USER MOD reduce.3.24.130724 H: found=0, std=0, add=448, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 451 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 76 LYS NZ :NH3+ 176:sc= 1.19 (180deg=1.18) USER MOD Set 1.2: A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HD1:sc= -0.177 X(o=-0.18,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= 0.576 K(o=0.58,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.0218 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 113 N ALA A 12 16.225 87.687 42.193 1.00 0.00 N ATOM 114 CA ALA A 12 17.296 86.960 42.871 1.00 0.00 C ATOM 115 C ALA A 12 17.053 86.762 44.377 1.00 0.00 C ATOM 116 O ALA A 12 17.525 85.762 44.924 1.00 0.00 O ATOM 117 CB ALA A 12 18.627 87.684 42.613 1.00 0.00 C ATOM 0 HA ALA A 12 17.326 85.953 42.455 1.00 0.00 H new ATOM 0 HB1 ALA A 12 19.435 87.150 43.114 1.00 0.00 H new ATOM 0 HB2 ALA A 12 18.823 87.715 41.541 1.00 0.00 H new ATOM 0 HB3 ALA A 12 18.569 88.701 43.000 1.00 0.00 H new ATOM 123 N MET A 13 16.295 87.661 45.024 1.00 0.00 N ATOM 124 CA MET A 13 16.047 87.741 46.484 1.00 0.00 C ATOM 125 C MET A 13 15.423 86.477 47.116 1.00 0.00 C ATOM 126 O MET A 13 14.208 86.383 47.275 1.00 0.00 O ATOM 127 CB MET A 13 15.217 88.995 46.826 1.00 0.00 C ATOM 128 CG MET A 13 13.939 89.177 45.982 1.00 0.00 C ATOM 129 SD MET A 13 12.691 90.286 46.683 1.00 0.00 S ATOM 130 CE MET A 13 13.562 91.878 46.599 1.00 0.00 C ATOM 0 H MET A 13 15.806 88.399 44.517 1.00 0.00 H new ATOM 0 HA MET A 13 17.036 87.816 46.935 1.00 0.00 H new ATOM 0 HB2 MET A 13 14.937 88.952 47.879 1.00 0.00 H new ATOM 0 HB3 MET A 13 15.847 89.876 46.700 1.00 0.00 H new ATOM 0 HG2 MET A 13 14.224 89.554 45.000 1.00 0.00 H new ATOM 0 HG3 MET A 13 13.484 88.198 45.828 1.00 0.00 H new ATOM 0 HE1 MET A 13 12.921 92.665 46.996 1.00 0.00 H new ATOM 0 HE2 MET A 13 14.477 91.824 47.188 1.00 0.00 H new ATOM 0 HE3 MET A 13 13.811 92.102 45.562 1.00 0.00 H new ATOM 140 N GLU A 14 16.262 85.515 47.497 1.00 0.00 N ATOM 141 CA GLU A 14 15.866 84.149 47.879 1.00 0.00 C ATOM 142 C GLU A 14 15.190 83.392 46.715 1.00 0.00 C ATOM 143 O GLU A 14 14.208 82.669 46.876 1.00 0.00 O ATOM 144 CB GLU A 14 15.096 84.136 49.220 1.00 0.00 C ATOM 145 CG GLU A 14 15.663 83.118 50.226 1.00 0.00 C ATOM 146 CD GLU A 14 15.567 81.675 49.740 1.00 0.00 C ATOM 147 OE1 GLU A 14 14.435 81.155 49.577 1.00 0.00 O ATOM 148 OE2 GLU A 14 16.643 81.068 49.515 1.00 0.00 O ATOM 0 H GLU A 14 17.270 85.664 47.552 1.00 0.00 H new ATOM 0 HA GLU A 14 16.768 83.569 48.076 1.00 0.00 H new ATOM 0 HB2 GLU A 14 15.128 85.132 49.661 1.00 0.00 H new ATOM 0 HB3 GLU A 14 14.048 83.906 49.029 1.00 0.00 H new ATOM 0 HG2 GLU A 14 16.707 83.358 50.427 1.00 0.00 H new ATOM 0 HG3 GLU A 14 15.127 83.213 51.170 1.00 0.00 H new ATOM 155 N ILE A 15 15.690 83.630 45.494 1.00 0.00 N ATOM 156 CA ILE A 15 15.172 83.076 44.245 1.00 0.00 C ATOM 157 C ILE A 15 16.328 82.454 43.444 1.00 0.00 C ATOM 158 O ILE A 15 16.456 81.231 43.434 1.00 0.00 O ATOM 159 CB ILE A 15 14.377 84.136 43.451 1.00 0.00 C ATOM 160 CG1 ILE A 15 13.183 84.745 44.249 1.00 0.00 C ATOM 161 CG2 ILE A 15 13.842 83.544 42.136 1.00 0.00 C ATOM 162 CD1 ILE A 15 12.755 86.118 43.746 1.00 0.00 C ATOM 0 H ILE A 15 16.497 84.237 45.349 1.00 0.00 H new ATOM 0 HA ILE A 15 14.460 82.280 44.462 1.00 0.00 H new ATOM 0 HB ILE A 15 15.084 84.940 43.249 1.00 0.00 H new ATOM 0 HG12 ILE A 15 12.333 84.065 44.192 1.00 0.00 H new ATOM 0 HG13 ILE A 15 13.460 84.822 45.300 1.00 0.00 H new ATOM 0 HG21 ILE A 15 13.285 84.308 41.593 1.00 0.00 H new ATOM 0 HG22 ILE A 15 14.677 83.201 41.525 1.00 0.00 H new ATOM 0 HG23 ILE A 15 13.184 82.703 42.357 1.00 0.00 H new ATOM 0 HD11 ILE A 15 11.921 86.481 44.346 1.00 0.00 H new ATOM 0 HD12 ILE A 15 13.591 86.813 43.828 1.00 0.00 H new ATOM 0 HD13 ILE A 15 12.447 86.044 42.703 1.00 0.00 H new ATOM 174 N VAL A 16 17.164 83.266 42.789 1.00 0.00 N ATOM 175 CA VAL A 16 18.308 82.797 41.980 1.00 0.00 C ATOM 176 C VAL A 16 19.647 82.911 42.723 1.00 0.00 C ATOM 177 O VAL A 16 20.535 82.085 42.518 1.00 0.00 O ATOM 178 CB VAL A 16 18.315 83.465 40.583 1.00 0.00 C ATOM 179 CG1 VAL A 16 19.259 84.660 40.418 1.00 0.00 C ATOM 180 CG2 VAL A 16 18.673 82.449 39.489 1.00 0.00 C ATOM 0 H VAL A 16 17.069 84.282 42.802 1.00 0.00 H new ATOM 0 HA VAL A 16 18.175 81.728 41.812 1.00 0.00 H new ATOM 0 HB VAL A 16 17.297 83.842 40.484 1.00 0.00 H new ATOM 0 HG11 VAL A 16 19.181 85.048 39.402 1.00 0.00 H new ATOM 0 HG12 VAL A 16 18.984 85.441 41.127 1.00 0.00 H new ATOM 0 HG13 VAL A 16 20.284 84.343 40.608 1.00 0.00 H new ATOM 0 HG21 VAL A 16 18.671 82.944 38.518 1.00 0.00 H new ATOM 0 HG22 VAL A 16 19.663 82.038 39.684 1.00 0.00 H new ATOM 0 HG23 VAL A 16 17.939 81.643 39.487 1.00 0.00 H new ATOM 190 N CYS A 17 19.810 83.915 43.596 1.00 0.00 N ATOM 191 CA CYS A 17 20.997 84.110 44.440 1.00 0.00 C ATOM 192 C CYS A 17 20.699 85.173 45.511 1.00 0.00 C ATOM 193 O CYS A 17 20.527 86.348 45.161 1.00 0.00 O ATOM 194 CB CYS A 17 22.162 84.567 43.540 1.00 0.00 C ATOM 195 SG CYS A 17 23.724 84.458 44.467 1.00 0.00 S ATOM 0 H CYS A 17 19.100 84.634 43.738 1.00 0.00 H new ATOM 0 HA CYS A 17 21.264 83.180 44.942 1.00 0.00 H new ATOM 0 HB2 CYS A 17 22.212 83.943 42.647 1.00 0.00 H new ATOM 0 HB3 CYS A 17 21.996 85.591 43.205 1.00 0.00 H new ATOM 0 HG CYS A 17 24.707 84.841 43.707 1.00 0.00 H new ATOM 201 N ARG A 18 20.613 84.815 46.801 1.00 0.00 N ATOM 202 CA ARG A 18 20.412 85.821 47.871 1.00 0.00 C ATOM 203 C ARG A 18 21.701 86.526 48.298 1.00 0.00 C ATOM 204 O ARG A 18 22.714 85.893 48.569 1.00 0.00 O ATOM 205 CB ARG A 18 19.506 85.324 49.023 1.00 0.00 C ATOM 206 CG ARG A 18 19.917 84.162 49.932 1.00 0.00 C ATOM 207 CD ARG A 18 21.157 84.441 50.774 1.00 0.00 C ATOM 208 NE ARG A 18 21.285 83.535 51.939 1.00 0.00 N ATOM 209 CZ ARG A 18 22.424 83.245 52.535 1.00 0.00 C ATOM 210 NH1 ARG A 18 23.583 83.611 52.062 1.00 0.00 N ATOM 211 NH2 ARG A 18 22.451 82.581 53.645 1.00 0.00 N ATOM 0 H ARG A 18 20.678 83.852 47.132 1.00 0.00 H new ATOM 0 HA ARG A 18 19.827 86.624 47.422 1.00 0.00 H new ATOM 0 HB2 ARG A 18 19.322 86.181 49.671 1.00 0.00 H new ATOM 0 HB3 ARG A 18 18.550 85.051 48.576 1.00 0.00 H new ATOM 0 HG2 ARG A 18 19.086 83.922 50.596 1.00 0.00 H new ATOM 0 HG3 ARG A 18 20.099 83.280 49.317 1.00 0.00 H new ATOM 0 HD2 ARG A 18 22.044 84.344 50.147 1.00 0.00 H new ATOM 0 HD3 ARG A 18 21.126 85.472 51.125 1.00 0.00 H new ATOM 0 HE ARG A 18 20.434 83.107 52.304 1.00 0.00 H new ATOM 0 HH11 