.12 N ATOM 1068 CA VAL A 78 -4.714 -5.003 -1.672 1.00 43.35 C ATOM 1069 C VAL A 78 -5.745 -3.903 -1.903 1.00 21.32 C ATOM 1070 O VAL A 78 -5.416 -2.717 -1.881 1.00 41.40 O ATOM 1071 CB VAL A 78 -4.176 -5.481 -3.034 1.00 13.40 C ATOM 1072 CG1 VAL A 78 -3.148 -6.585 -2.844 1.00 12.31 C ATOM 1073 CG2 VAL A 78 -5.318 -5.950 -3.923 1.00 41.10 C ATOM 0 H VAL A 78 -5.184 -7.021 -1.350 1.00 64.12 H new ATOM 0 HA VAL A 78 -3.888 -4.606 -1.083 1.00 43.35 H new ATOM 0 HB VAL A 78 -3.685 -4.642 -3.526 1.00 13.40 H new ATOM 0 HG11 VAL A 78 -2.779 -6.910 -3.817 1.00 12.31 H new ATOM 0 HG12 VAL A 78 -2.317 -6.209 -2.248 1.00 12.31 H new ATOM 0 HG13 VAL A 78 -3.610 -7.428 -2.331 1.00 12.31 H new ATOM 0 HG21 VAL A 78 -4.920 -6.284 -4.881 1.00 41.10 H new ATOM 0 HG22 VAL A 78 -5.840 -6.776 -3.439 1.00 41.10 H new ATOM 0 HG23 VAL A 78 -6.014 -5.127 -4.086 1.00 41.10 H new ATOM 1083 N ARG A 79 -6.993 -4.305 -2.122 1.00 24.15 N ATOM 1084 CA ARG A 79 -8.071 -3.353 -2.358 1.00 41.13 C ATOM 1085 C ARG A 79 -8.331 -2.508 -1.114 1.00 44.44 C ATOM 1086 O ARG A 79 -8.517 -1.295 -1.204 1.00 42.11 O ATOM 1087 CB ARG A 79 -9.350 -4.088 -2.765 1.00 75.52 C ATOM 1088 CG ARG A 79 -10.520 -3.162 -3.053 1.00 3.33 C ATOM 1089 CD ARG A 79 -10.162 -2.124 -4.105 1.00 0.14 C ATOM 1090 NE ARG A 79 -11.234 -1.938 -5.079 1.00 22.24 N ATOM 1091 CZ ARG A 79 -11.545 -2.835 -6.008 1.00 23.11 C ATOM 1092 NH1 ARG A 79 -10.869 -3.973 -6.089 1.00 52.41 N ATOM 1093 NH2 ARG A 79 -12.534 -2.594 -6.859 1.00 51.24 N ATOM 0 H ARG A 79 -7.282 -5.283 -2.141 1.00 24.15 H new ATOM 0 HA ARG A 79 -7.767 -2.692 -3.169 1.00 41.13 H new ATOM 0 HB2 ARG A 79 -9.147 -4.689 -3.651 1.00 75.52 H new ATOM 0 HB3 ARG A 79 -9.631 -4.778 -1.969 1.00 75.52 H new ATOM 0 HG2 ARG A 79 -11.374 -3.748 -3.394 1.00 3.33 H new ATOM 0 HG3 ARG A 79 -10.824 -2.661 -2.134 1.00 3.33 H new ATOM 0 HD2 ARG A 79 -9.947 -1.173 -3.617 1.00 0.14 H new ATOM 0 HD3 ARG A 79 -9.252 -2.430 -4.622 1.00 0.14 H new ATOM 0 HE ARG A 79 -11.773 -1.073 -5.044 1.00 22.24 H new ATOM 0 HH11 ARG A 79 -10.108 -4.162 -5.437 1.00 52.41 H new ATOM 0 HH12 ARG A 79 -11.110 -4.660 -6.804 1.00 52.41 H new ATOM 0 HH21 ARG A 79 -13.056 -1.720 -6.800 1.00 51.24 H new ATOM 0 HH22 ARG A 79 -12.772 -3.283 -7.572 1.00 51.24 H new ATOM 1104 N GLU A 80 -8.344 -3.158 0.045 1.00 72.44 N ATOM 1105 CA GLU A 80 -8.584 -2.466 1.306 1.00 34.32 C ATOM 1106 C GLU A 80 -7.488 -1.440 1.580 1.00 50.52 C ATOM 1107 O GLU A 80 -7.770 -0.287 1.907 1.00 71.22 O ATOM 1108 CB GLU A 80 -8.657 -3.470 2.459 1.00 4.31 C ATOM 1109 CG GLU A 80 -10.046 -4.046 2.677 1.00 2.13 C ATOM 1110 CD GLU A 80 -10.466 -4.019 4.134 1.00 22.31 C ATOM 1111 OE1 GLU A 80 -9.619 -4.315 5.002 1.00 14.05 O ATOM 1112 OE2 GLU A 80 -11.643 -3.702 4.405 1.00 73.13 O ATOM 0 H GLU A 80 -8.191 -4.162 0.137 1.00 72.44 H new