USER MOD reduce.3.24.130724 H: found=0, std=0, add=784, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 785 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 85 TYR OH : rot 180:sc= 0.106 USER MOD Set 1.2: A 97 THR OG1 : rot -101:sc= 0.115 USER MOD Set 2.1: A 59 LYS NZ :NH3+ -158:sc= 1.59 (180deg=1.09) USER MOD Set 2.2: A 69 TYR OH : rot -135:sc= 0.424 USER MOD Set 3.1: A 43 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 46 HIS : no HD1:sc= -0.559 K(o=-0.56,f=-1.9) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 MET CE :methyl 140:sc= -0.337 (180deg=-1.48!) USER MOD Single : A 21 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0235) USER MOD Single : A 26 THR OG1 : rot -80:sc= -0.0541 USER MOD Single : A 29 TYR OH : rot 77:sc= -0.013 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 47 HIS : no HD1:sc= -0.356 X(o=-0.36,f=-0.24) USER MOD Single : A 48 GLN : amide:sc= -0.0123 X(o=-0.012,f=-0.012) USER MOD Single : A 56 CYS SG : rot 180:sc=-0.000881 USER MOD Single : A 58 THR OG1 : rot 72:sc= 0.994 USER MOD Single : A 60 SER OG : rot 55:sc= 0.89 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 76 ASN : amide:sc= -0.426 X(o=-0.43,f=-0.18) USER MOD Single : A 79 LYS NZ :NH3+ 137:sc= 0.798 (180deg=-0.392) USER MOD Single : A 82 GLN : amide:sc= -3.23! C(o=-3.2!,f=-1.9!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 101 LYS NZ :NH3+ 178:sc= 0.465 (180deg=0.46) USER MOD Single : A 102 LYS NZ :NH3+ 171:sc= -0.017 (180deg=-0.152) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 217 N ALA A 14 -1.666 18.260 5.135 1.00 44.54 N ATOM 218 CA ALA A 14 -2.062 16.841 5.085 1.00 23.12 C ATOM 219 C ALA A 14 -0.963 15.968 4.460 1.00 74.12 C ATOM 220 O ALA A 14 -0.755 14.847 4.917 1.00 71.13 O ATOM 221 CB ALA A 14 -3.377 16.678 4.297 1.00 60.21 C ATOM 0 HA ALA A 14 -2.214 16.506 6.111 1.00 23.12 H new ATOM 0 HB1 ALA A 14 -3.656 15.625 4.269 1.00 60.21 H new ATOM 0 HB2 ALA A 14 -4.167 17.250 4.785 1.00 60.21 H new ATOM 0 HB3 ALA A 14 -3.239 17.044 3.280 1.00 60.21 H new ATOM 227 N THR A 15 -0.275 16.499 3.414 1.00 1.45 N ATOM 228 CA THR A 15 0.796 15.782 2.683 1.00 52.01 C ATOM 229 C THR A 15 1.946 15.344 3.632 1.00 72.51 C ATOM 230 O THR A 15 2.434 14.214 3.540 1.00 1.42 O ATOM 231 CB THR A 15 1.371 16.659 1.504 1.00 11.52 C ATOM 232 OG1 THR A 15 0.285 17.171 0.707 1.00 61.41 O ATOM 233 CG2 THR A 15 2.333 15.854 0.590 1.00 61.45 C ATOM 0 H THR A 15 -0.450 17.438 3.056 1.00 1.45 H new ATOM 0 HA THR A 15 0.344 14.885 2.260 1.00 52.01 H new ATOM 0 HB THR A 15 1.937 17.476 1.952 1.00 11.52 H new ATOM 0 HG1 THR A 15 0.644 17.717 -0.023 1.00 61.41 H new ATOM 0 HG21 THR A 15 2.703 16.499 -0.207 1.00 61.45 H new ATOM 0 HG22 THR A 15 3.173 15.487 1.180 1.00 61.45 H new ATOM 0 HG23 THR A 15 1.799 15.009 0.154 1.00 61.45 H new ATOM 241 N ALA A 16 2.327 16.251 4.560 1.00 2.35 N ATOM 242 CA ALA A 16 3.417 16.014 5.539 1.00 31.35 C ATOM 243 C ALA A 16 3.050 14.914 6.558 1.00 70.01 C ATOM 244 O ALA A 16 3.859 14.032 6.840 1.00 70.23 O ATOM 245 CB ALA A 16 3.779 17.315 6.278 1.00 61.04 C ATOM 0 H ALA A 16 1.889 17.168 4.653 1.00 2.35 H new ATOM 0 HA ALA A 16 4.284 15.670 4.974 1.00 31.35 H new ATOM 0 HB1 ALA A 16 4.580 17.118 6.991 1.00 61.04 H new ATOM 0 HB2 ALA A 16 4.110 18.063 5.557 1.00 61.04 H new ATOM 0 HB3 ALA A 16 2.903 17.687 6.810 1.00 61.04 H new ATOM 251 N GLN A 17 1.813 14.984 7.082 1.00 51.55 N ATOM 252 CA GLN A 17 1.282 14.024 8.083 1.00 64.23 C ATOM 253 C GLN A 17 1.087 12.621 7.462 1.00 70.23 C ATOM 254 O GLN A 17 1.386 11.585 8.089 1.00 11.34 O ATOM 255 CB GLN A 17 -0.059 14.569 8.636 1.00 32.35 C ATOM 256 CG GLN A 17 -0.790 13.626 9.615 1.00 25.42 C ATOM 257 CD GLN A 17 -2.009 14.271 10.267 1.00 22.15 C ATOM 258 OE1 GLN A 17 -3.127 14.200 9.756 1.00 60.35 O ATOM 259 NE2 GLN A 17 -1.798 14.913 11.399 1.00 42.11 N ATOM 0 H GLN A 17 1.145 15.711 6.825 1.00 51.55 H new ATOM 0 HA GLN A 17 2.000 13.921 8.897 1.00 64.23 H new ATOM 0 HB2 GLN A 17 0.131 15.516 9.141 1.00 32.35 H new ATOM 0 HB3 GLN A 17 -0.721 14.782 7.797 1.00 32.35 H new ATOM 0 HG2 GLN A 17 -1.103 12.729 9.081 1.00 25.42 H new ATOM 0 HG3 GLN A 17 -0.095 13.308 10.392 1.00 25.42 H new ATOM 0 HE21 GLN A 17 -0.859 14.953 11.795 1.00 42.11 H new ATOM 0 HE22 GLN A 17 -2.574 15.370 11.878 1.00 42.11 H new ATOM 268 N MET A 18 0.584 12.621 6.219 1.00 61.21 N ATOM 269 CA MET A 18 0.382 11.405 5.421 1.00 75.43 C ATOM 270 C MET A 18 1.736 10.756 5.092 1.00 60.52 C ATOM 271 O MET A 18 1.837 9.536 5.099 1.00 14.41 O ATOM 272 CB MET A 18 -0.389 11.744 4.121 1.00 2.23 C ATOM 273 CG MET A 18 -0.818 10.526 3.284 1.00 74.41 C ATOM 274 SD MET A 18 -1.439 10.990 1.653 1.00 12.12 S ATOM 275 CE MET A 18 0.002 11.825 0.982 1.00 23.10 C ATOM 0 H MET A 18 0.303 13.474 5.735 1.00 61.21 H new ATOM 0 HA MET A 18 -0.209 10.696 6.000 1.00 75.43 H new ATOM 0 HB2 MET A 18 -1.278 12.318 4.383 1.00 2.23 H new ATOM 0 HB3 MET A 18 0.236 12.389 3.503 1.00 2.23 H new ATOM 0 HG2 MET A 18 0.031 9.852 3.168 1.00 74.41 H new ATOM 0 HG3 MET A 18 -1.591 9.975 3.820 1.00 74.41 H new ATOM 0 HE1 MET A 18 0.120 11.559 -0.069 1.00 23.10 H new ATOM 0 HE2 MET A 18 -0.128 12.904 1.071 1.00 23.10 H new ATOM 0 HE3 MET A 18 0.890 11.520 1.535 1.00 23.10 H new ATOM 285 N GLU A 19 2.769 11.601 4.826 1.00 53.11 N ATOM 286 CA GLU A 19 4.165 11.152 4.629 1.00 32.42 C ATOM 287 C GLU A 19 4.680 10.461 5.898 1.00 50.24 C ATOM 288 O GLU A 19 5.244 9.377 5.810 1.00 21.22 O ATOM 289 CB GLU A 19 5.095 12.348 4.292 1.00 43.41 C ATOM 290 CG GLU A 19 6.558 11.939 3.999 1.00 21.24 C ATOM 291 CD GLU A 19 7.549 13.113 3.944 1.00 64.45 C ATOM 292 OE1 GLU A 19 7.394 13.989 3.069 1.00 71.10 O ATOM 293 OE2 GLU A 19 8.477 13.178 4.798 1.00 34.11 O ATOM 0 H GLU A 19 2.652 12.611 4.743 1.00 53.11 H new ATOM 0 HA GLU A 19 4.175 10.451 3.794 1.00 32.42 H new ATOM 0 HB2 GLU A 19 4.694 12.875 3.426 1.00 43.41 H new ATOM 0 HB3 GLU A 19 5.084 13.051 5.125 1.00 43.41 H new ATOM 0 HG2 GLU A 19 6.887 11.238 4.766 1.00 21.24 H new ATOM 0 HG3 GLU A 19 6.590 11.408 3.048 1.00 21.24 H new ATOM 300 N GLU A 20 4.455 11.112 7.071 1.00 4.34 N ATOM 301 CA GLU A 20 4.838 10.568 8.395 1.00 52.03 C ATOM 302 C GLU A 20 4.288 9.141 8.589 1.00 64.24 C ATOM 303 O GLU A 20 5.050 8.193 8.819 1.00 31.33 O ATOM 304 CB GLU A 20 4.315 11.472 9.545 1.00 34.24 C ATOM 305 CG GLU A 20 4.978 12.850 9.674 1.00 11.55 C ATOM 306 CD GLU A 20 4.381 13.655 10.844 1.00 60.13 C ATOM 307 OE1 GLU A 20 4.609 13.272 12.020 1.00 35.21 O ATOM 308 OE2 GLU A 20 3.657 14.651 10.601 1.00 33.33 O ATOM 0 H GLU A 20 4.004 12.026 7.121 1.00 4.34 H new ATOM 0 HA GLU A 20 5.927 10.541 8.426 1.00 52.03 H new ATOM 0 HB2 GLU A 20 3.244 11.618 9.407 1.00 34.24 H new ATOM 0 HB3 GLU A 20 4.445 10.939 10.487 1.00 34.24 H new ATOM 0 HG2 GLU A 20 6.050 12.727 9.825 1.00 11.55 H new ATOM 0 HG3 GLU A 20 4.849 13.406 8.745 1.00 11.55 H new ATOM 315 N LYS A 21 2.956 9.001 8.454 1.00 25.42 N ATOM 316 CA LYS A 21 2.283 7.703 8.630 1.00 34.13 C ATOM 317 C LYS A 21 2.584 6.731 7.480 1.00 52.44 C ATOM 318 O LYS A 21 2.473 5.522 7.685 1.00 61.33 O ATOM 319 CB LYS A 21 0.752 7.884 8.851 1.00 34.34 C ATOM 320 CG LYS A 21 0.379 8.209 10.316 1.00 30.41 C ATOM 321 CD LYS A 21 0.733 7.039 11.276 1.00 13.22 C ATOM 322 CE LYS A 21 0.384 7.337 12.739 1.00 11.33 C ATOM 323 NZ LYS A 21 1.188 8.451 13.295 1.00 71.02 N ATOM 0 H LYS A 21 2.327 9.770 8.224 1.00 25.42 H new ATOM 0 HA LYS A 21 2.693 7.250 9.533 1.00 34.13 H new ATOM 0 HB2 LYS A 21 0.391 8.685 8.205 1.00 34.34 H new ATOM 0 HB3 LYS A 21 0.238 6.973 8.546 1.00 34.34 H new ATOM 0 HG2 LYS A 21 0.904 9.110 10.633 1.00 30.41 H new ATOM 0 HG3 LYS A 21 -0.688 8.422 10.381 1.00 30.41 H new ATOM 0 HD2 LYS A 21 0.202 6.142 10.957 1.00 13.22 H new ATOM 0 HD3 LYS A 21 1.799 6.823 11.199 1.00 13.22 H new ATOM 0 HE2 LYS A 21 -0.675 7.584 12.814 1.00 11.33 H new ATOM 0 HE3 LYS A 21 0.546 6.441 13.338 1.00 11.33 H new ATOM 0 HZ1 LYS A 21 0.965 8.570 14.304 1.00 71.02 H new ATOM 0 HZ2 LYS A 21 2.200 8.236 13.187 1.00 71.02 H new ATOM 0 HZ3 LYS A 21 0.964 9.329 12.785 1.00 71.02 H new ATOM 337 N LEU A 22 2.981 7.243 6.293 1.00 44.24 N ATOM 338 CA LEU A 22 3.482 6.390 5.201 1.00 54.42 C ATOM 339 C LEU A 22 4.801 5.727 5.649 1.00 22.55 C ATOM 340 O LEU A 22 4.960 4.525 5.485 1.00 44.13 O ATOM 341 CB LEU A 22 3.661 7.215 3.882 1.00 53.43 C ATOM 342 CG LEU A 22 3.679 6.420 2.523 1.00 51.53 C ATOM 343 CD1 LEU A 22 3.597 7.389 1.327 1.00 44.23 C ATOM 344 CD2 LEU A 22 4.909 5.497 2.378 1.00 74.43 C ATOM 0 H LEU A 22 2.963 8.238 6.071 1.00 44.24 H new ATOM 0 HA LEU A 22 2.754 5.608 4.982 1.00 54.42 H new ATOM 0 HB2 LEU A 22 2.856 7.948 3.832 1.00 53.43 H new ATOM 0 HB3 LEU A 22 4.595 7.772 3.958 1.00 53.43 H new ATOM 0 HG LEU A 22 2.800 5.776 2.531 1.00 51.53 H new ATOM 0 HD11 LEU A 22 3.611 6.821 0.397 1.00 44.23 H new ATOM 0 