ARG A 18 23.634 84.146 51.195 1.00 0.00 H new ATOM 0 HH12 ARG A 18 24.438 83.363 52.559 1.00 0.00 H new ATOM 0 HH21 ARG A 18 21.580 82.271 54.075 1.00 0.00 H new ATOM 0 HH22 ARG A 18 23.344 82.367 54.090 1.00 0.00 H new ATOM 225 N ARG A 19 21.622 87.855 48.397 1.00 0.00 N ATOM 226 CA ARG A 19 22.621 88.785 48.950 1.00 0.00 C ATOM 227 C ARG A 19 21.870 89.979 49.538 1.00 0.00 C ATOM 228 O ARG A 19 20.644 89.886 49.706 1.00 0.00 O ATOM 229 CB ARG A 19 23.601 89.199 47.820 1.00 0.00 C ATOM 230 CG ARG A 19 25.049 89.388 48.345 1.00 0.00 C ATOM 231 CD ARG A 19 25.967 89.977 47.267 1.00 0.00 C ATOM 232 NE ARG A 19 27.395 89.897 47.666 1.00 0.00 N ATOM 233 CZ ARG A 19 28.147 90.805 48.255 1.00 0.00 C ATOM 234 NH1 ARG A 19 27.703 91.970 48.632 1.00 0.00 N ATOM 235 NH2 ARG A 19 29.390 90.543 48.488 1.00 0.00 N ATOM 0 H ARG A 19 20.794 88.352 48.068 1.00 0.00 H new ATOM 0 HA ARG A 19 23.214 88.326 49.741 1.00 0.00 H new ATOM 0 HB2 ARG A 19 23.595 88.439 47.039 1.00 0.00 H new ATOM 0 HB3 ARG A 19 23.257 90.127 47.364 1.00 0.00 H new ATOM 0 HG2 ARG A 19 25.039 90.046 49.214 1.00 0.00 H new ATOM 0 HG3 ARG A 19 25.445 88.428 48.676 1.00 0.00 H new ATOM 0 HD2 ARG A 19 25.819 89.441 46.329 1.00 0.00 H new ATOM 0 HD3 ARG A 19 25.696 91.017 47.086 1.00 0.00 H new ATOM 0 HE ARG A 19 27.860 89.014 47.454 1.00 0.00 H new ATOM 0 HH11 ARG A 19 26.726 92.219 48.475 1.00 0.00 H new ATOM 0 HH12 ARG A 19 28.332 92.634 49.084 1.00 0.00 H new ATOM 0 HH21 ARG A 19 29.781 89.641 48.217 1.00 0.00 H new ATOM 0 HH22 ARG A 19 29.981 91.238 48.943 1.00 0.00 H new ATOM 249 N GLU A 20 22.536 91.115 49.767 1.00 0.00 N ATOM 250 CA GLU A 20 21.909 92.412 50.082 1.00 0.00 C ATOM 251 C GLU A 20 21.180 92.486 51.440 1.00 0.00 C ATOM 252 O GLU A 20 20.729 91.472 52.001 1.00 0.00 O ATOM 253 CB GLU A 20 21.000 92.826 48.901 1.00 0.00 C ATOM 254 CG GLU A 20 21.007 94.317 48.549 1.00 0.00 C ATOM 255 CD GLU A 20 22.319 94.758 47.896 1.00 0.00 C ATOM 256 OE1 GLU A 20 22.627 94.318 46.762 1.00 0.00 O ATOM 257 OE2 GLU A 20 23.027 95.626 48.457 1.00 0.00 O ATOM 0 H GLU A 20 23.554 91.164 49.739 1.00 0.00 H new ATOM 0 HA GLU A 20 22.719 93.131 50.206 1.00 0.00 H new ATOM 0 HB2 GLU A 20 21.302 92.262 48.019 1.00 0.00 H new ATOM 0 HB3 GLU A 20 19.977 92.531 49.133 1.00 0.00 H new ATOM 0 HG2 GLU A 20 20.179 94.532 47.874 1.00 0.00 H new ATOM 0 HG3 GLU A 20 20.841 94.902 49.454 1.00 0.00 H new ATOM 264 N PHE A 21 21.024 93.702 51.969 1.00 0.00 N ATOM 265 CA PHE A 21 20.651 93.956 53.366 1.00 0.00 C ATOM 266 C PHE A 21 21.715 93.374 54.342 1.00 0.00 C ATOM 267 O PHE A 21 22.879 93.255 53.953 1.00 0.00 O ATOM 268 CB PHE A 21 19.190 93.499 53.601 1.00 0.00 C ATOM 269 CG PHE A 21 18.317 94.533 54.269 1.00 0.00 C ATOM 270 CD1 PHE A 21 17.884 95.653 53.533 1.00 0.00 C ATOM 271 CD2 PHE A 21 17.932 94.392 55.612 1.00 0.00 C ATOM 272 CE1 PHE A 21 17.074 96.633 54.142 1.00 0.00 C ATOM 273 CE2 PHE A 21 17.123 95.363 56.223 1.00 0.00 C ATOM 274 CZ PHE A 21 16.700 96.484 55.488 1.00 0.00 C ATOM 0 H PHE A 21 21.156 94.557 51.428 1.00 0.00 H new ATOM 0 HA PHE A 21 20.658 95.024 53.585 1.00 0.00 H new ATOM 0 HB2 PHE A 21 18.747 93.231 52.642 1.00 0.00 H new ATOM 0 HB3 PHE A 21 19.198 92.597 54.212 1.00 0.00 H new ATOM 0 HD1 PHE A 21 18.174 95.761 52.498 1.00 0.00 H new ATOM 0 HD2 PHE A 21 18.260 93.532 56.178 1.00 0.00 H new ATOM 0 HE1 PHE A 21 16.743 97.492 53.578 1.00 0.00 H new ATOM 0 HE2 PHE A 21 16.826 95.249 57.255 1.00 0.00 H new ATOM 0 HZ PHE A 21 16.084 97.235 55.961 1.00 0.00 H new ATOM 284 N GLY A 22 21.382 93.104 55.610 1.00 0.00 N ATOM 285 CA GLY A 22 22.297 92.425 56.552 1.00 0.00 C ATOM 286 C GLY A 22 23.602 93.182 56.855 1.00 0.00 C ATOM 287 O GLY A 22 24.591 92.582 57.260 1.00 0.00 O ATOM 0 H GLY A 22 20.478 93.346 56.016 1.00 0.00 H new ATOM 0 HA2 GLY A 22 21.768 92.255 57.490 1.00 0.00 H new ATOM 0 HA3 GLY A 22 22.549 91.445 56.146 1.00 0.00 H new ATOM 291 N HIS A 23 23.617 94.500 56.596 1.00 0.00 N ATOM 292 CA HIS A 23 24.765 95.443 56.630 1.00 0.00 C ATOM 293 C HIS A 23 25.914 95.125 55.641 1.00 0.00 C ATOM 294 O HIS A 23 26.434 96.054 55.009 1.00 0.00 O ATOM 295 CB HIS A 23 25.261 95.652 58.072 1.00 0.00 C ATOM 296 CG HIS A 23 24.238 96.060 59.114 1.00 0.00 C ATOM 297 ND1 HIS A 23 24.458 96.026 60.493 1.00 0.00 N ATOM 298 CD2 HIS A 23 22.962 96.477 58.891 1.00 0.00 C ATOM 299 CE1 HIS A 23 23.306 96.417 61.068 1.00 0.00 C ATOM 300 NE2 HIS A 23 22.391 96.684 60.130 1.00 0.00 N ATOM 0 H HIS A 23 22.757 94.982 56.334 1.00 0.00 H new ATOM 0 HA HIS A 23 24.373 96.390 56.259 1.00 0.00 H new ATOM 0 HB2 HIS A 23 25.728 94.725 58.404 1.00 0.00 H new ATOM 0 HB3 HIS A 23 26.042 96.412 58.052 1.00 0.00 H new ATOM 0 HD2 HIS A 23 22.488 96.618 57.931 1.00 0.00 H new ATOM 0 HE1 HIS A 23 23.144 96.503 62.132 1.00 0.00 H new ATOM 0 HE2 HIS A 23 21.433 96.989 60.301 1.00 0.00 H new ATOM 308 N LYS A 24 26.340 93.854 55.505 1.00 0.00 N ATOM 309 CA LYS A 24 27.425 93.392 54.612 1.00 0.00 C ATOM 310 C LYS A 24 26.989 92.265 53.660 1.00 0.00 C ATOM 311 O LYS A 24 26.951 92.493 52.453 1.00 0.00 O ATOM 312 CB LYS A 24 28.677 92.951 55.420 1.00 0.00 C ATOM 313 CG LYS A 24 29.601 94.043 55.975 1.00 0.00 C ATOM 314 CD LYS A 24 29.056 94.907 57.114 1.00 0.00 C ATOM 315 CE LYS A 24 28.414 94.133 58.272 1.00 0.00 C ATOM 316 NZ LYS A 24 29.385 93.333 59.044 1.00 0.00 N ATOM 0 H LYS A 24 25.922 93.089 56.035 1.00 0.00 H new ATOM 0 HA LYS A 24 27.683 94.253 53.995 1.00 0.00 H new ATOM 0 HB2 LYS A 24 28.336 92.345 56.259 1.00 0.00 H new ATOM 0 HB3 LYS A 24 29.275 92.302 54.780 1.00 0.00 H new ATOM 0 HG2 LYS A 24 30.518 93.566 56.322 1.00 0.00 H new ATOM 0 HG3 LYS A 24 29.876 94.703 55.152 1.00 0.00 H new ATOM 0 HD2 LYS A 24 29.871 95.513 57.511 1.00 0.00 H new ATOM 0 HD3 LYS A 24 28.317 95.596 56.705 1.00 0.00 H new ATOM 0 HE2 LYS A 24 27.919 94.837 58.941 1.00 0.00 H new ATOM 0 HE3 LYS A 24 27.642 93.473 57.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 28.891 92.834 59.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 29.840 92.640 58.