ATOM 0 HA GLU A 80 -9.537 -1.943 1.228 1.00 34.32 H new ATOM 0 HB2 GLU A 80 -7.961 -4.286 2.264 1.00 4.31 H new ATOM 0 HB3 GLU A 80 -8.327 -2.982 3.376 1.00 4.31 H new ATOM 0 HG2 GLU A 80 -10.766 -3.482 2.084 1.00 2.13 H new ATOM 0 HG3 GLU A 80 -10.070 -5.074 2.315 1.00 2.13 H new ATOM 1117 N MET A 81 -6.238 -1.867 1.443 1.00 24.15 N ATOM 1118 CA MET A 81 -5.099 -0.986 1.674 1.00 31.43 C ATOM 1119 C MET A 81 -5.080 0.156 0.662 1.00 72.03 C ATOM 1120 O MET A 81 -4.720 1.285 0.994 1.00 23.35 O ATOM 1121 CB MET A 81 -3.791 -1.775 1.594 1.00 44.22 C ATOM 1122 CG MET A 81 -2.551 -0.920 1.800 1.00 5.31 C ATOM 1123 SD MET A 81 -1.066 -1.669 1.102 1.00 73.35 S ATOM 1124 CE MET A 81 -0.627 -2.820 2.402 1.00 32.53 C ATOM 0 H MET A 81 -5.987 -2.818 1.173 1.00 24.15 H new ATOM 0 HA MET A 81 -5.198 -0.561 2.673 1.00 31.43 H new ATOM 0 HB2 MET A 81 -3.806 -2.565 2.345 1.00 44.22 H new ATOM 0 HB3 MET A 81 -3.729 -2.262 0.621 1.00 44.22 H new ATOM 0 HG2 MET A 81 -2.709 0.057 1.344 1.00 5.31 H new ATOM 0 HG3 MET A 81 -2.402 -0.754 2.867 1.00 5.31 H new ATOM 0 HE1 MET A 81 0.352 -2.559 2.804 1.00 32.53 H new ATOM 0 HE2 MET A 81 -1.371 -2.771 3.197 1.00 32.53 H new ATOM 0 HE3 MET A 81 -0.595 -3.831 1.997 1.00 32.53 H new ATOM 1132 N ALA A 82 -5.473 -0.146 -0.571 1.00 34.10 N ATOM 1133 CA ALA A 82 -5.502 0.855 -1.630 1.00 52.01 C ATOM 1134 C ALA A 82 -6.597 1.887 -1.378 1.00 13.10 C ATOM 1135 O ALA A 82 -6.345 3.091 -1.408 1.00 12.44 O ATOM 1136 CB ALA A 82 -5.704 0.187 -2.981 1.00 3.51 C ATOM 0 H ALA A 82 -5.776 -1.076 -0.861 1.00 34.10 H new ATOM 0 HA ALA A 82 -4.543 1.374 -1.634 1.00 52.01 H new ATOM 0 HB1 ALA A 82 -5.724 0.946 -3.763 1.00 3.51 H new ATOM 0 HB2 ALA A 82 -4.885 -0.507 -3.170 1.00 3.51 H new ATOM 0 HB3 ALA A 82 -6.648 -0.358 -2.980 1.00 3.51 H new ATOM 1142 N GLU A 83 -7.812 1.406 -1.132 1.00 11.24 N ATOM 1143 CA GLU A 83 -8.944 2.289 -0.877 1.00 0.11 C ATOM 1144 C GLU A 83 -8.687 3.165 0.345 1.00 54.21 C ATOM 1145 O GLU A 83 -9.092 4.326 0.387 1.00 11.11 O ATOM 1146 CB GLU A 83 -10.221 1.471 -0.673 1.00 22.21 C ATOM 1147 CG GLU A 83 -10.172 0.559 0.541 1.00 41.23 C ATOM 1148 CD GLU A 83 -11.491 -0.145 0.795 1.00 44.33 C ATOM 1149 OE1 GLU A 83 -12.298 -0.254 -0.151 1.00 11.41 O ATOM 1150 OE2 GLU A 83 -11.715 -0.588 1.941 1.00 24.33 O ATOM 0 H GLU A 83 -8.037 0.412 -1.104 1.00 11.24 H new ATOM 0 HA GLU A 83 -9.070 2.936 -1.745 1.00 0.11 H new ATOM 0 HB2 GLU A 83 -11.066 2.152 -0.572 1.00 22.21 H new ATOM 0 HB3 GLU A 83 -10.402 0.868 -1.563 1.00 22.21 H new ATOM 0 HG2 GLU A 83 -9.388 -0.185 0.400 1.00 41.23 H new ATOM 0 HG3 GLU A 83 -9.902 1.144 1.420 1.00 41.23 H new ATOM 1155 N ALA A 84 -8.012 2.599 1.341 1.00 65.20 N ATOM 1156 CA ALA A 84 -7.700 3.326 2.564 1.00 10.24 C ATOM 1157 C ALA A 84 -6.832 4.545 2.271 1.00 22.13 C ATOM 1158 O ALA A 84 -7.107 5.646 2.749 1.00 34.42 O ATOM 1159 CB ALA A 84 -7.007 2.410 3.561 1.00 12.11 C ATOM 0 H ALA A 84 -7.671 1.638 1.324 1.00 65.20 H new ATOM 0 HA ALA A 84 -8.637 3.675 2.999 1.00 10.24 H new ATOM 0 HB1 ALA A 84 -6.780 2.967 4.470 1.00 12.11 H new ATOM 0 HB2 ALA A 84 -7.662 1.573 3.802 1.00 12.11 H new ATOM 0 HB3 ALA A 84 -6.082 2.033 3.126 1.00 12.11 H new ATOM 1165 N LEU A 85 -5.782 4.342 1.482 1.00 43.20 N ATOM 1166 CA LEU A 85 -4.872 5.425 1.126 1.00 3.43 C ATOM 1167 C LEU A 85 -5.530 6.387 0.142 1.00 63.05 C ATOM 1168 O LEU A 85 -5.436 7.605 0.294 1.00 62.24 O ATOM 1169 CB LEU A 85 -3.586 4.859 0.520 1.00 51.24 C ATOM 1170 CG LEU A 85 -2.733 3.994 1.448 1.00 31.32 C ATOM 1171 CD1 LEU A 85 -1.744 3.164 0.643 1.00 11.15 C ATOM 1172 CD2 LEU A 85 -2.002 4.859 2.463 1.00 11.50 C ATOM 0 H LEU A 85 -5.540 3.438 1.077 1.00 43.20 H new ATOM 0 HA LEU A 85 -4.627 5.974 2.035 1.00 3.43 H new ATOM 0 HB2 LEU A 85 -3.851 4.266 -0.356 1.00 51.24 H new ATOM 0 HB3 LEU A 85 -2.976 5.691 0.169 1.00 51.24 H new ATOM 0 HG LEU A 85 -3.393 3.315 1.988 1.00 31.32 H new ATOM 0 HD11 LEU A 85 -1.145 2.554 1.320 1.00 11.15 H new ATOM 0 HD12 LEU A 85 -2.288 2.516 -0.044 1.00 11.15 H new ATOM 0 HD13 LEU A 85 -1.090 3.826 0.076 1.00 11.15 H new ATOM 0 HD21 LEU A 85 -1.400 4.225 3.115 1.00 11.50 H new ATOM 0 HD22 LEU A 85 -1.354 5.563 1.941 1.00 11.50 H new ATOM 0 HD23 LEU A 85 -2.728 5.410 3.062 1.00 11.50 H new ATOM 1183 N GLU A 86 -6.197 5.831 -0.866 1.00 11.34 N ATOM 1184 CA GLU A 86 -6.871 6.641 -1.873 1.00 52.41 C ATOM 1185 C GLU A 86 -7.970 7.491 -1.242 1.00 53.35 C ATOM 1186 O GLU A 86 -8.197 8.632 -1.645 1.00 32.53 O ATOM 1187 CB GLU A 86 -7.465 5.747 -2.964 1.00 40.40 C ATOM 1188 CG GLU A 86 -8.922 5.385 -2.727 1.00 74.02 C ATOM 1189 CD GLU A 86 -9.474 4.460 -3.794 1.00 22.53 C ATOM 1190 OE1 GLU A 86 -8.817 3.441 -4.094 1.00 21.10 O ATOM 1191 OE2 GLU A 86 -10.563 4.754 -4.329 1.00 12.55 O ATOM 0 H GLU A 86 -6.284 4.824 -1.006 1.00 11.34 H new ATOM 0 HA GLU A 86 -6.133 7.307 -2.320 1.00 52.41 H new ATOM 0 HB2 GLU A 86 -7.377 6.253 -3.925 1.00 40.40 H new ATOM 0 HB3 GLU A 86 -6.878 4.831 -3.031 1.00 40.40 H new ATOM 0 HG2 GLU A 86 -9.020 4.908 -1.752 1.00 74.02 H new ATOM 0 HG3 GLU A 86 -9.519 6.297 -2.697 1.00 74.02 H new ATOM 1196 N ALA A 87 -8.651 6.927 -0.250 1.00 31.41 N ATOM 1197 CA ALA A 87 -9.725 7.631 0.439 1.00 4.33 C ATOM 1198 C ALA A 87 -9.192 8.850 1.183 1.00 12.04 C ATOM 1199 O ALA A 87 -9.825 9.906 1.198 1.00 15.22 O ATOM 1200 CB ALA A 87 -10.441 6.694 1.400 1.00 21.24 C ATOM 0 H ALA A 87 -8.477 5.983 0.095 1.00 31.41 H new ATOM 0 HA ALA A 87 -10.438 7.977 -0.310 1.00 4.33 H new ATOM 0 HB1 ALA A 87 -11.240 7.234 1.907 1.00 21.24 H new ATOM 0 HB2 ALA A 87 -10.864 5.857 0.845 1.00 21.24 H new ATOM 0 HB3 ALA A 87 -9.732 6.318 2.138 1.00 21.24 H new