HD12 LEU A 22 2.673 7.964 1.387 1.00 44.23 H new ATOM 0 HD13 LEU A 22 4.449 8.068 1.350 1.00 44.23 H new ATOM 0 HD21 LEU A 22 4.863 4.977 1.421 1.00 74.43 H new ATOM 0 HD22 LEU A 22 5.820 6.094 2.423 1.00 74.43 H new ATOM 0 HD23 LEU A 22 4.914 4.767 3.188 1.00 74.43 H new ATOM 356 N ARG A 23 5.721 6.520 6.243 1.00 72.43 N ATOM 357 CA ARG A 23 7.025 6.004 6.723 1.00 72.11 C ATOM 358 C ARG A 23 6.809 4.962 7.837 1.00 12.43 C ATOM 359 O ARG A 23 7.400 3.883 7.815 1.00 14.20 O ATOM 360 CB ARG A 23 7.939 7.141 7.267 1.00 13.44 C ATOM 361 CG ARG A 23 8.142 8.350 6.323 1.00 73.20 C ATOM 362 CD ARG A 23 9.324 9.253 6.734 1.00 4.24 C ATOM 363 NE ARG A 23 9.313 9.552 8.175 1.00 34.44 N ATOM 364 CZ ARG A 23 10.367 9.954 8.903 1.00 11.53 C ATOM 365 NH1 ARG A 23 11.563 10.154 8.345 1.00 12.31 N ATOM 366 NH2 ARG A 23 10.226 10.102 10.214 1.00 33.41 N ATOM 0 H ARG A 23 5.586 7.518 6.402 1.00 72.43 H new ATOM 0 HA ARG A 23 7.520 5.545 5.867 1.00 72.11 H new ATOM 0 HB2 ARG A 23 7.518 7.503 8.205 1.00 13.44 H new ATOM 0 HB3 ARG A 23 8.916 6.717 7.499 1.00 13.44 H new ATOM 0 HG2 ARG A 23 8.307 7.987 5.309 1.00 73.20 H new ATOM 0 HG3 ARG A 23 7.229 8.945 6.304 1.00 73.20 H new ATOM 0 HD2 ARG A 23 10.262 8.764 6.472 1.00 4.24 H new ATOM 0 HD3 ARG A 23 9.282 10.185 6.170 1.00 4.24 H new ATOM 0 HE ARG A 23 8.425 9.444 8.665 1.00 34.44 H new ATOM 0 HH11 ARG A 23 11.691 10.001 7.345 1.00 12.31 H new ATOM 0 HH12 ARG A 23 12.349 10.460 8.919 1.00 12.31 H new ATOM 0 HH21 ARG A 23 9.326 9.911 10.655 1.00 33.41 H new ATOM 0 HH22 ARG A 23 11.017 10.407 10.781 1.00 33.41 H new ATOM 380 N ASP A 24 5.926 5.316 8.791 1.00 24.14 N ATOM 381 CA ASP A 24 5.609 4.491 9.976 1.00 11.25 C ATOM 382 C ASP A 24 4.967 3.136 9.574 1.00 4.23 C ATOM 383 O ASP A 24 5.276 2.082 10.149 1.00 64.23 O ATOM 384 CB ASP A 24 4.681 5.285 10.934 1.00 24.45 C ATOM 385 CG ASP A 24 4.285 4.506 12.207 1.00 41.54 C ATOM 386 OD1 ASP A 24 5.190 3.966 12.897 1.00 54.40 O ATOM 387 OD2 ASP A 24 3.071 4.419 12.516 1.00 72.32 O ATOM 0 H ASP A 24 5.406 6.193 8.761 1.00 24.14 H new ATOM 0 HA ASP A 24 6.540 4.261 10.494 1.00 11.25 H new ATOM 0 HB2 ASP A 24 5.181 6.209 11.226 1.00 24.45 H new ATOM 0 HB3 ASP A 24 3.776 5.568 10.396 1.00 24.45 H new ATOM 392 N PHE A 25 4.089 3.191 8.569 1.00 63.32 N ATOM 393 CA PHE A 25 3.392 2.013 8.017 1.00 62.34 C ATOM 394 C PHE A 25 4.353 1.122 7.184 1.00 30.21 C ATOM 395 O PHE A 25 4.485 -0.082 7.433 1.00 64.53 O ATOM 396 CB PHE A 25 2.222 2.534 7.140 1.00 35.54 C ATOM 397 CG PHE A 25 1.402 1.488 6.403 1.00 51.40 C ATOM 398 CD1 PHE A 25 0.478 0.702 7.088 1.00 42.03 C ATOM 399 CD2 PHE A 25 1.543 1.299 5.025 1.00 2.10 C ATOM 400 CE1 PHE A 25 -0.290 -0.222 6.418 1.00 75.35 C ATOM 401 CE2 PHE A 25 0.776 0.372 4.361 1.00 45.34 C ATOM 402 CZ PHE A 25 -0.138 -0.391 5.061 1.00 63.12 C ATOM 0 H PHE A 25 3.835 4.064 8.106 1.00 63.32 H new ATOM 0 HA PHE A 25 3.016 1.389 8.828 1.00 62.34 H new ATOM 0 HB2 PHE A 25 1.548 3.107 7.777 1.00 35.54 H new ATOM 0 HB3 PHE A 25 2.631 3.226 6.404 1.00 35.54 H new ATOM 0 HD1 PHE A 25 0.363 0.819 8.155 1.00 42.03 H new ATOM 0 HD2 PHE A 25 2.263 1.888 4.476 1.00 2.10 H new ATOM 0 HE1 PHE A 25 -1.013 -0.815 6.958 1.00 75.35 H new ATOM 0 HE2 PHE A 25 0.888 0.240 3.295 1.00 45.34 H new ATOM 0 HZ PHE A 25 -0.736 -1.124 4.541 1.00 63.12 H new ATOM 412 N THR A 26 5.025 1.755 6.210 1.00 5.55 N ATOM 413 CA THR A 26 5.761 1.072 5.133 1.00 74.41 C ATOM 414 C THR A 26 7.192 0.659 5.554 1.00 61.43 C ATOM 415 O THR A 26 7.548 -0.519 5.417 1.00 40.54 O ATOM 416 CB THR A 26 5.790 1.976 3.849 1.00 24.31 C ATOM 417 OG1 THR A 26 4.445 2.330 3.496 1.00 31.52 O ATOM 418 CG2 THR A 26 6.453 1.297 2.639 1.00 75.43 C ATOM 0 H THR A 26 5.073 2.772 6.147 1.00 5.55 H new ATOM 0 HA THR A 26 5.230 0.146 4.910 1.00 74.41 H new ATOM 0 HB THR A 26 6.388 2.854 4.094 1.00 24.31 H new ATOM 0 HG1 THR A 26 4.026 1.586 3.016 1.00 31.52 H new ATOM 0 HG21 THR A 26 6.439 1.977 1.787 1.00 75.43 H new ATOM 0 HG22 THR A 26 7.484 1.044 2.884 1.00 75.43 H new ATOM 0 HG23 THR A 26 5.906 0.388 2.387 1.00 75.43 H new ATOM 426 N ARG A 27 7.996 1.621 6.091 1.00 42.33 N ATOM 427 CA ARG A 27 9.459 1.420 6.301 1.00 62.42 C ATOM 428 C ARG A 27 9.766 0.324 7.341 1.00 33.32 C ATOM 429 O ARG A 27 10.843 -0.281 7.281 1.00 1.24 O ATOM 430 CB ARG A 27 10.198 2.741 6.697 1.00 23.44 C ATOM 431 CG ARG A 27 11.751 2.615 6.707 1.00 2.23 C ATOM 432 CD ARG A 27 12.471 3.793 7.382 1.00 23.15 C ATOM 433 NE ARG A 27 13.926 3.585 7.409 1.00 24.23 N ATOM 434 CZ ARG A 27 14.802 4.245 8.180 1.00 1.34 C ATOM 435 NH1 ARG A 27 14.399 5.193 9.033 1.00 4.31 N ATOM 436 NH2 ARG A 27 16.092 3.937 8.098 1.00 51.44 N ATOM 0 H ARG A 27 7.658 2.537 6.384 1.00 42.33 H new ATOM 0 HA ARG A 27 9.839 1.090 5.334 1.00 62.42 H new ATOM 0 HB2 ARG A 27 9.911 3.529 6.001 1.00 23.44 H new ATOM 0 HB3 ARG A 27 9.862 3.052 7.686 1.00 23.44 H new ATOM 0 HG2 ARG A 27 12.027 1.693 7.219 1.00 2.23 H new ATOM 0 HG3 ARG A 27 12.104 2.527 5.680 1.00 2.23 H new ATOM 0 HD2 ARG A 27 12.243 4.715 6.848 1.00 23.15 H new ATOM 0 HD3 ARG A 27 12.100 3.914 8.400 1.00 23.15 H new ATOM 0 HE ARG A 27 14.304 2.873 6.784 1.00 24.23 H new ATOM 0 HH11 ARG A 27 13.409 5.426 9.106 1.00 4.31 H new ATOM 0 HH12 ARG A 27 15.082 5.683 9.611 1.00 4.31 H new ATOM 0 HH21 ARG A 27 16.402 3.208 7.456 1.00 51.44 H new ATOM 0 HH22 ARG A 27 16.772 4.429 8.678 1.00 51.44 H new ATOM 450 N ALA A 28 8.803 0.052 8.252 1.00 50.05 N ATOM 451 CA ALA A 28 8.942 -0.976 9.318 1.00 53.43 C ATOM 452 C ALA A 28 9.406 -2.341 8.753 1.00 75.41 C ATOM 453 O ALA A 28 10.145 -3.092 9.402 1.00 35.11 O ATOM 454 CB ALA A 28 7.607 -1.125 10.064 1.00 23.14 C ATOM 0 H ALA A 28 7.906 0.538 8.271 1.00 50.05 H new ATOM 0 HA ALA A 28 9.713 -0.642 10.012 1.00 53.43 H new ATOM 0 HB1 ALA A 28 7.709 -1.878 10.845 1.00 23.14 H new ATOM 0 HB2 ALA A 28 7.333 -0.171 10.514 1.00 23.14 H new ATOM 0 HB3 ALA A 28 6.831 -1.432 9.363 1.00 23.14 H new ATOM 460 N TYR A 29 8.955 -2.628 7.524 1.00 20.24 N ATOM 461 CA TYR A 29 9.369 -3.805 6.738 1.00 5.22 C ATOM 462 C TYR A 29 9.736 -3.390 5.305 1.00 52.12 C ATOM 463 O TYR A 29 9.691 -2.206 4.953 1.00 0.21 O ATOM 464 CB TYR A 29 8.265 -4.902 6.778 1.00 73.13 C ATOM 465 CG TYR A 29 6.820 -4.358 6.761 1.00 14.20 C ATOM 466 CD1 TYR A 29 6.163 -4.033 7.955 1.00 43.33 C ATOM 467 CD2 TYR A 29 6.123 -4.160 5.569 1.00 3.22 C ATOM 468 CE1 TYR A 29 4.879 -3.533 7.957 1.00 62.50 C ATOM 469 CE2 TYR A 29 4.833 -3.654 5.576 1.00 34.41 C ATOM 470 CZ TYR A 29 4.219 -3.344 6.768 1.00 61.52 C ATOM 471 OH TYR A 29 2.945 -2.820 6.767 1.00 1.44 O ATOM 0 H TYR A 29 8.279 -2.039 7.037 1.00 20.24 H new ATOM 0 HA TYR A 29 10.264 -4.239 7.184 1.00 5.22 H new ATOM 0 HB2 TYR A 29 8.400 -5.566 5.924 1.00 73.13 H new ATOM 0 HB3 TYR A 29 8.402 -5.505 7.676 1.00 73.13 H new ATOM 0 HD1 TYR A 29 6.675 -4.178 8.895 1.00 43.33 H new ATOM 0 HD2 TYR A 29 6.595 -4.404 4.629 1.00 3.22 H new ATOM 0 HE1 TYR A 29 4.393 -3.291 8.891 1.00 62.50 H new ATOM 0 HE2 TYR A 29 4.308 -3.503 4.644 1.00 34.41 H new ATOM 0 HH TYR A 29 2.989 -1.852 6.913 1.00 1.44 H new ATOM 481 N GLU A 30 10.105 -4.376 4.482 1.00 42.45 N ATOM 482 CA GLU A 30 10.676 -4.136 3.143 1.00 23.43 C ATOM 483 C GLU A 30 10.120 -5.180 2.142 1.00 24.22 C ATOM 484 O GLU A 30 9.302 -6.008 2.550 1.00 44.13 O ATOM 485 CB GLU A 30 12.227 -4.204 3.288 1.00 4.52 C ATOM 486 CG GLU A 30 12.756 -5.549 3.810 1.00 61.43 C ATOM 487 CD GLU A 30 14.265 -5.545 4.077 1.00 73.54 C ATOM 488 OE1 GLU A 30 14.698 -4.818 4.997 1.00 12.40 O ATOM 489 OE2 GLU A 30 15.012 -6.274 3.392 1.00 63.34 O ATOM 0 H GLU A 30 10.019 -5.364 4.720 1.00 42.45 H new ATOM 0 HA GLU A 30 10.399 -3.158 2.749 1.00 23.43 H new ATOM 0 HB2 GLU A 30 12.680 -4.001 2.318 1.00 4.52 H new ATOM 0 HB3 GLU A 30 12.552 -3.413 3.963 1.00 4.52 H new ATOM 0 HG2 GLU A 30 12.232 -5.805 4.731 1.00 61.43 H new ATOM 0 HG3 GLU A 30 12.525 -6.329 3.084 1.00 61.43 H new ATOM 496 N PRO A 31 10.508 -5.145 0.802 1.00 24.20 N ATOM 497 CA PRO A 31 10.171 -6.229 -0.175 1.00 44.44 C ATOM 498 C PRO A 31 10.406 -7.671 0.353 1.00 44.10 C ATOM 499 O PRO A 31 9.637 -8.592 0.036 1.00 34.32 O ATOM 500 CB PRO A 31 11.128 -5.932 -1.350 1.00 61.14 C ATOM 501 CG PRO A 31 11.285 -4.438 -1.354 1.00 4.54 C ATOM 502 CD PRO A 31 11.236 -4.018 0.104 1.00 1.43 C ATOM 0 HA PRO A 31 9.109 -6.216 -0.422 1.00 44.44 H new ATOM 0 HB2 PRO A 31 12.088 -6.430 -1.213 1.00 61.14 H new ATOM 0 HB3 PRO A 31 10.716 -6.288 -2.294 1.00 61.14 H new ATOM 0 HG2 PRO A 31 12.228 -4.144 -1.815 1.00 4.54 H new ATOM 0 HG3 PRO A 31 10.489 -3.962 -1.926 1.00 4.54 H new ATOM 0 HD2 PRO A 31 12.238 -3.881 0.511 1.00 1.43 H new ATOM 0 HD3 PRO A 31 10.710 -3.071 0.226 1.00 1.43 H new ATOM 510 N ASP A 32 11.480 -7.833 1.142 1.00 11.11 N ATOM 511 CA ASP A 32 11.913 -9.127 1.700 1.00 72.50 C ATOM 512 C ASP A 32 11.136 -9.488 3.002 1.00 33.43 