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 30.108 93.961 59.449 1.00 0.00 H new ATOM 330 N GLU A 25 26.691 91.069 54.174 1.00 0.00 N ATOM 331 CA GLU A 25 26.348 89.881 53.377 1.00 0.00 C ATOM 332 C GLU A 25 25.204 89.047 53.995 1.00 0.00 C ATOM 333 O GLU A 25 24.042 89.305 53.694 1.00 0.00 O ATOM 334 CB GLU A 25 27.605 89.010 53.100 1.00 0.00 C ATOM 335 CG GLU A 25 28.585 89.665 52.112 1.00 0.00 C ATOM 336 CD GLU A 25 29.787 88.759 51.824 1.00 0.00 C ATOM 337 OE1 GLU A 25 29.583 87.592 51.430 1.00 0.00 O ATOM 338 OE2 GLU A 25 30.939 89.247 51.935 1.00 0.00 O ATOM 0 H GLU A 25 26.680 90.892 55.179 1.00 0.00 H new ATOM 0 HA GLU A 25 25.971 90.247 52.422 1.00 0.00 H new ATOM 0 HB2 GLU A 25 28.121 88.817 54.041 1.00 0.00 H new ATOM 0 HB3 GLU A 25 27.291 88.044 52.705 1.00 0.00 H new ATOM 0 HG2 GLU A 25 28.067 89.890 51.180 1.00 0.00 H new ATOM 0 HG3 GLU A 25 28.934 90.614 52.520 1.00 0.00 H new ATOM 345 N GLU A 26 25.499 88.051 54.845 1.00 0.00 N ATOM 346 CA GLU A 26 24.494 87.167 55.446 1.00 0.00 C ATOM 347 C GLU A 26 23.943 87.782 56.748 1.00 0.00 C ATOM 348 O GLU A 26 22.733 88.004 56.854 1.00 0.00 O ATOM 349 CB GLU A 26 25.021 85.736 55.657 1.00 0.00 C ATOM 350 CG GLU A 26 25.770 85.169 54.429 1.00 0.00 C ATOM 351 CD GLU A 26 26.044 83.662 54.542 1.00 0.00 C ATOM 352 OE1 GLU A 26 25.175 82.857 54.138 1.00 0.00 O ATOM 353 OE2 GLU A 26 27.147 83.257 54.973 1.00 0.00 O ATOM 0 H GLU A 26 26.453 87.836 55.136 1.00 0.00 H new ATOM 0 HA GLU A 26 23.668 87.078 54.741 1.00 0.00 H new ATOM 0 HB2 GLU A 26 25.690 85.727 56.517 1.00 0.00 H new ATOM 0 HB3 GLU A 26 24.184 85.080 55.897 1.00 0.00 H new ATOM 0 HG2 GLU A 26 25.183 85.360 53.531 1.00 0.00 H new ATOM 0 HG3 GLU A 26 26.716 85.698 54.310 1.00 0.00 H new ATOM 360 N GLU A 27 24.831 88.074 57.705 1.00 0.00 N ATOM 361 CA GLU A 27 24.674 88.988 58.857 1.00 0.00 C ATOM 362 C GLU A 27 26.067 89.114 59.513 1.00 0.00 C ATOM 363 O GLU A 27 26.748 90.130 59.377 1.00 0.00 O ATOM 364 CB GLU A 27 23.645 88.468 59.899 1.00 0.00 C ATOM 365 CG GLU A 27 22.248 89.109 59.811 1.00 0.00 C ATOM 366 CD GLU A 27 22.007 90.258 60.800 1.00 0.00 C ATOM 367 OE1 GLU A 27 22.905 91.116 60.989 1.00 0.00 O ATOM 368 OE2 GLU A 27 20.881 90.328 61.362 1.00 0.00 O ATOM 0 H GLU A 27 25.756 87.645 57.699 1.00 0.00 H new ATOM 0 HA GLU A 27 24.293 89.948 58.509 1.00 0.00 H new ATOM 0 HB2 GLU A 27 23.542 87.390 59.778 1.00 0.00 H new ATOM 0 HB3 GLU A 27 24.045 88.640 60.899 1.00 0.00 H new ATOM 0 HG2 GLU A 27 22.097 89.482 58.798 1.00 0.00 H new ATOM 0 HG3 GLU A 27 21.497 88.337 59.982 1.00 0.00 H new ATOM 375 N ASP A 28 26.543 88.010 60.096 1.00 0.00 N ATOM 376 CA ASP A 28 27.796 87.888 60.859 1.00 0.00 C ATOM 377 C ASP A 28 28.890 87.140 60.056 1.00 0.00 C ATOM 378 O ASP A 28 28.607 86.481 59.050 1.00 0.00 O ATOM 379 CB ASP A 28 27.420 87.184 62.171 1.00 0.00 C ATOM 380 CG ASP A 28 28.603 86.862 63.095 1.00 0.00 C ATOM 381 OD1 ASP A 28 29.536 87.690 63.203 1.00 0.00 O ATOM 382 OD2 ASP A 28 28.597 85.766 63.709 1.00 0.00 O ATOM 0 H ASP A 28 26.038 87.125 60.047 1.00 0.00 H new ATOM 0 HA ASP A 28 28.239 88.862 61.066 1.00 0.00 H new ATOM 0 HB2 ASP A 28 26.714 87.813 62.714 1.00 0.00 H new ATOM 0 HB3 ASP A 28 26.901 86.256 61.932 1.00 0.00 H new ATOM 387 N ALA A 29 30.145 87.210 60.504 1.00 0.00 N ATOM 388 CA ALA A 29 31.296 86.387 60.104 1.00 0.00 C ATOM 389 C ALA A 29 31.823 86.495 58.647 1.00 0.00 C ATOM 390 O ALA A 29 32.729 85.744 58.281 1.00 0.00 O ATOM 391 CB ALA A 29 31.065 84.938 60.575 1.00 0.00 C ATOM 0 H ALA A 29 30.407 87.896 61.212 1.00 0.00 H new ATOM 0 HA ALA A 29 32.146 86.833 60.620 1.00 0.00 H new ATOM 0 HB1 ALA A 29 31.914 84.321 60.282 1.00 0.00 H new ATOM 0 HB2 ALA A 29 30.960 84.920 61.660 1.00 0.00 H new ATOM 0 HB3 ALA A 29 30.157 84.547 60.116 1.00 0.00 H new ATOM 397 N SER A 30 31.352 87.453 57.839 1.00 0.00 N ATOM 398 CA SER A 30 31.854 87.715 56.465 1.00 0.00 C ATOM 399 C SER A 30 32.600 89.053 56.327 1.00 0.00 C ATOM 400 O SER A 30 32.338 89.812 55.393 1.00 0.00 O ATOM 401 CB SER A 30 30.745 87.605 55.407 1.00 0.00 C ATOM 402 OG SER A 30 30.144 86.327 55.421 1.00 0.00 O ATOM 0 H SER A 30 30.600 88.083 58.117 1.00 0.00 H new ATOM 0 HA SER A 30 32.583 86.926 56.279 1.00 0.00 H new ATOM 0 HB2 SER A 30 29.988 88.367 55.591 1.00 0.00 H new ATOM 0 HB3 SER A 30 31.162 87.802 54.419 1.00 0.00 H new ATOM 0 HG SER A 30 29.442 86.288 54.739 1.00 0.00 H new ATOM 408 N GLU A 31 33.497 89.401 57.262 1.00 0.00 N ATOM 409 CA GLU A 31 34.392 90.565 57.107 1.00 0.00 C ATOM 410 C GLU A 31 35.639 90.518 58.007 1.00 0.00 C ATOM 411 O GLU A 31 35.687 89.788 59.012 1.00 0.00 O ATOM 412 CB GLU A 31 33.618 91.890 57.306 1.00 0.00 C ATOM 413 CG GLU A 31 33.599 92.764 56.043 1.00 0.00 C ATOM 414 CD GLU A 31 34.980 93.352 55.721 1.00 0.00 C ATOM 415 OE1 GLU A 31 35.886 92.605 55.292 1.00 0.00 O ATOM 416 OE2 GLU A 31 35.152 94.572 55.961 1.00 0.00 O ATOM 0 H GLU A 31 33.624 88.893 58.137 1.00 0.00 H new ATOM 0 HA GLU A 31 34.762 90.518 56.083 1.00 0.00 H new ATOM 0 HB2 GLU A 31 32.593 91.666 57.603 1.00 0.00 H new ATOM 0 HB3 GLU A 31 34.071 92.451 58.124 1.00 0.00 H new ATOM 0 HG2 GLU A 31 33.254 92.169 55.197 1.00 0.00 H new ATOM 0 HG3 GLU A 31 32.883 93.575 56.176 1.00 0.00 H new ATOM 423 N GLY A 32 36.651 91.324 57.675 1.00 0.00 N ATOM 424 CA GLY A 32 37.953 91.399 58.348 1.00 0.00 C ATOM 425 C GLY A 32 39.004 90.426 57.810 1.00 0.00 C ATOM 426 O GLY A 32 40.072 90.286 58.401 1.00 0.00 O ATOM 0 H GLY A 32 36.583 91.974 56.892 1.00 0.00 H new ATOM 0 HA2 GLY A 32 38.337 92.415 58.256 1.00 0.00 H new ATOM 0 HA3 GLY A 32 37.809 91.207 59.411 1.00 0.00 H new ATOM 430 N VAL A 33 38.710 89.748 56.692 1.00 0.00 N ATOM 431 CA VAL A 33 39.590 88.810 55.991 1.00 0.00 C ATOM 432 C VAL A 33 39.183 88.708 54.509 1.00 0.00 C ATOM 433 O VAL A 33 38.022 88.916 54.168 1.00 0.00 O ATOM 434 CB VAL A 33 39.564 87.422 56.681 1.00 0.00 C ATOM 435 CG1 VAL A 33 38.173 86.794 56.750 1.00 0.00 C ATOM 436 CG2 VAL A 33 40.532 86.421 56.043 1.00 0.00 C ATOM 0 H VAL A 33 37.805 89.846 56.231 1.00 0.00 H new ATOM 0 HA VAL A 33 40.613 89.183 56.036 1.00 0.00 H new ATOM 0 HB VAL A 33 39.890 87.633 57.699 1.00 0.00 H new ATOM 0 HG11 VAL A 33 38.235 85.825 57.246 1.00 0.00 H new ATOM 0 HG12 VAL A 33 37.506 87.447 57.313 1.00 0.00 H new ATOM 0 HG13 VAL A 33 37.784 86.661 55.741 1.00 0.00 H new ATOM 0 HG21 VAL A 33 40.469 85.468 56.569 1.00 0.00 H new ATOM 0 HG22 VAL A 33 40.267 86.276 54.996 1.00 0.00 H new ATOM 0 HG23 VAL A 33 41.550 86.806 56.110 1.00 0.00 H new ATOM 446 N THR A 34 40.160 88.377 53.661 1.00 0.00 N ATOM 447 CA THR A 34 40.022 87.926 52.264 1.00 0.00 C ATOM 448 C THR A 34 41.252 87.090 51.880 1.00 0.00 C ATOM 449 O THR A 34 42.352 87.325 52.398 1.00 0.00 O ATOM 450 CB THR A 34 39.890 89.086 51.258 1.00 0.00 C ATOM 451 OG1 THR A 34 40.542 90.261 51.694 1.00 0.00 O ATOM 452 CG2 THR A 34 38.444 89.468 50.962 1.00 0.00 C ATOM 