C ATOM 513 O ASP A 32 10.338 -10.442 3.014 1.00 3.40 O ATOM 514 CB ASP A 32 13.447 -9.055 1.957 1.00 34.13 C ATOM 515 CG ASP A 32 14.003 -10.197 2.838 1.00 72.11 C ATOM 516 OD1 ASP A 32 14.272 -11.300 2.310 1.00 43.14 O ATOM 517 OD2 ASP A 32 14.173 -9.984 4.062 1.00 1.54 O ATOM 0 H ASP A 32 12.083 -7.057 1.415 1.00 11.11 H new ATOM 0 HA ASP A 32 11.692 -9.921 0.987 1.00 72.50 H new ATOM 0 HB2 ASP A 32 13.964 -9.068 0.998 1.00 34.13 H new ATOM 0 HB3 ASP A 32 13.679 -8.101 2.431 1.00 34.13 H new ATOM 522 N SER A 33 11.388 -8.705 4.081 1.00 3.21 N ATOM 523 CA SER A 33 10.855 -8.956 5.445 1.00 72.05 C ATOM 524 C SER A 33 9.316 -8.861 5.483 1.00 31.55 C ATOM 525 O SER A 33 8.754 -7.965 4.860 1.00 1.24 O ATOM 526 CB SER A 33 11.479 -7.947 6.429 1.00 21.13 C ATOM 527 OG SER A 33 12.898 -7.916 6.309 1.00 63.22 O ATOM 0 H SER A 33 11.974 -7.872 4.028 1.00 3.21 H new ATOM 0 HA SER A 33 11.124 -9.971 5.737 1.00 72.05 H new ATOM 0 HB2 SER A 33 11.074 -6.953 6.239 1.00 21.13 H new ATOM 0 HB3 SER A 33 11.204 -8.214 7.450 1.00 21.13 H new ATOM 0 HG SER A 33 13.266 -7.266 6.944 1.00 63.22 H new ATOM 533 N VAL A 34 8.710 -9.695 6.371 1.00 44.15 N ATOM 534 CA VAL A 34 7.284 -10.193 6.347 1.00 12.15 C ATOM 535 C VAL A 34 7.233 -11.541 5.559 1.00 23.00 C ATOM 536 O VAL A 34 6.210 -11.966 5.016 1.00 64.51 O ATOM 537 CB VAL A 34 6.162 -9.136 5.892 1.00 55.00 C ATOM 538 CG1 VAL A 34 4.718 -9.690 5.993 1.00 14.41 C ATOM 539 CG2 VAL A 34 6.255 -7.840 6.718 1.00 23.23 C ATOM 0 H VAL A 34 9.222 -10.065 7.172 1.00 44.15 H new ATOM 0 HA VAL A 34 6.997 -10.360 7.385 1.00 12.15 H new ATOM 0 HB VAL A 34 6.368 -8.930 4.842 1.00 55.00 H new ATOM 0 HG11 VAL A 34 4.011 -8.925 5.671 1.00 14.41 H new ATOM 0 HG12 VAL A 34 4.619 -10.567 5.354 1.00 14.41 H new ATOM 0 HG13 VAL A 34 4.506 -9.968 7.026 1.00 14.41 H new ATOM 0 HG21 VAL A 34 5.484 -7.143 6.389 1.00 23.23 H new ATOM 0 HG22 VAL A 34 6.110 -8.070 7.773 1.00 23.23 H new ATOM 0 HG23 VAL A 34 7.237 -7.388 6.577 1.00 23.23 H new ATOM 549 N LEU A 35 8.399 -12.214 5.528 1.00 1.25 N ATOM 550 CA LEU A 35 8.492 -13.689 5.402 1.00 64.11 C ATOM 551 C LEU A 35 7.950 -14.264 4.063 1.00 15.31 C ATOM 552 O LEU A 35 7.467 -13.526 3.195 1.00 74.41 O ATOM 553 CB LEU A 35 7.753 -14.325 6.631 1.00 35.53 C ATOM 554 CG LEU A 35 8.314 -13.934 8.039 1.00 31.23 C ATOM 555 CD1 LEU A 35 7.394 -14.431 9.171 1.00 53.32 C ATOM 556 CD2 LEU A 35 9.757 -14.449 8.208 1.00 64.32 C ATOM 0 H LEU A 35 9.307 -11.753 5.589 1.00 1.25 H new ATOM 0 HA LEU A 35 9.550 -13.952 5.393 1.00 64.11 H new ATOM 0 HB2 LEU A 35 6.702 -14.039 6.587 1.00 35.53 H new ATOM 0 HB3 LEU A 35 7.792 -15.410 6.533 1.00 35.53 H new ATOM 0 HG LEU A 35 8.337 -12.846 8.105 1.00 31.23 H new ATOM 0 HD11 LEU A 35 7.814 -14.142 10.134 1.00 53.32 H new ATOM 0 HD12 LEU A 35 6.405 -13.986 9.058 1.00 53.32 H new ATOM 0 HD13 LEU A 35 7.311 -15.517 9.122 1.00 53.32 H new ATOM 0 HD21 LEU A 35 10.131 -14.168 9.193 1.00 64.32 H new ATOM 0 HD22 LEU A 35 9.770 -15.535 8.111 1.00 64.32 H new ATOM 0 HD23 LEU A 35 10.393 -14.009 7.440 1.00 64.32 H new ATOM 568 N PRO A 36 8.116 -15.610 3.832 1.00 23.42 N ATOM 569 CA PRO A 36 7.269 -16.350 2.878 1.00 51.01 C ATOM 570 C PRO A 36 5.810 -16.496 3.410 1.00 11.14 C ATOM 571 O PRO A 36 5.492 -17.457 4.126 1.00 50.11 O ATOM 572 CB PRO A 36 7.995 -17.729 2.734 1.00 22.22 C ATOM 573 CG PRO A 36 9.377 -17.513 3.287 1.00 15.15 C ATOM 574 CD PRO A 36 9.206 -16.480 4.374 1.00 32.35 C ATOM 0 HA PRO A 36 7.159 -15.844 1.919 1.00 51.01 H new ATOM 0 HB2 PRO A 36 7.469 -18.509 3.284 1.00 22.22 H new ATOM 0 HB3 PRO A 36 8.034 -18.045 1.692 1.00 22.22 H new ATOM 0 HG2 PRO A 36 9.792 -18.439 3.685 1.00 15.15 H new ATOM 0 HG3 PRO A 36 10.061 -17.163 2.514 1.00 15.15 H new ATOM 0 HD2 PRO A 36 8.926 -16.935 5.324 1.00 32.35 H new ATOM 0 HD3 PRO A 36 10.124 -15.918 4.547 1.00 32.35 H new ATOM 582 N LEU A 37 4.966 -15.471 3.136 1.00 43.34 N ATOM 583 CA LEU A 37 3.495 -15.541 3.345 1.00 51.13 C ATOM 584 C LEU A 37 2.929 -16.697 2.497 1.00 32.31 C ATOM 585 O LEU A 37 2.293 -17.630 2.994 1.00 75.13 O ATOM 586 CB LEU A 37 2.831 -14.189 2.930 1.00 71.43 C ATOM 587 CG LEU A 37 3.254 -12.923 3.739 1.00 75.34 C ATOM 588 CD1 LEU A 37 2.835 -11.636 3.001 1.00 50.23 C ATOM 589 CD2 LEU A 37 2.688 -12.955 5.184 1.00 4.22 C ATOM 0 H LEU A 37 5.282 -14.575 2.765 1.00 43.34 H new ATOM 0 HA LEU A 37 3.278 -15.720 4.398 1.00 51.13 H new ATOM 0 HB2 LEU A 37 3.052 -14.010 1.878 1.00 71.43 H new ATOM 0 HB3 LEU A 37 1.750 -14.301 3.014 1.00 71.43 H new ATOM 0 HG LEU A 37 4.341 -12.927 3.818 1.00 75.34 H new ATOM 0 HD11 LEU A 37 3.140 -10.767 3.584 1.00 50.23 H new ATOM 0 HD12 LEU A 37 3.316 -11.604 2.023 1.00 50.23 H new ATOM 0 HD13 LEU A 37 1.753 -11.626 2.874 1.00 50.23 H new ATOM 0 HD21 LEU A 37 3.002 -12.058 5.718 1.00 4.22 H new ATOM 0 HD22 LEU A 37 1.599 -12.993 5.148 1.00 4.22 H new ATOM 0 HD23 LEU A 37 3.064 -13.837 5.703 1.00 4.22 H new ATOM 601 N ALA A 38 3.203 -16.584 1.203 1.00 12.45 N ATOM 602 CA ALA A 38 3.075 -17.645 0.213 1.00 73.43 C ATOM 603 C ALA A 38 4.063 -17.281 -0.882 1.00 74.41 C ATOM 604 O ALA A 38 3.867 -16.257 -1.565 1.00 32.05 O ATOM 605 CB ALA A 38 1.645 -17.770 -0.337 1.00 31.31 C ATOM 0 H ALA A 38 3.536 -15.709 0.797 1.00 12.45 H new ATOM 0 HA ALA A 38 3.286 -18.620 0.652 1.00 73.43 H new ATOM 0 HB1 ALA A 38 1.606 -18.575 -1.071 1.00 31.31 H new ATOM 0 HB2 ALA A 38 0.959 -17.991 0.481 1.00 31.31 H new ATOM 0 HB3 ALA A 38 1.354 -16.833 -0.812 1.00 31.31 H new ATOM 611 N ASP A 39 5.157 -18.073 -0.976 1.00 13.34 N ATOM 612 CA ASP A 39 6.275 -17.798 -1.892 1.00 0.33 C ATOM 613 C ASP A 39 5.753 -17.667 -3.331 1.00 24.54 C ATOM 614 O ASP A 39 5.099 -18.577 -3.857 1.00 52.40 O ATOM 615 CB ASP A 39 7.368 -18.893 -1.826 1.00 64.03 C ATOM 616 CG ASP A 39 8.587 -18.560 -2.721 1.00 30.23 C ATOM 617 OD1 ASP A 39 9.339 -17.608 -2.382 1.00 50.33 O ATOM 618 OD2 ASP A 39 8.794 -19.227 -3.761 1.00 62.51 O ATOM 0 H ASP A 39 5.284 -18.917 -0.418 1.00 13.34 H new ATOM 0 HA ASP A 39 6.732 -16.860 -1.577 1.00 0.33 H new ATOM 0 HB2 ASP A 39 7.699 -19.011 -0.794 1.00 64.03 H new ATOM 0 HB3 ASP A 39 6.942 -19.847 -2.136 1.00 64.03 H new ATOM 623 N GLY A 40 6.030 -16.512 -3.934 1.00 31.24 N ATOM 624 CA GLY A 40 5.397 -16.100 -5.173 1.00 45.51 C ATOM 625 C GLY A 40 4.298 -15.106 -4.897 1.00 43.13 C ATOM 626 O GLY A 40 4.599 -13.954 -4.635 1.00 12.40 O ATOM 0 H GLY A 40 6.703 -15.837 -3.571 1.00 31.24 H new ATOM 0 HA2 GLY A 40 6.138 -15.657 -5.838 1.00 45.51 H new ATOM 0 HA3 GLY A 40 4.988 -16.970 -5.687 1.00 45.51 H new ATOM 630 N VAL A 41 3.045 -15.590 -4.819 1.00 73.44 N ATOM 631 CA VAL A 41 1.845 -14.745 -4.910 1.00 54.20 C ATOM 632 C VAL A 41 1.737 -13.654 -3.797 1.00 41.40 C ATOM 633 O VAL A 41 1.757 -12.460 -4.111 1.00 4.35 O ATOM 634 CB VAL A 41 0.525 -15.620 -4.982 1.00 34.25 C ATOM 635 CG1 VAL A 41 0.471 -16.427 -6.301 1.00 64.20 C ATOM 636 CG2 VAL A 41 0.363 -16.565 -3.760 1.00 72.44 C ATOM 0 H VAL A 41 2.838 -16.581 -4.691 1.00 73.44 H new ATOM 0 HA VAL A 41 1.955 -14.196 -5.845 1.00 54.20 H new ATOM 0 HB VAL A 41 -0.312 -14.922 -4.957 1.00 34.25 H new ATOM 0 HG11 VAL A 41 -0.443 -17.020 -6.328 1.00 64.20 H new ATOM 0 HG12 VAL A 41 0.484 -15.741 -7.148 1.00 64.20 H new ATOM 0 HG13 VAL A 41 1.335 -17.090 -6.358 1.00 64.20 H new ATOM 0 HG21 VAL A 41 -0.558 -17.139 -3.864 1.00 72.44 H new ATOM 0 HG22 VAL A 41 1.212 -17.247 -3.712 1.00 72.44 H new ATOM 0 HG23 VAL A 41 0.321 -15.973 -2.846 1.00 72.44 H new ATOM 646 N LEU A 42 1.688 -14.055 -2.509 1.00 64.24 N ATOM 647 CA LEU A 42 1.395 -13.115 -1.400 1.00 25.52 C ATOM 648 C LEU A 42 2.614 -12.237 -1.058 1.00 32.40 C ATOM 649 O LEU A 42 2.450 -11.097 -0.602 1.00 11.22 O ATOM 650 CB LEU A 42 0.878 -13.869 -0.144 1.00 23.42 C ATOM 651 CG LEU A 42 -0.480 -14.638 -0.293 1.00 71.15 C ATOM 652 CD1 LEU A 42 -0.911 -15.258 1.052 1.00 52.40 C ATOM 653 CD2 LEU A 42 -1.591 -13.735 -0.873 1.00 60.23 C ATOM 0 H LEU A 42 1.846 -15.017 -2.210 1.00 64.24 H new ATOM 0 HA LEU A 42 0.602 -12.450 -1.742 1.00 25.52 H new ATOM 0 HB2 LEU A 42 1.642 -14.584 0.162 1.00 23.42 H new ATOM 0 HB3 LEU A 42 0.773 -13.148 0.667 1.00 23.42 H new ATOM 0 HG LEU A 42 -0.321 -15.448 -1.005 1.00 71.15 H new ATOM 0 HD11 LEU A 42 -1.856 -15.786 0.923 1.00 52.40 H new ATOM 0 HD12 LEU A 42 -0.147 -15.958 1.391 1.00 52.40 H new ATOM 0 HD13 LEU A 42 -1.035 -14.469 1.793 1.00 52.40 H new ATOM 0 HD21 LEU A 42 -2.515 -14.306 -0.960 1.00 60.23 H new ATOM 0 HD22 LEU A 42 -1.751 -12.884 -0.211 1.00 60.23 H new ATOM 0 HD23 LEU A 42 -1.292 -13.377 -1.858 1.00 60.23 H new ATOM 665 N SER A 43 3.834 -12.770 -1.287 1.00 21.53 N ATOM 666 CA SER A 43 5.086 -12.010 -1.094 1.00 54.11 C ATOM 667 C SER A 43 5.283 -10.996 -2.250 1.00 52.41 C ATOM 668 O SER A 43 5.875 -9.928 -2.049 1.00 13.14 O ATOM 669 CB SER A 43 6.303 -12.963 -0.968 1.00 4.24 C ATOM 670 OG SER A 43 7.471 -12.249 -0.571 1.00 32.22 O ATOM 0 H SER A 43 3.977 -13.728 -1.607 1.00 21.53 H new ATOM 0 HA SER A 43 5.011 -11.452 -0.160 1.00 54.11 H new ATOM 0 HB2 SER A 43 6.084 -13.744 -0.239 1.00 4.24 H new ATOM 0 HB3 SER A 43 6.482 -13.459 -1.922 1.00 4.24 H new ATOM 0 HG SER A 43 8.225 -12.871 -0.497 1.00 32.22 H new ATOM 676 N PHE A 44 4.755 -11.341 -3.450 1.00 51.01 N ATOM 677 CA PHE A 44 4.710 -10.447 -4.628 1.00 13.53 C ATOM 678 C PHE A 44 3.793 -9.257 -4.328 1.00 34.14 C ATOM 679 O PHE A 44 4.194 -8.122 -4.526 1.00 23.31 O ATOM 680 CB PHE A 44 4.223 -11.235 -5.887 1.00 11.03 C ATOM 681 CG PHE A 44 3.717 -10.392 -7.063 1.00 45.14 C ATOM 682 CD1 PHE A 44 4.608 -9.780 -7.943 1.00 61.21 C ATOM 683 CD2 PHE A 44 2.345 -10.208 -7.281 1.00 53.25 C ATOM 684 CE1 PHE A 44 4.149 -9.022 -9.002 1.00 44.40 C ATOM 685 CE2 PHE A 44 1.888 -9.448 -8.339 1.00 24.14 C ATOM 686 CZ PHE A 44 2.790 -8.850 -9.197 1.00 12.33 C ATOM 0 H PHE A 44 4.345 -12.258 -3.626 1.00 51.01 H new ATOM 0 HA PHE A 44 5.710 -10.070 -4.840 1.00 13.53 H new ATOM 0 HB2 PHE A 44 5.046 -11.857 -6.241 1.00 11.03 H new ATOM 0 HB3 PHE A 44 3.423 -11.909 -5.580 1.00 11.03 H new ATOM 0 HD1 PHE A 44 5.671 -9.900 -7.795 1.00 61.21 H new ATOM 0 HD2 PHE A 44 1.634 -10.668 -6.611 1.00 53.25 H new ATOM 0 HE1 PHE A 44 4.853 -8.562 -9.680 1.00 44.40 H new ATOM 0 HE2 PHE A 44 0.827 -9.321 -8.495 1.00 24.14 H new ATOM 0 HZ PHE A 44 2.435 -8.248 -10.020 1.00 12.33 H new ATOM 696 N ILE A 45 2.570 -9.559 -3.838 1.00 33.20 N ATOM 697 CA ILE A 45 1.556 -8.545 -3.439 1.00 75.13 C ATOM 698 C ILE A 45 2.137 -7.594 -2.377 1.00 4.41 C ATOM 699 O ILE A 45 2.035 -6.371 -2.493 1.00 12.54 O ATOM 700 CB ILE A 45 0.267 -9.251 -2.876 1.00 1.43 C ATOM 701 CG1 ILE A 45 -0.369 -10.155 -3.977 1.00 53.23 C ATOM 702 CG2 ILE A 45 -0.758 -8.217 -2.342 1.00 11.35 C ATOM 703 CD1 ILE A 45 -1.509 -11.044 -3.515 1.00 52.02 C ATOM 0 H ILE A 45 2.252 -10.519 -3.706 1.00 33.20 H new ATOM 0 HA ILE A 45 1.285 -7.965 -4.321 1.00 75.13 H new ATOM 0 HB ILE A 45 0.559 -9.878 -2.034 1.00 1.43 H new ATOM 0 HG12 ILE A 45 -0.733 -9.516 -4.782 1.00 53.23 H new ATOM 0 HG13 ILE A 45 0.412 -10.786 -4.400 1.00 53.23 H new ATOM 0 HG21 ILE A 45 -1.636 -8.739 -1.961 1.00 11.35 H new ATOM 0 HG22 ILE A 45 -0.304 -7.636 -1.539 1.00 11.35 H new ATOM 0 HG23 ILE A 45 -1.055 -7.549 -3.150 1.00 11.35 H new ATOM 0 HD11 ILE A 45 -1.878 -11.630 -4.357 1.00 52.02 H new ATOM 0 HD12 ILE A 45 -1.153 -11.716 -2.734 1.00 52.02 H new ATOM 0 HD13 ILE A 45 -2.316 -10.426 -3.122 1.00 52.02 H new ATOM 715 N HIS A 46 2.757 -8.215 -1.361 1.00 73.44 N ATOM 716 CA HIS A 46 3.545 -7.547 -0.308 1.00 32.32 C ATOM 717 C HIS A 46 4.575 -6.571 -0.931 1.00 64.51 C ATOM 718 O HIS A 46 4.627 -5.385 -0.554 1.00 3.12 O ATOM 719 CB HIS A 46 4.219 -8.658 0.555 1.00 55.12 C ATOM 720 CG HIS A 46 5.384 -8.258 1.400 1.00 24.23 C ATOM 721 ND1 HIS A 46 6.531 -9.012 1.443 1.00 11.44 N ATOM 722 CD2 HIS A 46 5.577 -7.229 2.260 1.00 42.10 C ATOM 723 CE1 HIS A 46 7.362 -8.477 2.291 1.00 21.55 C ATOM 724 NE2 HIS A 46 6.816 -7.395 2.795 1.00 70.15 N ATOM 0 H HIS A 46 2.724 -9.228 -1.244 1.00 73.44 H new ATOM 0 HA HIS A 46 2.906 -6.939 0.332 1.00 32.32 H new ATOM 0 HB2 HIS A 46 3.459 -9.084 1.209 1.00 55.12 H new ATOM 0 HB3 HIS A 46 4.546 -9.453 -0.115 1.00 55.12 H new ATOM 0 HD2 HIS A 46 4.882 -6.432 2.478 1.00 42.10 H new ATOM 0 HE1 HIS A 46 8.341 -8.861 2.539 1.00 21.55 H new ATOM 0 HE2 HIS A 46 7.252 -6.777 3.479 1.00 70.15 H new ATOM 733 N HIS A 47 5.340 -7.071 -1.924 1.00 44.11 N ATOM 734 CA HIS A 47 6.363 -6.281 -2.618 1.00 70.42 C ATOM 735 C HIS A 47 5.716 -5.130 -3.422 1.00 12.51 C ATOM 736 O HIS A 47 6.275 -4.065 -3.445 1.00 33.23 O ATOM 737 CB HIS A 47 7.234 -7.188 -3.538 1.00 21.03 C ATOM 738 CG HIS A 47 8.314 -6.479 -4.328 1.00 50.11 C ATOM 739 ND1 HIS A 47 8.800 -6.966 -5.512 1.00 12.54 N ATOM 740 CD2 HIS A 47 8.989 -5.321 -4.111 1.00 2.03 C ATOM 741 CE1 HIS A 47 9.708 -6.142 -5.988 1.00 53.52 C ATOM 742 NE2 HIS A 47 9.845 -5.132 -5.157 1.00 73.05 N ATOM 0 H HIS A 47 5.262 -8.030 -2.262 1.00 44.11 H new ATOM 0 HA HIS A 47 7.018 -5.838 -1.868 1.00 70.42 H new ATOM 0 HB2 HIS A 47 7.704 -7.954 -2.922 1.00 21.03 H new ATOM 0 HB3 HIS A 47 6.576 -7.702 -4.238 1.00 21.03 H new ATOM 0 HD2 HIS A 47 8.870 -4.665 -3.261 1.00 2.03 H new ATOM 0 HE1 HIS A 47 10.253 -6.274 -6.911 1.00 53.52 H new ATOM 0 HE2 HIS A 47 10.481 -4.343 -5.274 1.00 73.05 H new ATOM 751 N GLN A 48 4.538 -5.352 -4.045 1.00 61.31 N ATOM 752 CA GLN A 48 3.852 -4.329 -4.883 1.00 43.13 C ATOM 753 C GLN A 48 3.334 -3.153 -4.026 1.00 54.13 C ATOM 754 O GLN A 48 3.470 -1.976 -4.417 1.00 31.40 O ATOM 755 CB GLN A 48 2.684 -4.976 -5.673 1.00 53.41 C ATOM 756 CG GLN A 48 3.112 -6.086 -6.657 1.00 42.44 C ATOM 757 CD GLN A 48 4.014 -5.592 -7.785 1.00 21.44 C ATOM 758 OE1 GLN A 48 5.242 -5.572 -7.662 1.00 74.23 O ATOM 759 NE2 GLN A 48 3.415 -5.224 -8.905 1.00 31.42 N ATOM 0 H GLN A 48 4.034 -6.237 -3.986 1.00 61.31 H new ATOM 0 HA GLN A 48 4.581 -3.931 -5.589 1.00 43.13 H new ATOM 0 HB2 GLN A 48 1.970 -5.393 -4.963 1.00 53.41 H new ATOM 0 HB3 GLN A 48 2.163 -4.197 -6.229 1.00 53.41 H new ATOM 0 HG2 GLN A 48 3.632 -6.869 -6.104 1.00 42.44 H new ATOM 0 HG3 GLN A 48 2.220 -6.540 -7.089 1.00 42.44 H new ATOM 0 HE21 GLN A 48 2.398 -5.253 -8.973 1.00 31.42 H new ATOM 0 HE22 GLN A 48 3.970 -4.911 -9.701 1.00 31.42 H new ATOM 768 N ILE A 49 2.754 -3.498 -2.850 1.00 54.05 N ATOM 769 CA ILE A 49 2.291 -2.520 -1.848 1.00 63.15 C ATOM 770 C ILE A 49 3.487 -1.669 -1.397 1.00 3.14 C ATOM 771 O ILE A 49 3.452 -0.441 -1.495 1.00 30.24 O ATOM 772 CB ILE A 49 1.609 -3.234 -0.603 1.00 41.23 C ATOM 773 CG1 ILE A 49 0.354 -4.070 -1.045 1.00 23.01 C ATOM 774 CG2 ILE A 49 1.226 -2.206 0.495 1.00 1.21 C ATOM 775 CD1 ILE A 49 -0.307 -4.892 0.056 1.00 63.44 C ATOM 0 H ILE A 49 2.596 -4.467 -2.574 1.00 54.05 H new ATOM 0 HA ILE A 49 1.533 -1.882 -2.302 1.00 63.15 H new ATOM 0 HB ILE A 49 2.340 -3.922 -0.179 1.00 41.23 H new ATOM 0 HG12 ILE A 49 -0.388 -3.388 -1.460 1.00 23.01 H new ATOM 0 HG13 ILE A 49 0.652 -4.744 -1.848 1.00 23.01 H new ATOM 0 HG21 ILE A 49 0.762 -2.725 1.333 1.00 1.21 H new ATOM 0 HG22 ILE A 49 2.122 -1.690 0.839 1.00 1.21 H new ATOM 0 HG23 ILE A 49 0.525 -1.480 0.085 1.00 1.21 H new ATOM 0 HD11 ILE A 49 -1.162 -5.430 -0.355 1.00 63.44 H new ATOM 0 HD12 ILE A 49 0.412 -5.606 0.458 1.00 63.44 H new ATOM 0 HD13 ILE A 49 -0.644 -4.229 0.852 1.00 63.44 H new ATOM 787 N ILE A 50 4.576 -2.356 -0.996 1.00 23.52 N ATOM 788 CA ILE A 50 5.808 -1.692 -0.542 1.00 30.33 C ATOM 789 C ILE A 50 6.519 -0.960 -1.700 1.00 62.34 C ATOM 790 O ILE A 50 7.173 0.048 -1.471 1.00 62.12 O ATOM 791 CB ILE A 50 6.771 -2.719 0.172 1.00 60.24 C ATOM 792 CG1 ILE A 50 6.079 -3.309 1.440 1.00 1.11 C ATOM 793 CG2 ILE A 50 8.135 -2.091 0.543 1.00 22.34 C ATOM 794 CD1 ILE A 50 5.620 -2.270 2.460 1.00 61.20 C ATOM 0 H ILE A 50 4.624 -3.375 -0.979 1.00 23.52 H new ATOM 0 HA ILE A 50 5.526 -0.935 0.190 1.00 30.33 H new ATOM 0 HB ILE A 50 6.974 -3.521 -0.538 1.00 60.24 H new ATOM 0 HG12 ILE A 50 5.216 -3.896 1.126 1.00 1.11 H new ATOM 0 HG13 ILE A 50 6.771 -3.996 1.928 1.00 1.11 H new ATOM 0 HG21 ILE A 50 8.759 -2.839 1.031 1.00 22.34 H new ATOM 0 HG22 ILE A 50 8.631 -1.738 -0.361 1.00 22.34 H new ATOM 0 HG23 ILE A 50 7.977 -1.252 1.221 1.00 22.34 H new ATOM 0 HD11 ILE A 50 5.151 -2.773 3.306 1.00 61.20 H new ATOM 0 HD12 ILE A 50 6.480 -1.698 2.809 1.00 61.20 H new ATOM 0 HD13 ILE A 50 4.901 -1.596 1.995 1.00 61.20 H new ATOM 806 N GLU A 51 6.329 -1.442 -2.935 1.00 45.42 N ATOM 807 CA GLU A 51 6.959 -0.864 -4.135 1.00 52.12 C ATOM 808 C GLU A 51 6.420 0.546 -4.354 1.00 61.43 C ATOM 809 O GLU A 51 7.168 1.526 -4.323 1.00 52.11 O ATOM 810 CB GLU A 51 6.656 -1.731 -5.396 1.00 51.10 C ATOM 811 CG GLU A 51 7.502 -1.397 -6.641 1.00 1.32 C ATOM 812 CD GLU A 51 8.952 -1.926 -6.550 1.00 53.42 C ATOM 813 OE1 GLU A 51 9.798 -1.287 -5.890 1.00 43.05 O ATOM 814 OE2 GLU A 51 9.239 -3.006 -7.119 1.00 63.20 O ATOM 0 H GLU A 51 5.733 -2.246 -3.133 1.00 45.42 H new ATOM 0 HA GLU A 51 8.038 -0.838 -3.983 1.00 52.12 H new ATOM 0 HB2 GLU A 51 6.811 -2.780 -5.142 1.00 51.10 H new ATOM 0 HB3 GLU A 51 5.602 -1.617 -5.651 1.00 51.10 H new ATOM 0 HG2 GLU A 51 7.022 -1.821 -7.523 1.00 1.32 H new ATOM 0 HG3 GLU A 51 7.524 -0.316 -6.778 1.00 1.32 H new ATOM 821 N LEU A 52 5.083 0.620 -4.505 1.00 25.51 N ATOM 822 CA LEU A 52 4.379 1.873 -4.796 1.00 54.43 C ATOM 823 C LEU A 52 4.306 2.795 -3.562 1.00 55.14 C ATOM 824 O LEU A 52 4.202 4.009 -3.722 1.00 12.43 O ATOM 825 CB LEU A 52 2.963 1.571 -5.347 1.00 51.10 C ATOM 826 CG LEU A 52 2.896 0.722 -6.659 1.00 73.22 C ATOM 827 CD1 LEU A 52 1.428 0.495 -7.091 1.00 43.22 C ATOM 828 CD2 LEU A 52 3.727 1.365 -7.795 1.00 45.32 C ATOM 0 H LEU A 52 4.466 -0.189 -4.428 1.00 25.51 H new ATOM 0 HA LEU A 52 