0 H THR A 34 41.138 88.418 53.947 1.00 0.00 H new ATOM 0 HA THR A 34 39.103 87.342 52.213 1.00 0.00 H new ATOM 0 HB THR A 34 40.362 88.698 50.355 1.00 0.00 H new ATOM 0 HG1 THR A 34 40.431 90.965 51.022 1.00 0.00 H new ATOM 0 HG21 THR A 34 38.424 90.290 50.247 1.00 0.00 H new ATOM 0 HG22 THR A 34 37.919 88.610 50.542 1.00 0.00 H new ATOM 0 HG23 THR A 34 37.953 89.778 51.885 1.00 0.00 H new ATOM 460 N THR A 35 41.092 86.155 50.950 1.00 0.00 N ATOM 461 CA THR A 35 42.207 85.535 50.205 1.00 0.00 C ATOM 462 C THR A 35 42.059 85.800 48.700 1.00 0.00 C ATOM 463 O THR A 35 41.016 86.272 48.242 1.00 0.00 O ATOM 464 CB THR A 35 42.367 84.036 50.536 1.00 0.00 C ATOM 465 OG1 THR A 35 43.733 83.715 50.459 1.00 0.00 O ATOM 466 CG2 THR A 35 41.617 83.071 49.626 1.00 0.00 C ATOM 0 H THR A 35 40.177 85.794 50.681 1.00 0.00 H new ATOM 0 HA THR A 35 43.135 86.006 50.530 1.00 0.00 H new ATOM 0 HB THR A 35 41.936 83.910 51.529 1.00 0.00 H new ATOM 0 HG1 THR A 35 43.858 82.766 50.668 1.00 0.00 H new ATOM 0 HG21 THR A 35 41.801 82.047 49.951 1.00 0.00 H new ATOM 0 HG22 THR A 35 40.548 83.281 49.675 1.00 0.00 H new ATOM 0 HG23 THR A 35 41.964 83.194 48.600 1.00 0.00 H new ATOM 474 N GLY A 36 43.119 85.552 47.928 1.00 0.00 N ATOM 475 CA GLY A 36 43.114 85.702 46.475 1.00 0.00 C ATOM 476 C GLY A 36 44.520 85.985 45.959 1.00 0.00 C ATOM 477 O GLY A 36 45.012 87.101 46.143 1.00 0.00 O ATOM 0 H GLY A 36 44.015 85.238 48.301 1.00 0.00 H new ATOM 0 HA2 GLY A 36 42.727 84.794 46.012 1.00 0.00 H new ATOM 0 HA3 GLY A 36 42.446 86.515 46.190 1.00 0.00 H new ATOM 564 N THR A 43 53.203 78.575 43.875 1.00 0.00 N ATOM 565 CA THR A 43 54.661 78.574 43.624 1.00 0.00 C ATOM 566 C THR A 43 55.517 78.530 44.895 1.00 0.00 C ATOM 567 O THR A 43 55.033 78.829 45.991 1.00 0.00 O ATOM 568 CB THR A 43 55.118 79.715 42.691 1.00 0.00 C ATOM 569 OG1 THR A 43 55.159 80.980 43.303 1.00 0.00 O ATOM 570 CG2 THR A 43 54.216 79.863 41.470 1.00 0.00 C ATOM 0 HA THR A 43 54.834 77.633 43.102 1.00 0.00 H new ATOM 0 HB THR A 43 56.127 79.412 42.410 1.00 0.00 H new ATOM 0 HG1 THR A 43 55.458 81.649 42.652 1.00 0.00 H new ATOM 0 HG21 THR A 43 54.580 80.679 40.846 1.00 0.00 H new ATOM 0 HG22 THR A 43 54.224 78.936 40.897 1.00 0.00 H new ATOM 0 HG23 THR A 43 53.198 80.080 41.794 1.00 0.00 H new ATOM 578 N LYS A 44 56.778 78.107 44.762 1.00 0.00 N ATOM 579 CA LYS A 44 57.774 78.046 45.853 1.00 0.00 C ATOM 580 C LYS A 44 58.848 79.126 45.706 1.00 0.00 C ATOM 581 O LYS A 44 58.978 79.740 44.655 1.00 0.00 O ATOM 582 CB LYS A 44 58.387 76.634 45.959 1.00 0.00 C ATOM 583 CG LYS A 44 57.382 75.497 46.287 1.00 0.00 C ATOM 584 CD LYS A 44 56.640 74.855 45.095 1.00 0.00 C ATOM 585 CE LYS A 44 57.569 74.316 43.995 1.00 0.00 C ATOM 586 NZ LYS A 44 58.410 73.197 44.457 1.00 0.00 N ATOM 0 H LYS A 44 57.152 77.787 43.869 1.00 0.00 H new ATOM 0 HA LYS A 44 57.254 78.251 46.789 1.00 0.00 H new ATOM 0 HB2 LYS A 44 58.881 76.399 45.016 1.00 0.00 H new ATOM 0 HB3 LYS A 44 59.159 76.648 46.729 1.00 0.00 H new ATOM 0 HG2 LYS A 44 57.921 74.710 46.815 1.00 0.00 H new ATOM 0 HG3 LYS A 44 56.637 75.892 46.978 1.00 0.00 H new ATOM 0 HD2 LYS A 44 56.020 74.038 45.464 1.00 0.00 H new ATOM 0 HD3 LYS A 44 55.968 75.594 44.658 1.00 0.00 H new ATOM 0 HE2 LYS A 44 56.968 73.987 43.147 1.00 0.00 H new ATOM 0 HE3 LYS A 44 58.209 75.123 43.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 59.016 72.873 43.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 59.005 73.514 45.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 57.803 72.414 44.772 1.00 0.00 H new ATOM 600 N ALA A 45 59.644 79.325 46.763 1.00 0.00 N ATOM 601 CA ALA A 45 60.690 80.335 46.837 1.00 0.00 C ATOM 602 C ALA A 45 61.771 80.176 45.746 1.00 0.00 C ATOM 603 O ALA A 45 61.899 79.139 45.108 1.00 0.00 O ATOM 604 CB ALA A 45 61.325 80.280 48.230 1.00 0.00 C ATOM 0 H ALA A 45 59.570 78.767 47.614 1.00 0.00 H new ATOM 0 HA ALA A 45 60.228 81.306 46.660 1.00 0.00 H new ATOM 0 HB1 ALA A 45 62.111 81.031 48.301 1.00 0.00 H new ATOM 0 HB2 ALA A 45 60.564 80.478 48.985 1.00 0.00 H new ATOM 0 HB3 ALA A 45 61.752 79.291 48.396 1.00 0.00 H new ATOM 610 N ILE A 46 62.597 81.220 45.577 1.00 0.00 N ATOM 611 CA ILE A 46 63.686 81.270 44.584 1.00 0.00 C ATOM 612 C ILE A 46 65.053 81.224 45.296 1.00 0.00 C ATOM 613 O ILE A 46 65.680 82.277 45.496 1.00 0.00 O ATOM 614 CB ILE A 46 63.500 82.483 43.639 1.00 0.00 C ATOM 615 CG1 ILE A 46 62.074 82.547 43.047 1.00 0.00 C ATOM 616 CG2 ILE A 46 64.548 82.435 42.505 1.00 0.00 C ATOM 617 CD1 ILE A 46 61.798 83.761 42.159 1.00 0.00 C ATOM 0 H ILE A 46 62.527 82.070 46.136 1.00 0.00 H new ATOM 0 HA ILE A 46 63.652 80.390 43.942 1.00 0.00 H new ATOM 0 HB ILE A 46 63.645 83.386 44.232 1.00 0.00 H new ATOM 0 HG12 ILE A 46 61.897 81.642 42.465 1.00 0.00 H new ATOM 0 HG13 ILE A 46 61.356 82.544 43.867 1.00 0.00 H new ATOM 0 HG21 ILE A 46 64.410 83.292 41.845 1.00 0.00 H new ATOM 0 HG22 ILE A 46 65.550 82.465 42.934 1.00 0.00 H new ATOM 0 HG23 ILE A 46 64.425 81.514 41.935 1.00 0.00 H new ATOM 0 HD11 ILE A 46 60.773 83.717 41.791 1.00 0.00 H new ATOM 0 HD12 ILE A 46 61.937 84.674 42.738 1.00 0.00 H new ATOM 0 HD13 ILE A 46 62.487 83.758 41.314 1.00 0.00 H new ATOM 629 N PRO A 47 65.539 80.040 45.722 1.00 0.00 N ATOM 630 CA PRO A 47 66.938 79.841 46.102 1.00 0.00 C ATOM 631 C PRO A 47 67.833 79.779 44.852 1.00 0.00 C ATOM 632 O PRO A 47 67.347 79.606 43.727 1.00 0.00 O ATOM 633 CB PRO A 47 66.957 78.515 46.868 1.00 0.00 C ATOM 634 CG PRO A 47 65.884 77.704 46.139 1.00 0.00 C ATOM 635 CD PRO A 47 64.841 78.756 45.774 1.00 0.00 C ATOM 0 HA PRO A 47 67.323 80.660 46.710 1.00 0.00 H new ATOM 0 HB2 PRO A 47 67.933 78.032 46.822 1.00 0.00 H new ATOM 0 HB3 PRO A 47 66.718 78.651 47.923 1.00 0.00 H new ATOM 0 HG2 PRO A 47 66.285 77.210 45.254 1.00 0.00 H new ATOM 0 HG3 PRO A 47 65.465 76.925 46.777 1.00 0.00 H new ATOM 0 HD2 PRO A 47 64.380 78.527 44.813 1.00 0.00 H new ATOM 0 HD3 PRO A 47 64.041 78.780 46.514 1.00 0.00 H new ATOM 718 N ALA A 52 75.749 80.296 44.765 1.00 0.00 N ATOM 719 CA ALA A 52 75.615 80.196 46.235 1.00 0.00 C ATOM 720 C ALA A 52 75.859 81.511 47.016 1.00 0.00 C ATOM 721 O ALA A 52 76.458 81.501 48.090 1.00 0.00 O ATOM 722 CB ALA A 52 76.514 79.055 46.722 1.00 0.00 C ATOM 0 HA ALA A 52 74.568 79.980 46.450 1.00 0.00 H new ATOM 0 HB1 ALA A 52 76.431 78.963 47.805 1.00 0.00 H new ATOM 0 HB2 ALA A 52 76.203 78.121 46.254 1.00 0.00 H new ATOM 0 HB3 ALA A 52 77.549 79.268 46.454 1.00 0.00 H new