4.948 2.407 -5.557 1.00 54.43 H new ATOM 0 HB2 LEU A 52 2.399 1.050 -4.573 1.00 51.10 H new ATOM 0 HB3 LEU A 52 2.457 2.519 -5.527 1.00 51.10 H new ATOM 0 HG LEU A 52 3.339 -0.252 -6.450 1.00 73.22 H new ATOM 0 HD11 LEU A 52 1.405 -0.098 -8.006 1.00 43.22 H new ATOM 0 HD12 LEU A 52 0.894 -0.035 -6.302 1.00 43.22 H new ATOM 0 HD13 LEU A 52 0.949 1.457 -7.270 1.00 43.22 H new ATOM 0 HD21 LEU A 52 3.657 0.748 -8.691 1.00 45.32 H new ATOM 0 HD22 LEU A 52 3.340 2.361 -8.010 1.00 45.32 H new ATOM 0 HD23 LEU A 52 4.770 1.439 -7.486 1.00 45.32 H new ATOM 840 N ALA A 53 4.364 2.219 -2.339 1.00 74.50 N ATOM 841 CA ALA A 53 4.376 3.010 -1.086 1.00 33.22 C ATOM 842 C ALA A 53 5.745 3.690 -0.876 1.00 3.05 C ATOM 843 O ALA A 53 5.795 4.891 -0.612 1.00 10.15 O ATOM 844 CB ALA A 53 3.983 2.151 0.125 1.00 32.42 C ATOM 0 H ALA A 53 4.403 1.210 -2.193 1.00 74.50 H new ATOM 0 HA ALA A 53 3.626 3.795 -1.181 1.00 33.22 H new ATOM 0 HB1 ALA A 53 4.002 2.763 1.027 1.00 32.42 H new ATOM 0 HB2 ALA A 53 2.979 1.753 -0.022 1.00 32.42 H new ATOM 0 HB3 ALA A 53 4.688 1.327 0.231 1.00 32.42 H new ATOM 850 N ARG A 54 6.856 2.928 -1.017 1.00 41.15 N ATOM 851 CA ARG A 54 8.226 3.500 -0.970 1.00 62.02 C ATOM 852 C ARG A 54 8.406 4.533 -2.100 1.00 63.45 C ATOM 853 O ARG A 54 9.010 5.583 -1.891 1.00 4.40 O ATOM 854 CB ARG A 54 9.323 2.402 -1.101 1.00 4.44 C ATOM 855 CG ARG A 54 9.551 1.504 0.140 1.00 55.44 C ATOM 856 CD ARG A 54 10.033 2.280 1.399 1.00 61.11 C ATOM 857 NE ARG A 54 10.919 1.476 2.278 1.00 52.32 N ATOM 858 CZ ARG A 54 10.579 0.382 2.991 1.00 10.22 C ATOM 859 NH1 ARG A 54 9.347 -0.105 2.975 1.00 31.25 N ATOM 860 NH2 ARG A 54 11.494 -0.223 3.738 1.00 32.34 N ATOM 0 H ARG A 54 6.832 1.919 -1.164 1.00 41.15 H new ATOM 0 HA ARG A 54 8.342 3.981 0.001 1.00 62.02 H new ATOM 0 HB2 ARG A 54 9.065 1.761 -1.944 1.00 4.44 H new ATOM 0 HB3 ARG A 54 10.266 2.889 -1.348 1.00 4.44 H new ATOM 0 HG2 ARG A 54 8.621 0.987 0.378 1.00 55.44 H new ATOM 0 HG3 ARG A 54 10.287 0.739 -0.107 1.00 55.44 H new ATOM 0 HD2 ARG A 54 10.564 3.178 1.083 1.00 61.11 H new ATOM 0 HD3 ARG A 54 9.165 2.607 1.971 1.00 61.11 H new ATOM 0 HE ARG A 54 11.889 1.784 2.351 1.00 52.32 H new ATOM 0 HH11 ARG A 54 8.626 0.349 2.413 1.00 31.25 H new ATOM 0 HH12 ARG A 54 9.119 -0.934 3.524 1.00 31.25 H new ATOM 0 HH21 ARG A 54 12.447 0.139 3.770 1.00 32.34 H new ATOM 0 HH22 ARG A 54 11.244 -1.050 4.280 1.00 32.34 H new ATOM 874 N ASP A 55 7.850 4.201 -3.286 1.00 32.11 N ATOM 875 CA ASP A 55 7.880 5.062 -4.481 1.00 22.44 C ATOM 876 C ASP A 55 7.106 6.373 -4.225 1.00 1.32 C ATOM 877 O ASP A 55 7.572 7.451 -4.595 1.00 74.43 O ATOM 878 CB ASP A 55 7.284 4.290 -5.692 1.00 32.34 C ATOM 879 CG ASP A 55 7.432 4.986 -7.060 1.00 73.45 C ATOM 880 OD1 ASP A 55 8.472 5.642 -7.299 1.00 73.14 O ATOM 881 OD2 ASP A 55 6.520 4.844 -7.917 1.00 20.22 O ATOM 0 H ASP A 55 7.363 3.318 -3.438 1.00 32.11 H new ATOM 0 HA ASP A 55 8.913 5.327 -4.707 1.00 22.44 H new ATOM 0 HB2 ASP A 55 7.762 3.312 -5.748 1.00 32.34 H new ATOM 0 HB3 ASP A 55 6.224 4.117 -5.505 1.00 32.34 H new ATOM 886 N CYS A 56 5.941 6.260 -3.541 1.00 12.13 N ATOM 887 CA CYS A 56 5.101 7.417 -3.166 1.00 74.32 C ATOM 888 C CYS A 56 5.868 8.356 -2.234 1.00 15.21 C ATOM 889 O CYS A 56 5.945 9.559 -2.484 1.00 73.30 O ATOM 890 CB CYS A 56 3.804 6.953 -2.472 1.00 21.15 C ATOM 891 SG CYS A 56 2.693 8.308 -2.039 1.00 23.35 S ATOM 0 H CYS A 56 5.561 5.364 -3.236 1.00 12.13 H new ATOM 0 HA CYS A 56 4.841 7.950 -4.081 1.00 74.32 H new ATOM 0 HB2 CYS A 56 3.279 6.259 -3.128 1.00 21.15 H new ATOM 0 HB3 CYS A 56 4.063 6.403 -1.567 1.00 21.15 H new ATOM 0 HG CYS A 56 1.630 7.830 -1.463 1.00 23.35 H new ATOM 897 N LEU A 57 6.460 7.752 -1.186 1.00 72.13 N ATOM 898 CA LEU A 57 7.276 8.442 -0.168 1.00 61.50 C ATOM 899 C LEU A 57 8.473 9.187 -0.806 1.00 53.12 C ATOM 900 O LEU A 57 8.759 10.338 -0.446 1.00 5.21 O ATOM 901 CB LEU A 57 7.755 7.390 0.866 1.00 23.42 C ATOM 902 CG LEU A 57 8.776 7.854 1.957 1.00 34.15 C ATOM 903 CD1 LEU A 57 8.306 9.130 2.684 1.00 0.14 C ATOM 904 CD2 LEU A 57 9.035 6.717 2.962 1.00 31.40 C ATOM 0 H LEU A 57 6.383 6.749 -1.020 1.00 72.13 H new ATOM 0 HA LEU A 57 6.671 9.201 0.329 1.00 61.50 H new ATOM 0 HB2 LEU A 57 6.876 6.996 1.376 1.00 23.42 H new ATOM 0 HB3 LEU A 57 8.203 6.561 0.318 1.00 23.42 H new ATOM 0 HG LEU A 57 9.710 8.100 1.452 1.00 34.15 H new ATOM 0 HD11 LEU A 57 9.045 9.416 3.432 1.00 0.14 H new ATOM 0 HD12 LEU A 57 8.190 9.938 1.962 1.00 0.14 H new ATOM 0 HD13 LEU A 57 7.350 8.939 3.172 1.00 0.14 H new ATOM 0 HD21 LEU A 57 9.747 7.053 3.716 1.00 31.40 H new ATOM 0 HD22 LEU A 57 8.099 6.439 3.446 1.00 31.40 H new ATOM 0 HD23 LEU A 57 9.443 5.853 2.437 1.00 31.40 H new ATOM 916 N THR A 58 9.141 8.516 -1.763 1.00 73.53 N ATOM 917 CA THR A 58 10.259 9.092 -2.519 1.00 61.52 C ATOM 918 C THR A 58 9.786 10.324 -3.322 1.00 70.33 C ATOM 919 O THR A 58 10.354 11.398 -3.194 1.00 41.44 O ATOM 920 CB THR A 58 10.897 8.023 -3.474 1.00 74.43 C ATOM 921 OG1 THR A 58 11.366 6.908 -2.698 1.00 14.52 O ATOM 922 CG2 THR A 58 12.069 8.588 -4.295 1.00 13.22 C ATOM 0 H THR A 58 8.917 7.558 -2.031 1.00 73.53 H new ATOM 0 HA THR A 58 11.023 9.411 -1.810 1.00 61.52 H new ATOM 0 HB THR A 58 10.121 7.713 -4.174 1.00 74.43 H new ATOM 0 HG1 THR A 58 10.600 6.390 -2.374 1.00 14.52 H new ATOM 0 HG21 THR A 58 12.473 7.806 -4.938 1.00 13.22 H new ATOM 0 HG22 THR A 58 11.717 9.417 -4.909 1.00 13.22 H new ATOM 0 HG23 THR A 58 12.849 8.942 -3.620 1.00 13.22 H new ATOM 930 N LYS A 59 8.691 10.148 -4.076 1.00 73.44 N ATOM 931 CA LYS A 59 8.142 11.168 -4.996 1.00 73.12 C ATOM 932 C LYS A 59 7.432 12.325 -4.271 1.00 63.11 C ATOM 933 O LYS A 59 7.210 13.376 -4.885 1.00 24.22 O ATOM 934 CB LYS A 59 7.225 10.505 -6.039 1.00 33.34 C ATOM 935 CG LYS A 59 7.973 9.519 -6.972 1.00 63.10 C ATOM 936 CD LYS A 59 7.059 8.917 -8.063 1.00 23.42 C ATOM 937 CE LYS A 59 5.844 8.168 -7.485 1.00 43.13 C ATOM 938 NZ LYS A 59 5.173 7.351 -8.527 1.00 71.13 N ATOM 0 H LYS A 59 8.151 9.283 -4.067 1.00 73.44 H new ATOM 0 HA LYS A 59 8.989 11.623 -5.509 1.00 73.12 H new ATOM 0 HB2 LYS A 59 6.426 9.972 -5.524 1.00 33.34 H new ATOM 0 HB3 LYS A 59 6.753 11.280 -6.643 1.00 33.34 H new ATOM 0 HG2 LYS A 59 8.806 10.037 -7.447 1.00 63.10 H new ATOM 0 HG3 LYS A 59 8.398 8.712 -6.375 1.00 63.10 H new ATOM 0 HD2 LYS A 59 6.709 9.716 -8.717 1.00 23.42 H new ATOM 0 HD3 LYS A 59 7.641 8.232 -8.680 1.00 23.42 H new ATOM 0 HE2 LYS A 59 6.166 7.525 -6.666 1.00 43.13 H new ATOM 0 HE3 LYS A 59 5.136 8.884 -7.069 1.00 43.13 H new ATOM 0 HZ1 LYS A 59 4.190 7.164 -8.242 1.00 71.13 H new ATOM 0 HZ2 LYS A 59 5.180 7.866 -9.430 1.00 71.13 H new ATOM 0 HZ3 LYS A 59 5.678 6.449 -8.639 1.00 71.13 H new ATOM 952 N SER A 60 7.047 12.115 -2.987 1.00 70.53 N ATOM 953 CA SER A 60 6.500 13.187 -2.105 1.00 2.31 C ATOM 954 C SER A 60 7.441 14.429 -2.024 1.00 23.23 C ATOM 955 O SER A 60 6.994 15.530 -1.664 1.00 23.04 O ATOM 956 CB SER A 60 6.231 12.625 -0.682 1.00 32.34 C ATOM 957 OG SER A 60 5.264 11.586 -0.706 1.00 43.40 O ATOM 0 H SER A 60 7.105 11.204 -2.532 1.00 70.53 H new ATOM 0 HA SER A 60 5.562 13.522 -2.549 1.00 2.31 H new ATOM 0 HB2 SER A 60 7.161 12.248 -0.257 1.00 32.34 H new ATOM 0 HB3 SER A 60 5.886 13.429 -0.032 1.00 32.34 H new ATOM 0 HG SER A 60 5.549 10.888 -1.332 1.00 43.40 H new ATOM 963 N ARG A 61 8.741 14.220 -2.364 1.00 53.45 N ATOM 964 CA ARG A 61 9.775 15.285 -2.450 1.00 23.13 C ATOM 965 C ARG A 61 9.379 16.440 -3.405 1.00 53.00 C ATOM 966 O ARG A 61 9.805 17.585 -3.212 1.00 54.55 O ATOM 967 CB ARG A 61 11.136 14.664 -2.888 1.00 14.12 C ATOM 968 CG ARG A 61 11.185 14.132 -4.346 1.00 0.12 C ATOM 969 CD ARG A 61 12.481 13.355 -4.664 1.00 21.43 C ATOM 970 NE ARG A 61 13.685 14.209 -4.616 1.00 70.41 N ATOM 971 CZ ARG A 61 14.752 14.020 -3.821 1.00 35.35 C ATOM 972 NH1 ARG A 61 14.809 12.989 -2.969 1.00 50.12 N ATOM 973 NH2 ARG A 61 15.769 14.864 -3.902 1.00 14.15 N ATOM 0 H ARG A 61 9.104 13.294 -2.589 1.00 53.45 H new ATOM 0 HA ARG A 61 9.867 15.723 -1.456 1.00 23.13 H new ATOM 0 HB2 ARG A 61 11.915 15.416 -2.767 1.00 14.12 H new ATOM 0 HB3 ARG A 61 11.377 13.844 -2.211 1.00 14.12 H new ATOM 0 HG2 ARG A 61 10.327 13.482 -4.518 1.00 0.12 H new ATOM 0 HG3 ARG A 61 11.093 14.971 -5.036 1.00 0.12 H new ATOM 0 HD2 ARG A 61 12.593 12.537 -3.953 1.00 21.43 H new ATOM 0 HD3 ARG A 61 12.397 12.907 -5.654 1.00 21.43 H new ATOM 0 HE ARG A 61 13.709 15.014 -5.242 1.00 70.41 H new ATOM 0 HH11 ARG A 61 14.033 12.329 -2.915 1.00 50.12 H new ATOM 0 HH12 ARG A 61 15.628 12.864 -2.374 1.00 50.12 H new ATOM 0 HH21 ARG A 61 15.735 15.642 -4.560 1.00 14.15 H new ATOM 0 HH22 ARG A 61 16.587 14.736 -3.306 1.00 14.15 H new ATOM 987 N ASP A 62 8.577 16.117 -4.431 1.00 11.12 N ATOM 988 CA ASP A 62 8.055 17.096 -5.395 1.00 54.44 C ATOM 989 C ASP A 62 6.984 17.991 -4.764 1.00 72.32 C ATOM 990 O