ATOM 728 N ASN A 53 75.370 82.644 46.508 1.00 0.00 N ATOM 729 CA ASN A 53 75.741 83.998 46.968 1.00 0.00 C ATOM 730 C ASN A 53 75.142 84.434 48.346 1.00 0.00 C ATOM 731 O ASN A 53 74.825 85.605 48.556 1.00 0.00 O ATOM 732 CB ASN A 53 75.447 84.997 45.837 1.00 0.00 C ATOM 733 CG ASN A 53 76.475 86.125 45.765 1.00 0.00 C ATOM 734 OD1 ASN A 53 77.258 86.219 44.834 1.00 0.00 O ATOM 735 ND2 ASN A 53 76.503 86.991 46.731 1.00 0.00 N ATOM 0 H ASN A 53 74.689 82.654 45.748 1.00 0.00 H new ATOM 0 HA ASN A 53 76.809 83.983 47.183 1.00 0.00 H new ATOM 0 HB2 ASN A 53 75.428 84.467 44.885 1.00 0.00 H new ATOM 0 HB3 ASN A 53 74.455 85.424 45.984 1.00 0.00 H new ATOM 0 HD21 ASN A 53 77.181 87.753 46.713 1.00 0.00 H new ATOM 0 HD22 ASN A 53 75.847 86.910 47.508 1.00 0.00 H new ATOM 742 N LYS A 54 74.965 83.488 49.270 1.00 0.00 N ATOM 743 CA LYS A 54 74.603 83.705 50.678 1.00 0.00 C ATOM 744 C LYS A 54 75.024 82.475 51.480 1.00 0.00 C ATOM 745 O LYS A 54 74.788 81.354 51.018 1.00 0.00 O ATOM 746 CB LYS A 54 73.074 83.948 50.797 1.00 0.00 C ATOM 747 CG LYS A 54 72.620 84.546 52.140 1.00 0.00 C ATOM 748 CD LYS A 54 73.048 86.015 52.302 1.00 0.00 C ATOM 749 CE LYS A 54 72.634 86.597 53.656 1.00 0.00 C ATOM 750 NZ LYS A 54 71.188 86.879 53.749 1.00 0.00 N ATOM 0 H LYS A 54 75.075 82.498 49.049 1.00 0.00 H new ATOM 0 HA LYS A 54 75.114 84.584 51.071 1.00 0.00 H new ATOM 0 HB2 LYS A 54 72.763 84.616 49.994 1.00 0.00 H new ATOM 0 HB3 LYS A 54 72.556 83.001 50.643 1.00 0.00 H new ATOM 0 HG2 LYS A 54 71.535 84.476 52.218 1.00 0.00 H new ATOM 0 HG3 LYS A 54 73.037 83.957 52.957 1.00 0.00 H new ATOM 0 HD2 LYS A 54 74.130 86.090 52.193 1.00 0.00 H new ATOM 0 HD3 LYS A 54 72.605 86.610 51.503 1.00 0.00 H new ATOM 0 HE2 LYS A 54 72.913 85.899 54.445 1.00 0.00 H new ATOM 0 HE3 LYS A 54 73.190 87.518 53.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 70.970 87.271 54.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 70.921 87.567 53.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 70.653 85.998 53.609 1.00 0.00 H new ATOM 764 N TYR A 55 75.580 82.648 52.680 1.00 0.00 N ATOM 765 CA TYR A 55 76.043 81.583 53.594 1.00 0.00 C ATOM 766 C TYR A 55 77.254 80.758 53.132 1.00 0.00 C ATOM 767 O TYR A 55 78.087 80.402 53.974 1.00 0.00 O ATOM 768 CB TYR A 55 74.853 80.688 54.011 1.00 0.00 C ATOM 769 CG TYR A 55 74.705 80.470 55.506 1.00 0.00 C ATOM 770 CD1 TYR A 55 75.618 79.658 56.199 1.00 0.00 C ATOM 771 CD2 TYR A 55 73.629 81.069 56.202 1.00 0.00 C ATOM 772 CE1 TYR A 55 75.457 79.433 57.579 1.00 0.00 C ATOM 773 CE2 TYR A 55 73.468 80.854 57.580 1.00 0.00 C ATOM 774 CZ TYR A 55 74.381 80.032 58.275 1.00 0.00 C ATOM 775 OH TYR A 55 74.218 79.804 59.603 1.00 0.00 O ATOM 0 H TYR A 55 75.731 83.579 53.068 1.00 0.00 H new ATOM 0 HA TYR A 55 76.437 82.111 54.462 1.00 0.00 H new ATOM 0 HB2 TYR A 55 73.933 81.133 53.631 1.00 0.00 H new ATOM 0 HB3 TYR A 55 74.961 79.717 53.527 1.00 0.00 H new ATOM 0 HD1 TYR A 55 76.445 79.206 55.672 1.00 0.00 H new ATOM 0 HD2 TYR A 55 72.928 81.695 55.671 1.00 0.00 H new ATOM 0 HE1 TYR A 55 76.156 78.802 58.107 1.00 0.00 H new ATOM 0 HE2 TYR A 55 72.647 81.317 58.107 1.00 0.00 H new ATOM 0 HH TYR A 55 73.431 80.292 59.925 1.00 0.00 H new ATOM 785 N GLY A 56 77.412 80.460 51.844 1.00 0.00 N ATOM 786 CA GLY A 56 78.593 79.797 51.286 1.00 0.00 C ATOM 787 C GLY A 56 79.757 80.770 51.066 1.00 0.00 C ATOM 788 O GLY A 56 79.574 81.752 50.353 1.00 0.00 O ATOM 0 H GLY A 56 76.706 80.677 51.141 1.00 0.00 H new ATOM 0 HA2 GLY A 56 78.911 79.000 51.958 1.00 0.00 H new ATOM 0 HA3 GLY A 56 78.330 79.328 50.338 1.00 0.00 H new ATOM 792 N PRO A 57 80.967 80.529 51.642 1.00 0.00 N ATOM 793 CA PRO A 57 82.130 81.389 51.417 1.00 0.00 C ATOM 794 C PRO A 57 82.836 81.061 50.083 1.00 0.00 C ATOM 795 O PRO A 57 83.241 81.969 49.343 1.00 0.00 O ATOM 796 CB PRO A 57 83.057 81.112 52.609 1.00 0.00 C ATOM 797 CG PRO A 57 82.740 79.664 52.983 1.00 0.00 C ATOM 798 CD PRO A 57 81.262 79.509 52.643 1.00 0.00 C ATOM 0 HA PRO A 57 81.845 82.439 51.346 1.00 0.00 H new ATOM 0 HB2 PRO A 57 84.106 81.236 52.338 1.00 0.00 H new ATOM 0 HB3 PRO A 57 82.859 81.792 53.437 1.00 0.00 H new ATOM 0 HG2 PRO A 57 83.355 78.963 52.419 1.00 0.00 H new ATOM 0 HG3 PRO A 57 82.928 79.475 54.040 1.00 0.00 H new ATOM 0 HD2 PRO A 57 81.054 78.512 52.256 1.00 0.00 H new ATOM 0 HD3 PRO A 57 80.642 79.643 53.530 1.00 0.00 H new ATOM 806 N THR A 58 82.965 79.773 49.765 1.00 0.00 N ATOM 807 CA THR A 58 83.357 79.252 48.455 1.00 0.00 C ATOM 808 C THR A 58 82.246 79.490 47.428 1.00 0.00 C ATOM 809 O THR A 58 81.163 79.960 47.768 1.00 0.00 O ATOM 810 CB THR A 58 83.695 77.753 48.546 1.00 0.00 C ATOM 811 OG1 THR A 58 82.757 77.063 49.342 1.00 0.00 O ATOM 812 CG2 THR A 58 85.077 77.543 49.176 1.00 0.00 C ATOM 0 H THR A 58 82.791 79.031 50.443 1.00 0.00 H new ATOM 0 HA THR A 58 84.249 79.785 48.128 1.00 0.00 H new ATOM 0 HB THR A 58 83.676 77.366 47.527 1.00 0.00 H new ATOM 0 HG1 THR A 58 82.996 76.113 49.380 1.00 0.00 H new ATOM 0 HG21 THR A 58 85.294 76.476 49.230 1.00 0.00 H new ATOM 0 HG22 THR A 58 85.834 78.037 48.566 1.00 0.00 H new ATOM 0 HG23 THR A 58 85.087 77.966 50.180 1.00 0.00 H new ATOM 820 N ILE A 59 82.514 79.198 46.147 1.00 0.00 N ATOM 821 CA ILE A 59 81.713 79.630 44.981 1.00 0.00 C ATOM 822 C ILE A 59 81.812 81.147 44.804 1.00 0.00 C ATOM 823 O ILE A 59 82.476 81.597 43.873 1.00 0.00 O ATOM 824 CB ILE A 59 80.261 79.073 45.012 1.00 0.00 C ATOM 825 CG1 ILE A 59 80.278 77.521 45.112 1.00 0.00 C ATOM 826 CG2 ILE A 59 79.443 79.555 43.799 1.00 0.00 C ATOM 827 CD1 ILE A 59 78.919 76.880 45.378 1.00 0.00 C ATOM 0 H ILE A 59 83.322 78.635 45.880 1.00 0.00 H new ATOM 0 HA ILE A 59 82.138 79.187 44.081 1.00 0.00 H new ATOM 0 HB ILE A 59 79.766 79.464 45.901 1.00 0.00 H new ATOM 0 HG12 ILE A 59 80.679 77.116 44.183 1.00 0.00 H new ATOM 0 HG13 ILE A 59 80.963 77.230 45.908 1.00 0.00 H new ATOM 0 HG21 ILE A 59 78.434 79.146 43.855 1.00 0.00 H new ATOM 0 HG22 ILE A 59 79.394 80.644 43.803 1.00 0.00 H new ATOM 0 HG23 ILE A 59 79.921 79.217 42.880 1.00 0.00 H new ATOM 0 HD11 ILE A 59 79.032 75.797 45.431 1.00 0.00 H new ATOM 0 HD12 ILE A 59 78.521 77.250 46.323 1.00 0.00 H new ATOM 0 HD13 ILE A 59 78.233 77.134 44.570 1.00 0.00 H new ATOM 839 N GLY A 60 81.255 81.929 45.732 1.00 0.00 N ATOM 840 CA GLY A 60 81.455 83.375 45.798 1.00 0.00 C ATOM 841 C GLY A 60 80.442 84.105 46.681 1.00 0.00 C ATOM 842 O GLY A 60 79.342 84.400 46.225 1.00 0.00 O ATOM 0 H GLY A 60 80.645 81.569 46.467 1.00 0.00 H new ATOM 0 HA2 GLY A 60 82.459 83.576 46.173 1.00 0.00 H new ATOM 0 HA3 GLY A 60 81.404 83.785 44.789 1.00 0.00 H new ATOM 846 N ASP A 61 80.838 84.442 47.908 1.00 0.00 N ATOM 847 CA ASP A 61 80.015 85.270 48.821 1.00 0.00 C ATOM 848 C ASP A 61 80.005 86.750 48.384 1.00 0.00 C ATOM 849 O ASP A 61 78.930 87.341 48.207 1.00 0.00 O ATOM 850 CB ASP A 61 80.564 85.086 50.251 1.00 0.00 C ATOM 851 CG ASP A 61 79.746 85.744 51.352 1.00 0.00 C ATOM 852 OD1 ASP A 61 78.571 86.118 51.145 1.00 0.00 O ATOM 853 OD2 ASP A 61 80.324 85.982 52.435 1.00 0.00 O ATOM 0 H ASP A 61 81.732 84.156 48.306 1.00 0.00 H new ATOM 0 HA ASP A 61 78.975 84.947 48.789 1.00 0.00 H new ATOM 0 HB2 ASP A 61 80.633 84.019 50.461 1.00 0.00 H new ATOM 0 HB3 ASP A 61 81.578 85.484 50.287 1.00 0.00 H new ATOM 858 N LYS A 62 81.175 87.342 48.121 1.00 0.00 N ATOM 859 CA LYS A 62 81.304 88.673 47.514 1.00 0.00 C ATOM 860 C LYS A 62 82.541 88.777 46.595 1.00 0.00 C ATOM 861 O LYS A 62 83.657 89.030 47.058 1.00 0.00 O ATOM 862 CB LYS A 62 81.276 89.753 48.607 1.00 0.00 C ATOM 863 CG LYS A 62 81.033 91.143 48.016 1.00 0.00 C ATOM 864 CD LYS A 62 80.793 92.168 49.128 1.00 0.00 C ATOM 865 CE LYS A 62 80.442 93.531 48.526 1.00 0.00 C ATOM 866 NZ LYS A 62 80.016 94.480 49.571 1.00 0.00 N ATOM 0 H LYS A 62 82.073 86.904 48.327 1.00 0.00 H new ATOM 0 HA LYS A 62 80.447 88.841 46.861 1.00 0.00 H new ATOM 0 HB2 LYS A 62 80.493 89.521 49.329 1.00 0.00 H new ATOM 0 HB3 LYS A 62 82.221 89.747 49.150 1.00 0.00 H new ATOM 0 HG2 LYS A 62 81.892 91.444 47.416 1.00 0.00 H new ATOM 0 HG3 LYS A 62 80.172 91.115 47.348 1.00 0.00 H new ATOM 0 HD2 LYS A 62 79.984 91.830 49.776 1.00 0.00 H new ATOM 0 HD3 LYS A 62 81.684 92.256 49.750 1.00 0.00 H new ATOM 0 HE2 LYS A 62 81.307 93.932 47.997 1.00 0.00 H new ATOM 0 HE3 LYS A 62 79.646 93.413 47.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 79.784 95.395 49.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 79.177 94.106 50.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 80.786 94.609 50.258 1.00 0.00 H new ATOM 880 N ILE A 63 82.318 88.564 45.295 1.00 0.00 N ATOM 881 CA ILE A 63 83.331 88.590 44.222 1.00 0.00 C ATOM 882 C ILE A 63 82.789 89.348 42.990 1.00 0.00 C ATOM 883 O ILE A 63 82.393 90.506 43.117 1.00 0.00 O ATOM 884 CB ILE A 63 83.911 87.177 43.947 1.00 0.00 C ATOM 885 CG1 ILE A 63 82.910 85.988 43.935 1.00 0.00 C ATOM 886 CG2 ILE A 63 84.951 86.844 45.017 1.00 0.00 C ATOM 887 CD1 ILE A 63 81.912 85.970 42.769 1.00 0.00 C ATOM 0 H ILE A 63 81.384 88.359 44.940 1.00 0.00 H new ATOM 0 HA ILE A 63 84.200 89.163 44.546 1.00 0.00 H new ATOM 0 HB ILE A 63 84.304 87.261 42.934 1.00 0.00 H new ATOM 0 HG12 ILE A 63 83.479 85.058 43.917 1.00 0.00 H new ATOM 0 HG13 ILE A 63 82.349 86.000 44.869 1.00 0.00 H new ATOM 0 HG21 ILE A 63 85.362 85.852 44.829 1.00 0.00 H new ATOM 0 HG22 ILE A 63 85.753 87.581 44.986 1.00 0.00 H new ATOM 0 HG23 ILE A 63 84.480 86.861 46.000 1.00 0.00 H new ATOM 0 HD11 ILE A 63 81.263 85.099 42.859 1.00 0.00 H new ATOM 0 HD12 ILE A 63 81.308 86.877 42.793 1.00 0.00 H new ATOM 0 HD13 ILE A 63 82.456 85.921 41.826 1.00 0.00 H new ATOM 987 N LEU A 70 86.720 93.180 45.303 1.00 0.00 N ATOM 988 CA LEU A 70 87.984 92.881 44.620 1.00 0.00 C ATOM 989 C LEU A 70 87.883 91.854 43.472 1.00 0.00 C ATOM 990 O LEU A 70 88.862 91.181 43.122 1.00 0.00 O ATOM 991 CB LEU A 70 89.063 92.580 45.688 1.00 0.00 C ATOM 992 CG LEU A 70 90.333 93.413 45.509 1.00 0.00 C ATOM 993 CD1 LEU A 70 91.299 93.126 46.648 1.00 0.00 C ATOM 994 CD2 LEU A 70 91.035 93.101 44.191 1.00 0.00 C ATOM 0 HA LEU A 70 88.294 93.766 44.064 1.00 0.00 H new ATOM 0 HB2 LEU A 70 88.648 92.769 46.678 1.00 0.00 H new ATOM 0 HB3 LEU A 70 89.321 91.522 45.647 1.00 0.00 H new ATOM 0 HG LEU A 70 90.037 94.462 45.507 1.00 0.00 H new ATOM 0 HD11 LEU A 70 92.203 93.721 46.517 1.00 0.00 H new ATOM 0 HD12 LEU A 70 90.829 93.383 47.597 1.00 0.00 H new ATOM 0 HD13 LEU A 70 91.558 92.067 46.647 1.00 0.00 H new ATOM 0 HD21 LEU A 70 91.932 93.714 44.103 1.00 0.00 H new ATOM 0 HD22 LEU A 70 91.312 92.047 44.167 1.00 0.00 H new ATOM 0 HD23 LEU A 70 90.364 93.319 43.361 1.00 0.00 H new ATOM 1006 N ILE A 71 86.706 91.767 42.854 1.00 0.00 N ATOM 1007 CA ILE A 71 86.362 90.930 41.682 1.00 0.00 C ATOM 1008 C ILE A 71 86.809 89.451 41.839 1.00 0.00 C ATOM 1009 O ILE A 71 86.840 88.957 42.971 1.00 0.00 O ATOM 1010 CB ILE A 71 86.733 91.687 40.377 1.00 0.00 C ATOM 1011 CG1 ILE A 71 85.831 91.256 39.190 1.00 0.00 C ATOM 1012 CG2 ILE A 71 88.224 91.665 39.991 1.00 0.00 C ATOM 1013 CD1 ILE A 71 85.754 92.309 38.073 1.00 0.00 C ATOM 0 H ILE A 71 85.906 92.313 43.173 1.00 0.00 H new ATOM 0 HA ILE A 71 85.284 90.788 41.607 1.00 0.00 H new ATOM 0 HB ILE A 71 86.534 92.733 40.612 1.00 0.00 H new ATOM 0 HG12 ILE A 71 86.210 90.322 38.775 1.00 0.00 H new ATOM 0 HG13 ILE A 71 84.826 91.055 39.561 1.00 0.00 H new ATOM 0 HG21 ILE A 71 88.369 92.223 39.066 1.00 0.00 H new ATOM 0 HG22 ILE A 71 88.813 92.123 40.786 1.00 0.00 H new ATOM 0 HG23 ILE A 71 88.548 90.634 39.847 1.00 0.00 H new ATOM 0 HD11 ILE A 71 85.108 91.945 37.274 1.00 0.00 H new ATOM 0 HD12 ILE A 71 85.347 93.237 38.475 1.00 0.00 H new ATOM 0 HD13 ILE A 71 86.753 92.493 37.677 1.00 0.00 H new ATOM 1025 N ALA A 72 87.054 88.729 40.739 1.00 0.00 N ATOM 1026 CA ALA A 72 87.615 87.365 40.628 1.00 0.00 C ATOM 1027 C ALA A 72 87.116 86.309 41.658 1.00 0.00 C ATOM 1028 O ALA A 72 87.578 86.235 42.796 1.00 0.00 O ATOM 1029 CB ALA A 72 89.140 87.486 40.608 1.00 0.00 C ATOM 0 H ALA A 72 86.848 89.114 39.817 1.00 0.00 H new ATOM 0 HA ALA A 72 87.232 86.949 39.696 1.00 0.00 H new ATOM 0 HB1 ALA A 72 89.583 86.493 40.527 1.00 0.00 H new ATOM 0 HB2 ALA A 72 89.446 88.091 39.754 1.00 0.00 H new ATOM 0 HB3 ALA A 72 89.479 87.960 41.529 1.00 0.00 H new ATOM 1035 N GLU A 73 86.229 85.402 41.222 1.00 0.00 N ATOM 1036 CA GLU A 73 85.852 84.205 41.995 1.00 0.00 C ATOM 1037 C GLU A 73 86.991 83.179 42.109 1.00 0.00 C ATOM 1038 O GLU A 73 88.062 83.354 41.511 1.00 0.00 O ATOM 1039 CB GLU A 73 84.567 83.561 41.439 1.00 0.00 C ATOM 1040 CG GLU A 73 84.715 82.683 40.183 1.00 0.00 C ATOM 1041 CD GLU A 73 84.791 83.527 38.901 1.00 0.00 C ATOM 1042 OE1 GLU A 73 85.774 84.287 38.722 1.00 0.00 O ATOM 1043 OE2 GLU A 73 83.827 83.491 38.120 1.00 0.00 O ATOM 0 H GLU A 73 85.752 85.476 40.324 1.00 0.00 H new ATOM 0 HA GLU A 73 85.648 84.547 43.010 1.00 0.00 H new ATOM 0 HB2 GLU A 73 84.124 82.953 42.228 