ASP A 62 6.981 19.204 -4.965 1.00 73.54 O ATOM 991 CB ASP A 62 7.419 16.380 -6.612 1.00 34.33 C ATOM 992 CG ASP A 62 8.431 15.659 -7.503 1.00 55.42 C ATOM 993 OD1 ASP A 62 9.396 16.320 -7.957 1.00 12.42 O ATOM 994 OD2 ASP A 62 8.236 14.458 -7.801 1.00 72.44 O ATOM 0 H ASP A 62 8.271 15.162 -4.616 1.00 11.12 H new ATOM 0 HA ASP A 62 8.901 17.706 -5.711 1.00 54.44 H new ATOM 0 HB2 ASP A 62 6.685 15.658 -6.254 1.00 34.33 H new ATOM 0 HB3 ASP A 62 6.879 17.113 -7.211 1.00 34.33 H new ATOM 999 N GLY A 63 6.076 17.360 -4.003 1.00 5.34 N ATOM 1000 CA GLY A 63 4.820 18.005 -3.618 1.00 64.34 C ATOM 1001 C GLY A 63 3.766 17.872 -4.718 1.00 20.33 C ATOM 1002 O GLY A 63 2.771 18.604 -4.731 1.00 1.13 O ATOM 0 H GLY A 63 6.190 16.411 -3.647 1.00 5.34 H new ATOM 0 HA2 GLY A 63 4.446 17.557 -2.697 1.00 64.34 H new ATOM 0 HA3 GLY A 63 5.000 19.060 -3.409 1.00 64.34 H new ATOM 1006 N LEU A 64 4.002 16.917 -5.645 1.00 51.31 N ATOM 1007 CA LEU A 64 3.120 16.659 -6.795 1.00 62.24 C ATOM 1008 C LEU A 64 2.092 15.592 -6.360 1.00 42.30 C ATOM 1009 O LEU A 64 1.058 15.954 -5.781 1.00 24.53 O ATOM 1010 CB LEU A 64 3.975 16.218 -8.044 1.00 42.21 C ATOM 1011 CG LEU A 64 3.375 16.401 -9.495 1.00 32.34 C ATOM 1012 CD1 LEU A 64 4.399 15.929 -10.554 1.00 51.01 C ATOM 1013 CD2 LEU A 64 2.021 15.681 -9.693 1.00 32.35 C ATOM 0 H LEU A 64 4.815 16.303 -5.612 1.00 51.31 H new ATOM 0 HA LEU A 64 2.583 17.557 -7.101 1.00 62.24 H new ATOM 0 HB2 LEU A 64 4.916 16.766 -8.007 1.00 42.21 H new ATOM 0 HB3 LEU A 64 4.216 15.162 -7.920 1.00 42.21 H new ATOM 0 HG LEU A 64 3.176 17.465 -9.621 1.00 32.34 H new ATOM 0 HD11 LEU A 64 3.977 16.059 -11.551 1.00 51.01 H new ATOM 0 HD12 LEU A 64 5.311 16.519 -10.466 1.00 51.01 H new ATOM 0 HD13 LEU A 64 4.631 14.876 -10.392 1.00 51.01 H new ATOM 0 HD21 LEU A 64 1.666 15.847 -10.710 1.00 32.35 H new ATOM 0 HD22 LEU A 64 2.149 14.612 -9.524 1.00 32.35 H new ATOM 0 HD23 LEU A 64 1.292 16.075 -8.985 1.00 32.35 H new ATOM 1025 N ILE A 65 2.443 14.287 -6.561 1.00 22.44 N ATOM 1026 CA ILE A 65 1.530 13.134 -6.419 1.00 71.31 C ATOM 1027 C ILE A 65 0.210 13.372 -7.189 1.00 23.51 C ATOM 1028 O ILE A 65 -0.689 14.081 -6.711 1.00 53.42 O ATOM 1029 CB ILE A 65 1.257 12.746 -4.904 1.00 43.03 C ATOM 1030 CG1 ILE A 65 2.608 12.457 -4.160 1.00 64.13 C ATOM 1031 CG2 ILE A 65 0.303 11.525 -4.804 1.00 41.35 C ATOM 1032 CD1 ILE A 65 2.475 12.154 -2.668 1.00 13.22 C ATOM 0 H ILE A 65 3.388 14.013 -6.831 1.00 22.44 H new ATOM 0 HA ILE A 65 2.036 12.278 -6.866 1.00 71.31 H new ATOM 0 HB ILE A 65 0.769 13.592 -4.420 1.00 43.03 H new ATOM 0 HG12 ILE A 65 3.098 11.612 -4.644 1.00 64.13 H new ATOM 0 HG13 ILE A 65 3.264 13.319 -4.283 1.00 64.13 H new ATOM 0 HG21 ILE A 65 0.133 11.281 -3.755 1.00 41.35 H new ATOM 0 HG22 ILE A 65 -0.648 11.766 -5.279 1.00 41.35 H new ATOM 0 HG23 ILE A 65 0.753 10.669 -5.307 1.00 41.35 H new ATOM 0 HD11 ILE A 65 3.462 11.968 -2.245 1.00 13.22 H new ATOM 0 HD12 ILE A 65 2.018 13.005 -2.163 1.00 13.22 H new ATOM 0 HD13 ILE A 65 1.850 11.272 -2.530 1.00 13.22 H new ATOM 1044 N THR A 66 0.118 12.796 -8.398 1.00 31.52 N ATOM 1045 CA THR A 66 -1.082 12.903 -9.242 1.00 10.13 C ATOM 1046 C THR A 66 -2.328 12.334 -8.514 1.00 70.24 C ATOM 1047 O THR A 66 -2.207 11.438 -7.670 1.00 64.43 O ATOM 1048 CB THR A 66 -0.882 12.206 -10.637 1.00 72.12 C ATOM 1049 OG1 THR A 66 -2.103 12.256 -11.394 1.00 62.20 O ATOM 1050 CG2 THR A 66 -0.420 10.747 -10.519 1.00 35.31 C ATOM 0 H THR A 66 0.869 12.246 -8.816 1.00 31.52 H new ATOM 0 HA THR A 66 -1.250 13.964 -9.429 1.00 10.13 H new ATOM 0 HB THR A 66 -0.093 12.758 -11.148 1.00 72.12 H new ATOM 0 HG1 THR A 66 -1.968 11.821 -12.262 1.00 62.20 H new ATOM 0 HG21 THR A 66 -0.300 10.322 -11.515 1.00 35.31 H new ATOM 0 HG22 THR A 66 0.533 10.709 -9.991 1.00 35.31 H new ATOM 0 HG23 THR A 66 -1.164 10.173 -9.967 1.00 35.31 H new ATOM 1058 N THR A 67 -3.510 12.902 -8.815 1.00 23.33 N ATOM 1059 CA THR A 67 -4.794 12.453 -8.237 1.00 4.03 C ATOM 1060 C THR A 67 -5.096 10.988 -8.636 1.00 44.10 C ATOM 1061 O THR A 67 -5.656 10.223 -7.845 1.00 20.51 O ATOM 1062 CB THR A 67 -5.961 13.396 -8.681 1.00 25.34 C ATOM 1063 OG1 THR A 67 -5.586 14.768 -8.449 1.00 55.24 O ATOM 1064 CG2 THR A 67 -7.274 13.100 -7.923 1.00 45.45 C ATOM 0 H THR A 67 -3.604 13.683 -9.464 1.00 23.33 H new ATOM 0 HA THR A 67 -4.710 12.499 -7.151 1.00 4.03 H new ATOM 0 HB THR A 67 -6.138 13.217 -9.742 1.00 25.34 H new ATOM 0 HG1 THR A 67 -6.316 15.359 -8.729 1.00 55.24 H new ATOM 0 HG21 THR A 67 -8.054 13.780 -8.266 1.00 45.45 H new ATOM 0 HG22 THR A 67 -7.580 12.071 -8.114 1.00 45.45 H new ATOM 0 HG23 THR A 67 -7.116 13.239 -6.854 1.00 45.45 H new ATOM 1072 N VAL A 68 -4.635 10.622 -9.849 1.00 64.22 N ATOM 1073 CA VAL A 68 -4.725 9.259 -10.407 1.00 0.11 C ATOM 1074 C VAL A 68 -4.045 8.223 -9.477 1.00 74.41 C ATOM 1075 O VAL A 68 -4.533 7.108 -9.329 1.00 55.01 O ATOM 1076 CB VAL A 68 -4.041 9.215 -11.831 1.00 24.11 C ATOM 1077 CG1 VAL A 68 -4.061 7.797 -12.446 1.00 32.24 C ATOM 1078 CG2 VAL A 68 -4.681 10.248 -12.792 1.00 44.14 C ATOM 0 H VAL A 68 -4.180 11.281 -10.481 1.00 64.22 H new ATOM 0 HA VAL A 68 -5.781 9.002 -10.495 1.00 0.11 H new ATOM 0 HB VAL A 68 -2.995 9.486 -11.688 1.00 24.11 H new ATOM 0 HG11 VAL A 68 -3.580 7.818 -13.424 1.00 32.24 H new ATOM 0 HG12 VAL A 68 -3.525 7.109 -11.792 1.00 32.24 H new ATOM 0 HG13 VAL A 68 -5.093 7.463 -12.556 1.00 32.24 H new ATOM 0 HG21 VAL A 68 -4.190 10.194 -13.764 1.00 44.14 H new ATOM 0 HG22 VAL A 68 -5.742 10.027 -12.909 1.00 44.14 H new ATOM 0 HG23 VAL A 68 -4.562 11.250 -12.380 1.00 44.14 H new ATOM 1088 N TYR A 69 -2.949 8.658 -8.820 1.00 23.53 N ATOM 1089 CA TYR A 69 -2.034 7.786 -8.061 1.00 74.33 C ATOM 1090 C TYR A 69 -2.730 7.119 -6.856 1.00 62.41 C ATOM 1091 O TYR A 69 -2.461 5.956 -6.570 1.00 2.24 O ATOM 1092 CB TYR A 69 -0.805 8.612 -7.596 1.00 34.04 C ATOM 1093 CG TYR A 69 0.415 7.785 -7.201 1.00 24.52 C ATOM 1094 CD1 TYR A 69 1.039 6.952 -8.131 1.00 15.21 C ATOM 1095 CD2 TYR A 69 0.959 7.851 -5.920 1.00 73.04 C ATOM 1096 CE1 TYR A 69 2.153 6.218 -7.797 1.00 0.22 C ATOM 1097 CE2 TYR A 69 2.070 7.118 -5.584 1.00 51.42 C ATOM 1098 CZ TYR A 69 2.666 6.302 -6.523 1.00 45.33 C ATOM 1099 OH TYR A 69 3.790 5.583 -6.194 1.00 61.22 O ATOM 0 H TYR A 69 -2.673 9.640 -8.803 1.00 23.53 H new ATOM 0 HA TYR A 69 -1.708 6.981 -8.720 1.00 74.33 H new ATOM 0 HB2 TYR A 69 -0.520 9.293 -8.398 1.00 34.04 H new ATOM 0 HB3 TYR A 69 -1.100 9.226 -6.745 1.00 34.04 H new ATOM 0 HD1 TYR A 69 0.639 6.883 -9.132 1.00 15.21 H new ATOM 0 HD2 TYR A 69 0.499 8.489 -5.180 1.00 73.04 H new ATOM 0 HE1 TYR A 69 2.623 5.579 -8.530 1.00 0.22 H new ATOM 0 HE2 TYR A 69 2.477 7.180 -4.586 1.00 51.42 H new ATOM 0 HH TYR A 69 3.656 5.145 -5.328 1.00 61.22 H new ATOM 1109 N PHE A 70 -3.636 7.866 -6.177 1.00 3.23 N ATOM 1110 CA PHE A 70 -4.419 7.342 -5.027 1.00 3.12 C ATOM 1111 C PHE A 70 -5.286 6.157 -5.483 1.00 52.20 C ATOM 1112 O PHE A 70 -5.205 5.049 -4.928 1.00 34.41 O ATOM 1113 CB PHE A 70 -5.323 8.453 -4.412 1.00 12.13 C ATOM 1114 CG PHE A 70 -4.565 9.717 -3.998 1.00 23.02 C ATOM 1115 CD1 PHE A 70 -3.723 9.715 -2.882 1.00 43.15 C ATOM 1116 CD2 PHE A 70 -4.680 10.904 -4.731 1.00 43.12 C ATOM 1117 CE1 PHE A 70 -3.026 10.854 -2.516 1.00 74.33 C ATOM 1118 CE2 PHE A 70 -3.980 12.038 -4.364 1.00 11.22 C ATOM 1119 CZ PHE A 70 -3.155 12.014 -3.257 1.00 52.12 C ATOM 0 H PHE A 70 -3.844 8.838 -6.407 1.00 3.23 H new ATOM 0 HA PHE A 70 -3.719 7.008 -4.261 1.00 3.12 H new ATOM 0 HB2 PHE A 70 -6.091 8.724 -5.136 1.00 12.13 H new ATOM 0 HB3 PHE A 70 -5.836 8.048 -3.540 1.00 12.13 H new ATOM 0 HD1 PHE A 70 -3.615 8.813 -2.298 1.00 43.15 H new ATOM 0 HD2 PHE A 70 -5.325 10.934 -5.596 1.00 43.12 H new ATOM 0 HE1 PHE A 70 -2.381 10.836 -1.650 1.00 74.33 H new ATOM 0 HE2 PHE A 70 -4.078 12.944 -4.944 1.00 11.22 H new ATOM 0 HZ PHE A 70 -2.610 12.901 -2.970 1.00 52.12 H new ATOM 1129 N TYR A 71 -6.065 6.410 -6.554 1.00 12.11 N ATOM 1130 CA TYR A 71 -6.972 5.416 -7.153 1.00 5.44 C ATOM 1131 C TYR A 71 -6.191 4.229 -7.723 1.00 43.31 C ATOM 1132 O TYR A 71 -6.652 3.108 -7.643 1.00 72.15 O ATOM 1133 CB TYR A 71 -7.834 6.036 -8.280 1.00 43.35 C ATOM 1134 CG TYR A 71 -8.631 7.272 -7.851 1.00 20.24 C ATOM 1135 CD1 TYR A 71 -9.758 7.162 -7.034 1.00 65.03 C ATOM 1136 CD2 TYR A 71 -8.254 8.549 -8.270 1.00 25.41 C ATOM 1137 CE1 TYR A 71 -10.473 8.286 -6.653 1.00 70.52 C ATOM 1138 CE2 TYR A 71 -8.962 9.669 -7.890 1.00 61.43 C ATOM 1139 CZ TYR A 71 -10.069 9.538 -7.086 1.00 51.21 C ATOM 1140 OH TYR A 71 -10.773 10.667 -6.704 1.00 74.04 O ATOM 0 H TYR A 71 -6.081 7.313 -7.028 1.00 12.11 H new ATOM 0 HA TYR A 71 -7.628 5.070 -6.354 1.00 5.44 H new ATOM 0 HB2 TYR A 71 -7.184 6.307 -9.112 1.00 43.35 H new ATOM 0 HB3 TYR A 71 -8.527 5.280 -8.650 1.00 43.35 H new ATOM 0 HD1 TYR A 71 -10.077 6.188 -6.694 1.00 65.03 H new ATOM 