1.00 0.00 H new ATOM 0 HB3 GLU A 73 83.858 84.358 41.214 1.00 0.00 H new ATOM 0 HG2 GLU A 73 85.614 82.073 40.270 1.00 0.00 H new ATOM 0 HG3 GLU A 73 83.870 81.998 40.117 1.00 0.00 H new ATOM 1050 N ILE A 74 86.756 82.109 42.876 1.00 0.00 N ATOM 1051 CA ILE A 74 87.764 81.108 43.243 1.00 0.00 C ATOM 1052 C ILE A 74 88.538 80.576 42.032 1.00 0.00 C ATOM 1053 O ILE A 74 89.762 80.645 42.017 1.00 0.00 O ATOM 1054 CB ILE A 74 87.128 79.937 44.038 1.00 0.00 C ATOM 1055 CG1 ILE A 74 86.073 80.327 45.100 1.00 0.00 C ATOM 1056 CG2 ILE A 74 88.242 79.101 44.687 1.00 0.00 C ATOM 1057 CD1 ILE A 74 86.590 81.190 46.264 1.00 0.00 C ATOM 0 H ILE A 74 85.836 81.910 43.269 1.00 0.00 H new ATOM 0 HA ILE A 74 88.483 81.618 43.884 1.00 0.00 H new ATOM 0 HB ILE A 74 86.567 79.364 43.299 1.00 0.00 H new ATOM 0 HG12 ILE A 74 85.265 80.865 44.603 1.00 0.00 H new ATOM 0 HG13 ILE A 74 85.643 79.414 45.511 1.00 0.00 H new ATOM 0 HG21 ILE A 74 87.799 78.277 45.247 1.00 0.00 H new ATOM 0 HG22 ILE A 74 88.897 78.703 43.912 1.00 0.00 H new ATOM 0 HG23 ILE A 74 88.821 79.729 45.364 1.00 0.00 H new ATOM 0 HD11 ILE A 74 85.770 81.405 46.949 1.00 0.00 H new ATOM 0 HD12 ILE A 74 87.375 80.652 46.795 1.00 0.00 H new ATOM 0 HD13 ILE A 74 86.992 82.125 45.873 1.00 0.00 H new ATOM 1069 N GLU A 75 87.829 80.090 41.007 1.00 0.00 N ATOM 1070 CA GLU A 75 88.378 79.564 39.735 1.00 0.00 C ATOM 1071 C GLU A 75 87.401 79.774 38.571 1.00 0.00 C ATOM 1072 O GLU A 75 87.722 80.422 37.585 1.00 0.00 O ATOM 1073 CB GLU A 75 88.660 78.044 39.874 1.00 0.00 C ATOM 1074 CG GLU A 75 89.923 77.646 40.641 1.00 0.00 C ATOM 1075 CD GLU A 75 91.189 77.683 39.775 1.00 0.00 C ATOM 1076 OE1 GLU A 75 91.462 76.655 39.107 1.00 0.00 O ATOM 1077 OE2 GLU A 75 91.948 78.670 39.805 1.00 0.00 O ATOM 0 H GLU A 75 86.810 80.047 41.035 1.00 0.00 H new ATOM 0 HA GLU A 75 89.299 80.108 39.524 1.00 0.00 H new ATOM 0 HB2 GLU A 75 87.804 77.583 40.366 1.00 0.00 H new ATOM 0 HB3 GLU A 75 88.721 77.616 38.873 1.00 0.00 H new ATOM 0 HG2 GLU A 75 90.051 78.316 41.491 1.00 0.00 H new ATOM 0 HG3 GLU A 75 89.795 76.641 41.044 1.00 0.00 H new ATOM 1084 N LYS A 76 86.195 79.182 38.673 1.00 0.00 N ATOM 1085 CA LYS A 76 85.149 79.157 37.615 1.00 0.00 C ATOM 1086 C LYS A 76 83.763 78.821 38.167 1.00 0.00 C ATOM 1087 O LYS A 76 83.087 77.913 37.684 1.00 0.00 O ATOM 1088 CB LYS A 76 85.581 78.223 36.462 1.00 0.00 C ATOM 1089 CG LYS A 76 85.949 76.780 36.858 1.00 0.00 C ATOM 1090 CD LYS A 76 86.611 75.993 35.719 1.00 0.00 C ATOM 1091 CE LYS A 76 87.933 76.644 35.290 1.00 0.00 C ATOM 1092 NZ LYS A 76 88.784 75.725 34.507 1.00 0.00 N ATOM 0 H LYS A 76 85.906 78.690 39.519 1.00 0.00 H new ATOM 0 HA LYS A 76 85.054 80.164 37.208 1.00 0.00 H new ATOM 0 HB2 LYS A 76 84.772 78.183 35.732 1.00 0.00 H new ATOM 0 HB3 LYS A 76 86.440 78.671 35.962 1.00 0.00 H new ATOM 0 HG2 LYS A 76 86.623 76.805 37.714 1.00 0.00 H new ATOM 0 HG3 LYS A 76 85.048 76.256 37.178 1.00 0.00 H new ATOM 0 HD2 LYS A 76 86.795 74.968 36.041 1.00 0.00 H new ATOM 0 HD3 LYS A 76 85.934 75.943 34.866 1.00 0.00 H new ATOM 0 HE2 LYS A 76 87.721 77.533 34.697 1.00 0.00 H new ATOM 0 HE3 LYS A 76 88.477 76.973 36.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 89.634 76.230 34.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 89.065 74.920 35.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 88.253 75.377 33.683 1.00 0.00 H new ATOM 1106 N ASP A 77 83.365 79.500 39.240 1.00 0.00 N ATOM 1107 CA ASP A 77 82.137 79.289 40.018 1.00 0.00 C ATOM 1108 C ASP A 77 82.014 77.925 40.738 1.00 0.00 C ATOM 1109 O ASP A 77 81.713 77.915 41.930 1.00 0.00 O ATOM 1110 CB ASP A 77 80.902 79.772 39.215 1.00 0.00 C ATOM 1111 CG ASP A 77 79.712 78.811 39.198 1.00 0.00 C ATOM 1112 OD1 ASP A 77 79.030 78.665 40.231 1.00 0.00 O ATOM 1113 OD2 ASP A 77 79.434 78.218 38.126 1.00 0.00 O ATOM 0 H ASP A 77 83.926 80.264 39.618 1.00 0.00 H new ATOM 0 HA ASP A 77 82.198 79.932 40.896 1.00 0.00 H new ATOM 0 HB2 ASP A 77 80.572 80.725 39.628 1.00 0.00 H new ATOM 0 HB3 ASP A 77 81.210 79.960 38.186 1.00 0.00 H new ATOM 1118 N PHE A 78 82.369 76.782 40.133 1.00 0.00 N ATOM 1119 CA PHE A 78 82.335 75.423 40.731 1.00 0.00 C ATOM 1120 C PHE A 78 83.336 75.161 41.892 1.00 0.00 C ATOM 1121 O PHE A 78 83.772 74.023 42.091 1.00 0.00 O ATOM 1122 CB PHE A 78 82.507 74.381 39.602 1.00 0.00 C ATOM 1123 CG PHE A 78 81.343 74.235 38.657 1.00 0.00 C ATOM 1124 CD1 PHE A 78 80.141 73.678 39.115 1.00 0.00 C ATOM 1125 CD2 PHE A 78 81.482 74.577 37.296 1.00 0.00 C ATOM 1126 CE1 PHE A 78 79.066 73.465 38.222 1.00 0.00 C ATOM 1127 CE2 PHE A 78 80.406 74.375 36.402 1.00 0.00 C ATOM 1128 CZ PHE A 78 79.202 73.820 36.869 1.00 0.00 C ATOM 0 H PHE A 78 82.704 76.770 39.170 1.00 0.00 H new ATOM 0 HA PHE A 78 81.362 75.332 41.214 1.00 0.00 H new ATOM 0 HB2 PHE A 78 83.390 74.646 39.021 1.00 0.00 H new ATOM 0 HB3 PHE A 78 82.704 73.410 40.057 1.00 0.00 H new ATOM 0 HD1 PHE A 78 80.036 73.410 40.156 1.00 0.00 H new ATOM 0 HD2 PHE A 78 82.411 74.994 36.936 1.00 0.00 H new ATOM 0 HE1 PHE A 78 78.143 73.031 38.578 1.00 0.00 H new ATOM 0 HE2 PHE A 78 80.509 74.647 35.362 1.00 0.00 H new ATOM 0 HZ PHE A 78 78.379 73.666 36.186 1.00 0.00 H new ATOM 1138 N ALA A 79 83.718 76.187 42.650 1.00 0.00 N ATOM 1139 CA ALA A 79 84.590 76.237 43.840 1.00 0.00 C ATOM 1140 C ALA A 79 86.019 75.664 43.740 1.00 0.00 C ATOM 1141 O ALA A 79 86.886 76.109 44.480 1.00 0.00 O ATOM 1142 CB ALA A 79 83.837 75.632 45.032 1.00 0.00 C ATOM 0 H ALA A 79 83.386 77.124 42.422 1.00 0.00 H new ATOM 0 HA ALA A 79 84.796 77.300 43.965 1.00 0.00 H new ATOM 0 HB1 ALA A 79 84.472 75.664 45.917 1.00 0.00 H new ATOM 0 HB2 ALA A 79 82.928 76.205 45.217 1.00 0.00 H new ATOM 0 HB3 ALA A 79 83.575 74.597 44.810 1.00 0.00 H new ATOM 1148 N LEU A 80 86.291 74.715 42.844 1.00 0.00 N ATOM 1149 CA LEU A 80 87.565 74.004 42.709 1.00 0.00 C ATOM 1150 C LEU A 80 87.901 73.739 41.236 1.00 0.00 C ATOM 1151 O LEU A 80 88.973 74.138 40.782 1.00 0.00 O ATOM 1152 CB LEU A 80 87.490 72.711 43.546 1.00 0.00 C ATOM 1153 CG LEU A 80 88.812 72.248 44.162 1.00 0.00 C ATOM 1154 CD1 LEU A 80 88.583 70.924 44.896 1.00 0.00 C ATOM 1155 CD2 LEU A 80 89.929 72.032 43.133 1.00 0.00 C ATOM 0 H LEU A 80 85.599 74.406 42.161 1.00 0.00 H new ATOM 0 HA LEU A 80 88.381 74.618 43.089 1.00 0.00 H new ATOM 0 HB2 LEU A 80 86.768 72.860 44.349 1.00 0.00 H new ATOM 0 HB3 LEU A 80 87.104 71.911 42.914 1.00 0.00 H new ATOM 0 HG LEU A 80 89.135 73.043 44.834 1.00 0.00 H