0 HD2 TYR A 71 -7.388 8.662 -8.906 1.00 25.41 H new ATOM 0 HE1 TYR A 71 -11.343 8.186 -6.020 1.00 70.52 H new ATOM 0 HE2 TYR A 71 -8.648 10.647 -8.223 1.00 61.43 H new ATOM 0 HH TYR A 71 -10.354 11.462 -7.095 1.00 74.04 H new ATOM 1150 N GLU A 72 -5.001 4.511 -8.281 1.00 10.33 N ATOM 1151 CA GLU A 72 -4.145 3.500 -8.921 1.00 22.25 C ATOM 1152 C GLU A 72 -3.592 2.523 -7.872 1.00 50.55 C ATOM 1153 O GLU A 72 -3.529 1.306 -8.113 1.00 4.34 O ATOM 1154 CB GLU A 72 -2.992 4.206 -9.688 1.00 21.32 C ATOM 1155 CG GLU A 72 -2.089 3.264 -10.511 1.00 4.34 C ATOM 1156 CD GLU A 72 -2.860 2.458 -11.577 1.00 55.31 C ATOM 1157 OE1 GLU A 72 -3.488 3.079 -12.465 1.00 32.40 O ATOM 1158 OE2 GLU A 72 -2.825 1.207 -11.548 1.00 12.43 O ATOM 0 H GLU A 72 -4.605 5.451 -8.300 1.00 10.33 H new ATOM 0 HA GLU A 72 -4.737 2.924 -9.632 1.00 22.25 H new ATOM 0 HB2 GLU A 72 -3.423 4.950 -10.358 1.00 21.32 H new ATOM 0 HB3 GLU A 72 -2.373 4.744 -8.970 1.00 21.32 H new ATOM 0 HG2 GLU A 72 -1.313 3.852 -11.001 1.00 4.34 H new ATOM 0 HG3 GLU A 72 -1.586 2.572 -9.836 1.00 4.34 H new ATOM 1165 N LEU A 73 -3.210 3.084 -6.705 1.00 3.13 N ATOM 1166 CA LEU A 73 -2.831 2.303 -5.517 1.00 53.41 C ATOM 1167 C LEU A 73 -3.995 1.381 -5.107 1.00 50.42 C ATOM 1168 O LEU A 73 -3.839 0.168 -5.071 1.00 34.54 O ATOM 1169 CB LEU A 73 -2.417 3.248 -4.334 1.00 2.33 C ATOM 1170 CG LEU A 73 -0.880 3.487 -4.120 1.00 52.31 C ATOM 1171 CD1 LEU A 73 -0.167 2.199 -3.644 1.00 34.45 C ATOM 1172 CD2 LEU A 73 -0.199 4.066 -5.389 1.00 35.51 C ATOM 0 H LEU A 73 -3.157 4.093 -6.564 1.00 3.13 H new ATOM 0 HA LEU A 73 -1.966 1.686 -5.762 1.00 53.41 H new ATOM 0 HB2 LEU A 73 -2.892 4.216 -4.491 1.00 2.33 H new ATOM 0 HB3 LEU A 73 -2.828 2.837 -3.412 1.00 2.33 H new ATOM 0 HG LEU A 73 -0.783 4.233 -3.332 1.00 52.31 H new ATOM 0 HD11 LEU A 73 0.895 2.401 -3.506 1.00 34.45 H new ATOM 0 HD12 LEU A 73 -0.600 1.872 -2.699 1.00 34.45 H new ATOM 0 HD13 LEU A 73 -0.293 1.416 -4.391 1.00 34.45 H new ATOM 0 HD21 LEU A 73 0.863 4.215 -5.196 1.00 35.51 H new ATOM 0 HD22 LEU A 73 -0.322 3.369 -6.218 1.00 35.51 H new ATOM 0 HD23 LEU A 73 -0.659 5.020 -5.645 1.00 35.51 H new ATOM 1184 N GLN A 74 -5.172 1.993 -4.872 1.00 24.34 N ATOM 1185 CA GLN A 74 -6.400 1.276 -4.447 1.00 23.24 C ATOM 1186 C GLN A 74 -6.761 0.103 -5.395 1.00 23.22 C ATOM 1187 O GLN A 74 -6.995 -1.030 -4.938 1.00 3.30 O ATOM 1188 CB GLN A 74 -7.570 2.289 -4.359 1.00 10.33 C ATOM 1189 CG GLN A 74 -7.368 3.366 -3.270 1.00 70.23 C ATOM 1190 CD GLN A 74 -8.251 4.608 -3.428 1.00 33.14 C ATOM 1191 OE1 GLN A 74 -9.353 4.557 -3.968 1.00 60.34 O ATOM 1192 NE2 GLN A 74 -7.762 5.739 -2.947 1.00 74.13 N ATOM 0 H GLN A 74 -5.303 3.000 -4.970 1.00 24.34 H new ATOM 0 HA GLN A 74 -6.214 0.834 -3.468 1.00 23.24 H new ATOM 0 HB2 GLN A 74 -7.691 2.778 -5.326 1.00 10.33 H new ATOM 0 HB3 GLN A 74 -8.495 1.748 -4.158 1.00 10.33 H new ATOM 0 HG2 GLN A 74 -7.564 2.919 -2.295 1.00 70.23 H new ATOM 0 HG3 GLN A 74 -6.323 3.677 -3.274 1.00 70.23 H new ATOM 0 HE21 GLN A 74 -6.843 5.750 -2.504 1.00 74.13 H new ATOM 0 HE22 GLN A 74 -8.304 6.600 -3.019 1.00 74.13 H new ATOM 1201 N GLU A 75 -6.729 0.397 -6.713 1.00 42.21 N ATOM 1202 CA GLU A 75 -7.051 -0.557 -7.788 1.00 44.12 C ATOM 1203 C GLU A 75 -6.073 -1.742 -7.791 1.00 73.44 C ATOM 1204 O GLU A 75 -6.515 -2.883 -7.680 1.00 33.43 O ATOM 1205 CB GLU A 75 -7.058 0.152 -9.179 1.00 14.30 C ATOM 1206 CG GLU A 75 -8.275 1.073 -9.423 1.00 1.01 C ATOM 1207 CD GLU A 75 -8.231 1.784 -10.785 1.00 42.25 C ATOM 1208 OE1 GLU A 75 -8.544 1.139 -11.819 1.00 35.22 O ATOM 1209 OE2 GLU A 75 -7.874 2.980 -10.836 1.00 13.34 O ATOM 0 H GLU A 75 -6.474 1.321 -7.062 1.00 42.21 H new ATOM 0 HA GLU A 75 -8.051 -0.946 -7.596 1.00 44.12 H new ATOM 0 HB2 GLU A 75 -6.147 0.742 -9.277 1.00 14.30 H new ATOM 0 HB3 GLU A 75 -7.031 -0.608 -9.960 1.00 14.30 H new ATOM 0 HG2 GLU A 75 -9.189 0.482 -9.358 1.00 1.01 H new ATOM 0 HG3 GLU A 75 -8.322 1.821 -8.631 1.00 1.01 H new ATOM 1216 N ASN A 76 -4.748 -1.452 -7.857 1.00 21.51 N ATOM 1217 CA ASN A 76 -3.704 -2.477 -7.949 1.00 14.32 C ATOM 1218 C ASN A 76 -3.717 -3.393 -6.706 1.00 2.22 C ATOM 1219 O ASN A 76 -3.882 -4.613 -6.821 1.00 34.31 O ATOM 1220 CB ASN A 76 -2.319 -1.798 -8.081 1.00 33.41 C ATOM 1221 CG ASN A 76 -1.166 -2.799 -8.230 1.00 35.42 C ATOM 1222 OD1 ASN A 76 -1.301 -3.846 -8.865 1.00 25.23 O ATOM 1223 ND2 ASN A 76 -0.045 -2.515 -7.603 1.00 74.42 N ATOM 0 H ASN A 76 -4.385 -0.499 -7.847 1.00 21.51 H new ATOM 0 HA ASN A 76 -3.900 -3.090 -8.829 1.00 14.32 H new ATOM 0 HB2 ASN A 76 -2.328 -1.133 -8.945 1.00 33.41 H new ATOM 0 HB3 ASN A 76 -2.141 -1.177 -7.203 1.00 33.41 H new ATOM 0 HD21 ASN A 76 0.737 -3.169 -7.636 1.00 74.42 H new ATOM 0 HD22 ASN A 76 0.042 -1.641 -7.084 1.00 74.42 H new ATOM 1230 N LEU A 77 -3.602 -2.757 -5.521 1.00 72.34 N ATOM 1231 CA LEU A 77 -3.429 -3.456 -4.243 1.00 61.22 C ATOM 1232 C LEU A 77 -4.670 -4.273 -3.885 1.00 22.43 C ATOM 1233 O LEU A 77 -4.534 -5.402 -3.400 1.00 74.23 O ATOM 1234 CB LEU A 77 -3.108 -2.472 -3.081 1.00 31.21 C ATOM 1235 CG LEU A 77 -1.928 -1.473 -3.298 1.00 11.41 C ATOM 1236 CD1 LEU A 77 -1.532 -0.804 -1.969 1.00 12.55 C ATOM 1237 CD2 LEU A 77 -0.720 -2.126 -4.008 1.00 13.32 C ATOM 0 H LEU A 77 -3.627 -1.741 -5.430 1.00 72.34 H new ATOM 0 HA LEU A 77 -2.581 -4.129 -4.372 1.00 61.22 H new ATOM 0 HB2 LEU A 77 -4.007 -1.893 -2.871 1.00 31.21 H new ATOM 0 HB3 LEU A 77 -2.893 -3.061 -2.189 1.00 31.21 H new ATOM 0 HG LEU A 77 -2.280 -0.693 -3.973 1.00 11.41 H new ATOM 0 HD11 LEU A 77 -0.708 -0.112 -2.142 1.00 12.55 H new ATOM 0 HD12 LEU A 77 -2.386 -0.259 -1.567 1.00 12.55 H new ATOM 0 HD13 LEU A 77 -1.221 -1.567 -1.256 1.00 12.55 H new ATOM 0 HD21 LEU A 77 0.071 -1.387 -4.133 1.00 13.32 H new ATOM 0 HD22 LEU A 77 -0.349 -2.956 -3.406 1.00 13.32 H new ATOM 0 HD23 LEU A 77 -1.029 -2.496 -4.986 1.00 13.32 H new ATOM 1249 N GLU A 78 -5.887 -3.708 -4.118 1.00 22.10 N ATOM 1250 CA GLU A 78 -7.129 -4.426 -3.783 1.00 44.31 C ATOM 1251 C GLU A 78 -7.497 -5.444 -4.884 1.00 4.22 C ATOM 1252 O GLU A 78 -8.233 -6.395 -4.616 1.00 3.14 O ATOM 1253 CB GLU A 78 -8.320 -3.480 -3.441 1.00 53.13 C ATOM 1254 CG GLU A 78 -9.415 -4.185 -2.599 1.00 34.25 C ATOM 1255 CD GLU A 78 -10.517 -3.263 -2.071 1.00 64.14 C ATOM 1256 OE1 GLU A 78 -11.485 -3.014 -2.813 1.00 25.04 O ATOM 1257 OE2 GLU A 78 -10.433 -2.808 -0.899 1.00 22.33 O ATOM 0 H GLU A 78 -6.024 -2.783 -4.525 1.00 22.10 H new ATOM 0 HA GLU A 78 -6.926 -4.979 -2.866 1.00 44.31 H new ATOM 0 HB2 GLU A 78 -7.947 -2.614 -2.894 1.00 53.13 H new ATOM 0 HB3 GLU A 78 -8.761 -3.107 -4.366 1.00 53.13 H new ATOM 0 HG2 GLU A 78 -9.874 -4.965 -3.207 1.00 34.25 H new ATOM 0 HG3 GLU A 78 -8.939 -4.680 -1.752 1.00 34.25 H new ATOM 1264 N LYS A 79 -6.953 -5.271 -6.113 1.00 33.24 N ATOM 1265 CA LYS A 79 -7.021 -6.324 -7.149 1.00 75.21 C ATOM 1266 C LYS A 79 -6.252 -7.551 -6.640 1.00 35.33 C ATOM 1267 O LYS A 79 -6.744 -8.676 -6.689 1.00 3.13 O ATOM 1268 CB LYS A 79 -6.402 -5.858 -8.499 1.00 63.24 C ATOM 1269 CG LYS A 79 -6.756 -6.769 -9.706 1.00 53.44 C ATOM 1270 CD LYS A 79 -5.763 -6.642 -10.895 1.00 61.40 C ATOM 1271 CE LYS A 79 -4.453 -7.420 -10.658 1.00 52.32 C ATOM 1272 NZ LYS A 79 -4.713 -8.881 -10.494 1.00 55.10 N ATOM 0 H LYS A 79 -6.469 -4.423 -6.406 1.00 33.24 H new ATOM 0 HA LYS A 79 -8.069 -6.559 -7.332 1.00 75.21 H new ATOM 0 HB2 LYS A 79 -6.741 -4.844 -8.711 1.00 63.24 H new ATOM 0 HB3 LYS A 79 -5.318 -5.816 -8.394 1.00 63.24 H new ATOM 0 HG2 LYS A 79 -6.779 -7.806 -9.373 1.00 53.44 H new ATOM 0 HG3 LYS A 79 -7.759 -6.523 -10.054 1.00 53.44 H new ATOM 0 HD2 LYS A 79 -6.240 -7.010 -11.803 1.00 61.40 H new ATOM 0 HD3 LYS A 79 -5.532 -5.590 -11.060 1.00 61.40 H new ATOM 0 HE2 LYS A 79 -3.776 -7.261 -11.497 1.00 52.32 H new ATOM 0 HE3 LYS A 79 -3.954 -7.035 -9.769 1.00 52.32 H new ATOM 0 HZ1 LYS A 79 -4.003 -9.422 -11.028 1.00 55.10 H new ATOM 0 HZ2 LYS A 79 -4.655 -9.133 -9.487 1.00 55.10 H new ATOM 0 HZ3 LYS A 79 -5.662 -9.107 -10.853 1.00 55.10 H new ATOM 1286 N LEU A 80 -5.056 -7.275 -6.105 1.00 21.11 N ATOM 1287 CA LEU A 80 -4.173 -8.278 -5.507 1.00 13.20 C ATOM 1288 C LEU A 80 -4.743 -8.816 -4.179 1.00 15.54 C ATOM 1289 O LEU A 80 -4.434 -9.939 -3.777 1.00 71.10 O ATOM 1290 CB LEU A 80 -2.767 -7.671 -5.312 1.00 61.55 C ATOM 1291 CG LEU A 80 -2.024 -7.260 -6.619 1.00 42.33 C ATOM 1292 CD1 LEU A 80 -0.675 -6.580 -6.306 1.00 13.45 C ATOM 1293 CD2 LEU A 80 -1.847 -8.472 -7.561 1.00 52.21 C ATOM 0 H LEU A 80 -4.670 -6.331 -6.076 1.00 21.11 H new ATOM 0 HA LEU A 80 -4.101 -9.130 -6.183 1.00 13.20 H new ATOM 0 HB2 LEU A 80 -2.856 -6.792 -4.674 1.00 61.55 H new ATOM 0 HB3 LEU A 80 -2.150 -8.393 -4.776 1.00 61.55 H new ATOM 0 HG LEU A 80 -2.641 -6.528 -7.140 1.00 42.33 H new ATOM 0 HD11 LEU A 80 -0.181 -6.305 -7.238 1.00 13.45 H new ATOM 0 HD12 LEU A 80 -0.849 -5.684 -5.710 1.00 13.45 H new