new ATOM 0 HD11 LEU A 80 89.520 70.586 45.338 1.00 0.00 H new ATOM 0 HD12 LEU A 80 87.842 71.067 45.682 1.00 0.00 H new ATOM 0 HD13 LEU A 80 88.224 70.174 44.191 1.00 0.00 H new ATOM 0 HD21 LEU A 80 90.835 71.705 43.643 1.00 0.00 H new ATOM 0 HD22 LEU A 80 89.621 71.271 42.416 1.00 0.00 H new ATOM 0 HD23 LEU A 80 90.126 72.967 42.608 1.00 0.00 H new ATOM 1167 N TYR A 81 86.978 73.125 40.485 1.00 0.00 N ATOM 1168 CA TYR A 81 87.054 73.038 39.018 1.00 0.00 C ATOM 1169 C TYR A 81 85.724 72.663 38.349 1.00 0.00 C ATOM 1170 O TYR A 81 85.389 73.240 37.312 1.00 0.00 O ATOM 1171 CB TYR A 81 88.132 72.012 38.601 1.00 0.00 C ATOM 1172 CG TYR A 81 89.025 72.505 37.470 1.00 0.00 C ATOM 1173 CD1 TYR A 81 90.179 73.245 37.772 1.00 0.00 C ATOM 1174 CD2 TYR A 81 88.714 72.215 36.132 1.00 0.00 C ATOM 1175 CE1 TYR A 81 91.039 73.690 36.750 1.00 0.00 C ATOM 1176 CE2 TYR A 81 89.565 72.658 35.098 1.00 0.00 C ATOM 1177 CZ TYR A 81 90.740 73.380 35.408 1.00 0.00 C ATOM 1178 OH TYR A 81 91.523 73.859 34.407 1.00 0.00 O ATOM 0 H TYR A 81 86.153 72.672 40.878 1.00 0.00 H new ATOM 0 HA TYR A 81 87.314 74.039 38.674 1.00 0.00 H new ATOM 0 HB2 TYR A 81 88.751 71.773 39.466 1.00 0.00 H new ATOM 0 HB3 TYR A 81 87.644 71.087 38.293 1.00 0.00 H new ATOM 0 HD1 TYR A 81 90.410 73.476 38.801 1.00 0.00 H new ATOM 0 HD2 TYR A 81 87.823 71.653 35.894 1.00 0.00 H new ATOM 0 HE1 TYR A 81 91.921 74.264 36.992 1.00 0.00 H new ATOM 0 HE2 TYR A 81 89.319 72.445 34.068 1.00 0.00 H new ATOM 0 HH TYR A 81 91.177 73.549 33.544 1.00 0.00 H new ATOM 1188 N GLY A 82 84.949 71.732 38.928 1.00 0.00 N ATOM 1189 CA GLY A 82 83.670 71.264 38.374 1.00 0.00 C ATOM 1190 C GLY A 82 82.851 70.406 39.344 1.00 0.00 C ATOM 1191 O GLY A 82 81.642 70.590 39.460 1.00 0.00 O ATOM 0 H GLY A 82 85.198 71.277 39.807 1.00 0.00 H new ATOM 0 HA2 GLY A 82 83.075 72.128 38.078 1.00 0.00 H new ATOM 0 HA3 GLY A 82 83.866 70.687 37.470 1.00 0.00 H new ATOM 1195 N ASP A 83 83.519 69.513 40.087 1.00 0.00 N ATOM 1196 CA ASP A 83 83.000 68.710 41.190 1.00 0.00 C ATOM 1197 C ASP A 83 84.135 68.441 42.207 1.00 0.00 C ATOM 1198 O ASP A 83 85.305 68.637 41.881 1.00 0.00 O ATOM 1199 CB ASP A 83 82.444 67.373 40.663 1.00 0.00 C ATOM 1200 CG ASP A 83 80.993 67.420 40.175 1.00 0.00 C ATOM 1201 OD1 ASP A 83 80.147 68.144 40.755 1.00 0.00 O ATOM 1202 OD2 ASP A 83 80.657 66.643 39.250 1.00 0.00 O ATOM 0 H ASP A 83 84.507 69.323 39.916 1.00 0.00 H new ATOM 0 HA ASP A 83 82.192 69.255 41.679 1.00 0.00 H new ATOM 0 HB2 ASP A 83 83.076 67.033 39.843 1.00 0.00 H new ATOM 0 HB3 ASP A 83 82.521 66.628 41.455 1.00 0.00 H new ATOM 1207 N GLU A 84 83.796 67.970 43.418 1.00 0.00 N ATOM 1208 CA GLU A 84 84.756 67.721 44.506 1.00 0.00 C ATOM 1209 C GLU A 84 85.063 66.223 44.736 1.00 0.00 C ATOM 1210 O GLU A 84 86.213 65.889 45.022 1.00 0.00 O ATOM 1211 CB GLU A 84 84.369 68.446 45.809 1.00 0.00 C ATOM 1212 CG GLU A 84 82.925 68.988 45.956 1.00 0.00 C ATOM 1213 CD GLU A 84 81.869 67.899 46.190 1.00 0.00 C ATOM 1214 OE1 GLU A 84 81.842 66.896 45.424 1.00 0.00 O ATOM 1215 OE2 GLU A 84 81.054 68.083 47.122 1.00 0.00 O ATOM 0 H GLU A 84 82.833 67.748 43.673 1.00 0.00 H new ATOM 0 HA GLU A 84 85.694 68.159 44.166 1.00 0.00 H new ATOM 0 HB2 GLU A 84 84.551 67.760 46.636 1.00 0.00 H new ATOM 0 HB3 GLU A 84 85.052 69.286 45.936 1.00 0.00 H new ATOM 0 HG2 GLU A 84 82.895 69.693 46.787 1.00 0.00 H new ATOM 0 HG3 GLU A 84 82.664 69.545 45.056 1.00 0.00 H new ATOM 1222 N SER A 85 84.085 65.327 44.564 1.00 0.00 N ATOM 1223 CA SER A 85 84.313 63.871 44.553 1.00 0.00 C ATOM 1224 C SER A 85 83.369 63.107 43.616 1.00 0.00 C ATOM 1225 O SER A 85 83.788 62.731 42.515 1.00 0.00 O ATOM 1226 CB SER A 85 84.274 63.310 45.972 1.00 0.00 C ATOM 1227 OG SER A 85 84.683 61.950 45.989 1.00 0.00 O ATOM 0 H SER A 85 83.109 65.588 44.428 1.00 0.00 H new ATOM 0 HA SER A 85 85.311 63.718 44.144 1.00 0.00 H new ATOM 0 HB2 SER A 85 84.925 63.898 46.618 1.00 0.00 H new ATOM 0 HB3 SER A 85 83.264 63.396 46.374 1.00 0.00 H new ATOM 0 HG SER A 85 84.652 61.611 46.908 1.00 0.00 H new ATOM 1233 N VAL A 86 82.086 62.960 43.994 1.00 0.00 N ATOM 1234 CA VAL A 86 81.024 62.215 43.282 1.00 0.00 C ATOM 1235 C VAL A 86 81.254 60.690 43.236 1.00 0.00 C ATOM 1236 O VAL A 86 82.388 60.203 43.242 1.00 0.00 O ATOM 1237 CB VAL A 86 80.731 62.821 41.890 1.00 0.00 C ATOM 1238 CG1 VAL A 86 79.454 62.276 41.229 1.00 0.00 C ATOM 1239 CG2 VAL A 86 80.557 64.340 41.978 1.00 0.00 C ATOM 0 H VAL A 86 81.739 63.382 44.855 1.00 0.00 H new ATOM 0 HA VAL A 86 80.121 62.339 43.880 1.00 0.00 H new ATOM 0 HB VAL A 86 81.594 62.540 41.286 1.00 0.00 H new ATOM 0 HG11 VAL A 86 79.317 62.749 40.257 1.00 0.00 H new ATOM 0 HG12 VAL A 86 79.544 61.198 41.098 1.00 0.00 H new ATOM 0 HG13 VAL A 86 78.595 62.494 41.863 1.00 0.00 H new ATOM 0 HG21 VAL A 86 80.352 64.741 40.985 1.00 0.00 H new ATOM 0 HG22 VAL A 86 79.725 64.573 42.642 1.00 0.00 H new ATOM 0 HG23 VAL A 86 81.470 64.789 42.369 1.00 0.00 H new ATOM 1249 N PHE A 87 80.173 59.910 43.143 1.00 0.00 N ATOM 1250 CA PHE A 87 80.184 58.442 43.035 1.00 0.00 C ATOM 1251 C PHE A 87 80.791 57.750 44.272 1.00 0.00 C ATOM 1252 O PHE A 87 80.527 58.169 45.398 1.00 0.00 O ATOM 1253 CB PHE A 87 80.732 58.031 41.642 1.00 0.00 C ATOM 1254 CG PHE A 87 79.758 57.263 40.773 1.00 0.00 C ATOM 1255 CD1 PHE A 87 78.840 57.974 39.968 1.00 0.00 C ATOM 1256 CD2 PHE A 87 79.760 55.856 40.754 1.00 0.00 C ATOM 1257 CE1 PHE A 87 77.969 57.285 39.109 1.00 0.00 C ATOM 1258 CE2 PHE A 87 78.880 55.165 39.893 1.00 0.00 C ATOM 1259 CZ PHE A 87 78.008 55.871 39.055 1.00 0.00 C ATOM 0 H PHE A 87 79.229 60.295 43.140 1.00 0.00 H new ATOM 0 HA PHE A 87 79.167 58.052 43.065 1.00 0.00 H new ATOM 0 HB2 PHE A 87 81.040 58.931 41.109 1.00 0.00 H new ATOM 0 HB3 PHE A 87 81.626 57.424 41.784 1.00 0.00 H new ATOM 0 HD1 PHE A 87 78.808 59.053 40.014 1.00 0.00 H new ATOM 0 HD2 PHE A 87 80.433 55.306 41.396 1.00 0.00 H new ATOM 0 HE1 PHE A 87 77.272 57.832 38.492 1.00 0.00 H new ATOM 0 HE2 PHE A 87 78.879 54.085 39.881 1.00 0.00 H new ATOM 0 HZ PHE A 87 77.367 55.338 38.369 1.00 0.00 H new ATOM 1269 N GLY A 88 81.551 56.652 44.120 1.00 0.00 N ATOM 1270 CA GLY A 88 82.222 55.939 45.217 1.00 0.00 C ATOM 1271 C GLY A 88 81.497 54.679 45.705 1.00 0.00 C ATOM 1272 O GLY A 88 80.700 54.087 44.981 1.00 0.00 O ATOM 0 H GLY A 88 81.719 56.227 43.208 1.00 0.00 H new ATOM 0 HA2 GLY A 88 83.224 55.661 44.891 1.00 0.00 H new ATOM 0 HA3 GLY A 88 82.338 56.623 46.058 1.00 0.00 H new