ATOM 0 HD13 LEU A 80 -0.041 -7.269 -5.749 1.00 13.45 H new ATOM 0 HD21 LEU A 80 -1.326 -8.157 -8.465 1.00 52.21 H new ATOM 0 HD22 LEU A 80 -1.265 -9.243 -7.056 1.00 52.21 H new ATOM 0 HD23 LEU A 80 -2.825 -8.872 -7.827 1.00 52.21 H new ATOM 1305 N LEU A 81 -5.576 -8.014 -3.499 1.00 63.11 N ATOM 1306 CA LEU A 81 -6.363 -8.496 -2.353 1.00 14.13 C ATOM 1307 C LEU A 81 -7.438 -9.491 -2.825 1.00 71.10 C ATOM 1308 O LEU A 81 -7.738 -10.448 -2.124 1.00 63.43 O ATOM 1309 CB LEU A 81 -7.027 -7.330 -1.581 1.00 71.42 C ATOM 1310 CG LEU A 81 -7.945 -7.754 -0.393 1.00 33.24 C ATOM 1311 CD1 LEU A 81 -7.174 -8.555 0.675 1.00 4.43 C ATOM 1312 CD2 LEU A 81 -8.685 -6.551 0.213 1.00 65.33 C ATOM 0 H LEU A 81 -5.722 -7.030 -3.722 1.00 63.11 H new ATOM 0 HA LEU A 81 -5.676 -8.999 -1.673 1.00 14.13 H new ATOM 0 HB2 LEU A 81 -6.243 -6.677 -1.198 1.00 71.42 H new ATOM 0 HB3 LEU A 81 -7.618 -6.741 -2.283 1.00 71.42 H new ATOM 0 HG LEU A 81 -8.704 -8.423 -0.800 1.00 33.24 H new ATOM 0 HD11 LEU A 81 -7.852 -8.830 1.483 1.00 4.43 H new ATOM 0 HD12 LEU A 81 -6.761 -9.458 0.225 1.00 4.43 H new ATOM 0 HD13 LEU A 81 -6.363 -7.945 1.073 1.00 4.43 H new ATOM 0 HD21 LEU A 81 -9.314 -6.888 1.037 1.00 65.33 H new ATOM 0 HD22 LEU A 81 -7.960 -5.826 0.583 1.00 65.33 H new ATOM 0 HD23 LEU A 81 -9.307 -6.084 -0.551 1.00 65.33 H new ATOM 1324 N GLN A 82 -8.022 -9.238 -4.009 1.00 4.13 N ATOM 1325 CA GLN A 82 -8.981 -10.175 -4.639 1.00 42.04 C ATOM 1326 C GLN A 82 -8.257 -11.387 -5.263 1.00 32.41 C ATOM 1327 O GLN A 82 -8.895 -12.405 -5.522 1.00 61.24 O ATOM 1328 CB GLN A 82 -9.901 -9.443 -5.671 1.00 42.14 C ATOM 1329 CG GLN A 82 -11.213 -8.885 -5.066 1.00 45.12 C ATOM 1330 CD GLN A 82 -11.009 -7.743 -4.064 1.00 42.44 C ATOM 1331 OE1 GLN A 82 -10.815 -7.966 -2.867 1.00 71.11 O ATOM 1332 NE2 GLN A 82 -11.080 -6.512 -4.533 1.00 31.32 N ATOM 0 H GLN A 82 -7.849 -8.393 -4.553 1.00 4.13 H new ATOM 0 HA GLN A 82 -9.630 -10.562 -3.854 1.00 42.04 H new ATOM 0 HB2 GLN A 82 -9.343 -8.622 -6.120 1.00 42.14 H new ATOM 0 HB3 GLN A 82 -10.150 -10.136 -6.475 1.00 42.14 H new ATOM 0 HG2 GLN A 82 -11.852 -8.533 -5.876 1.00 45.12 H new ATOM 0 HG3 GLN A 82 -11.745 -9.697 -4.570 1.00 45.12 H new ATOM 0 HE21 GLN A 82 -11.241 -6.354 -5.528 1.00 31.32 H new ATOM 0 HE22 GLN A 82 -10.974 -5.719 -3.901 1.00 31.32 H new ATOM 1341 N ASP A 83 -6.939 -11.257 -5.525 1.00 10.42 N ATOM 1342 CA ASP A 83 -6.059 -12.419 -5.804 1.00 1.44 C ATOM 1343 C ASP A 83 -5.938 -13.270 -4.521 1.00 53.12 C ATOM 1344 O ASP A 83 -6.083 -14.486 -4.573 1.00 13.21 O ATOM 1345 CB ASP A 83 -4.627 -11.984 -6.272 1.00 63.10 C ATOM 1346 CG ASP A 83 -4.526 -11.572 -7.758 1.00 32.55 C ATOM 1347 OD1 ASP A 83 -4.761 -10.385 -8.091 1.00 12.22 O ATOM 1348 OD2 ASP A 83 -4.201 -12.435 -8.603 1.00 25.13 O ATOM 0 H ASP A 83 -6.457 -10.358 -5.550 1.00 10.42 H new ATOM 0 HA ASP A 83 -6.508 -12.992 -6.615 1.00 1.44 H new ATOM 0 HB2 ASP A 83 -4.297 -11.148 -5.655 1.00 63.10 H new ATOM 0 HB3 ASP A 83 -3.936 -12.807 -6.090 1.00 63.10 H new ATOM 1353 N ALA A 84 -5.678 -12.589 -3.375 1.00 34.04 N ATOM 1354 CA ALA A 84 -5.536 -13.220 -2.039 1.00 22.51 C ATOM 1355 C ALA A 84 -6.840 -13.919 -1.569 1.00 45.25 C ATOM 1356 O ALA A 84 -6.798 -15.052 -1.061 1.00 15.24 O ATOM 1357 CB ALA A 84 -5.087 -12.160 -1.009 1.00 51.23 C ATOM 0 H ALA A 84 -5.560 -11.576 -3.354 1.00 34.04 H new ATOM 0 HA ALA A 84 -4.777 -13.998 -2.121 1.00 22.51 H new ATOM 0 HB1 ALA A 84 -4.984 -12.626 -0.029 1.00 51.23 H new ATOM 0 HB2 ALA A 84 -4.129 -11.739 -1.314 1.00 51.23 H new ATOM 0 HB3 ALA A 84 -5.832 -11.366 -0.956 1.00 51.23 H new ATOM 1363 N TYR A 85 -7.985 -13.223 -1.744 1.00 71.23 N ATOM 1364 CA TYR A 85 -9.327 -13.710 -1.354 1.00 44.34 C ATOM 1365 C TYR A 85 -9.756 -14.901 -2.215 1.00 60.15 C ATOM 1366 O TYR A 85 -10.198 -15.936 -1.691 1.00 2.41 O ATOM 1367 CB TYR A 85 -10.394 -12.567 -1.458 1.00 41.33 C ATOM 1368 CG TYR A 85 -10.424 -11.579 -0.277 1.00 2.14 C ATOM 1369 CD1 TYR A 85 -10.123 -11.999 1.023 1.00 63.00 C ATOM 1370 CD2 TYR A 85 -10.811 -10.245 -0.446 1.00 32.43 C ATOM 1371 CE1 TYR A 85 -10.192 -11.133 2.096 1.00 53.43 C ATOM 1372 CE2 TYR A 85 -10.880 -9.376 0.628 1.00 62.10 C ATOM 1373 CZ TYR A 85 -10.569 -9.825 1.900 1.00 21.33 C ATOM 1374 OH TYR A 85 -10.616 -8.961 2.978 1.00 64.44 O ATOM 0 H TYR A 85 -8.003 -12.295 -2.166 1.00 71.23 H new ATOM 0 HA TYR A 85 -9.264 -14.036 -0.316 1.00 44.34 H new ATOM 0 HB2 TYR A 85 -10.211 -12.006 -2.374 1.00 41.33 H new ATOM 0 HB3 TYR A 85 -11.380 -13.022 -1.554 1.00 41.33 H new ATOM 0 HD1 TYR A 85 -9.830 -13.025 1.191 1.00 63.00 H new ATOM 0 HD2 TYR A 85 -11.061 -9.887 -1.434 1.00 32.43 H new ATOM 0 HE1 TYR A 85 -9.950 -11.483 3.089 1.00 53.43 H new ATOM 0 HE2 TYR A 85 -11.176 -8.349 0.474 1.00 62.10 H new ATOM 0 HH TYR A 85 -10.899 -8.073 2.674 1.00 64.44 H new ATOM 1384 N GLU A 86 -9.592 -14.754 -3.541 1.00 44.20 N ATOM 1385 CA GLU A 86 -10.029 -15.758 -4.526 1.00 12.13 C ATOM 1386 C GLU A 86 -8.893 -16.787 -4.798 1.00 23.11 C ATOM 1387 O GLU A 86 -8.711 -17.268 -5.923 1.00 52.21 O ATOM 1388 CB GLU A 86 -10.484 -15.039 -5.838 1.00 23.32 C ATOM 1389 CG GLU A 86 -11.431 -15.870 -6.734 1.00 62.23 C ATOM 1390 CD GLU A 86 -12.830 -16.063 -6.117 1.00 62.34 C ATOM 1391 OE1 GLU A 86 -13.025 -17.007 -5.318 1.00 33.34 O ATOM 1392 OE2 GLU A 86 -13.734 -15.256 -6.406 1.00 42.42 O ATOM 0 H GLU A 86 -9.152 -13.935 -3.960 1.00 44.20 H new ATOM 0 HA GLU A 86 -10.878 -16.313 -4.128 1.00 12.13 H new ATOM 0 HB2 GLU A 86 -10.983 -14.107 -5.571 1.00 23.32 H new ATOM 0 HB3 GLU A 86 -9.599 -14.773 -6.416 1.00 23.32 H new ATOM 0 HG2 GLU A 86 -11.532 -15.378 -7.701 1.00 62.23 H new ATOM 0 HG3 GLU A 86 -10.984 -16.847 -6.918 1.00 62.23 H new ATOM 1399 N ARG A 87 -8.140 -17.122 -3.740 1.00 24.04 N ATOM 1400 CA ARG A 87 -7.057 -18.109 -3.783 1.00 43.25 C ATOM 1401 C ARG A 87 -7.379 -19.187 -2.729 1.00 21.20 C ATOM 1402 O ARG A 87 -7.829 -20.283 -3.083 1.00 10.11 O ATOM 1403 CB ARG A 87 -5.688 -17.402 -3.543 1.00 22.25 C ATOM 1404 CG ARG A 87 -4.431 -18.265 -3.786 1.00 62.42 C ATOM 1405 CD ARG A 87 -4.300 -18.791 -5.245 1.00 64.33 C ATOM 1406 NE ARG A 87 -4.962 -20.101 -5.438 1.00 54.35 N ATOM 1407 CZ ARG A 87 -4.713 -20.955 -6.445 1.00 54.44 C ATOM 1408 NH1 ARG A 87 -3.822 -20.662 -7.396 1.00 3.21 N ATOM 1409 NH2 ARG A 87 -5.347 -22.115 -6.494 1.00 53.24 N ATOM 0 H ARG A 87 -8.270 -16.707 -2.817 1.00 24.04 H new ATOM 0 HA ARG A 87 -6.979 -18.590 -4.758 1.00 43.25 H new ATOM 0 HB2 ARG A 87 -5.635 -16.527 -4.190 1.00 22.25 H new ATOM 0 HB3 ARG A 87 -5.663 -17.040 -2.515 1.00 22.25 H new ATOM 0 HG2 ARG A 87 -3.546 -17.678 -3.541 1.00 62.42 H new ATOM 0 HG3 ARG A 87 -4.448 -19.115 -3.104 1.00 62.42 H new ATOM 0 HD2 ARG A 87 -4.735 -18.063 -5.930 1.00 64.33 H new ATOM 0 HD3 ARG A 87 -3.245 -18.880 -5.502 1.00 64.33 H new ATOM 0 HE ARG A 87 -5.664 -20.378 -4.751 1.00 54.35 H new ATOM 0 HH11 ARG A 87 -3.316 -19.777 -7.366 1.00 3.21 H new ATOM 0 HH12 ARG A 87 -3.647 -21.324 -8.152 1.00 3.21 H new ATOM 0 HH21 ARG A 87 -6.022 -22.358 -5.769 1.00 53.24 H new ATOM 0 HH22 ARG A 87 -5.161 -22.766 -7.257 1.00 53.24 H new ATOM 1423 N SER A 88 -7.223 -18.838 -1.437 1.00 62.20 N ATOM 1424 CA SER A 88 -7.595 -19.709 -0.294 1.00 12.42 C ATOM 1425 C SER A 88 -7.810 -18.825 0.950 1.00 72.23 C ATOM 1426 O SER A 88 -7.083 -17.840 1.139 1.00 42.52 O ATOM 1427 CB SER A 88 -6.498 -20.780 0.002 1.00 44.31 C ATOM 1428 OG SER A 88 -6.268 -21.640 -1.105 1.00 60.54 O ATOM 0 H SER A 88 -6.834 -17.940 -1.151 1.00 62.20 H new ATOM 0 HA SER A 88 -8.510 -20.243 -0.549 1.00 12.42 H new ATOM 0 HB2 SER A 88 -5.567 -20.279 0.269 1.00 44.31 H new ATOM 0 HB3 SER A 88 -6.798 -21.375 0.865 1.00 44.31 H new ATOM 0 HG SER A 88 -5.574 -22.292 -0.874 1.00 60.54 H new ATOM 1434 N GLU A 89 -8.817 -19.170 1.786 1.00 71.13 N ATOM 1435 CA GLU A 89 -9.067 -18.482 3.068 1.00 13.34 C ATOM 1436 C GLU A 89 -8.058 -18.977 4.138 1.00 43.30 C ATOM 1437 O GLU A 89 -8.271 -19.976 4.836 1.00 14.15 O ATOM 1438 CB GLU A 89 -10.558 -18.640 3.528 1.00 71.31 C ATOM 1439 CG GLU A 89 -11.107 -20.088 3.565 1.00 44.11 C ATOM 1440 CD GLU A 89 -12.512 -20.193 4.189 1.00 71.42 C ATOM 1441 OE1 GLU A 89 -13.489 -19.714 3.567 1.00 10.55 O ATOM 1442 OE2 GLU A 89 -12.648 -20.756 5.305 1.00 40.45 O ATOM 0 H GLU A 89 -9.472 -19.927 1.591 1.00 71.13 H new ATOM 0 HA GLU A 89 -8.909 -17.412 2.930 1.00 13.34 H new ATOM 0 HB2 GLU A 89 -10.658 -18.209 4.524 1.00 71.31 H new ATOM 0 HB3 GLU A 89 -11.188 -18.051 2.861 1.00 71.31 H new ATOM 0 HG2 GLU A 89 -11.138 -20.483 2.550 1.00 44.11 H new ATOM 0 HG3 GLU A 89 -10.418 -20.716 4.131 1.00 44.11 H new ATOM 1449 N SER A 90 -6.905 -18.289 4.191 1.00 53.42 N ATOM 1450 CA SER A 90 -5.810 -18.592 5.130 1.00 2.11 C ATOM 1451 C SER A 90 -5.390 -17.327 5.902 1.00 54.33 C ATOM 1452 O SER A 90 -5.844 -16.214 5.598 1.00 12.42 O ATOM 1453 CB SER A 90 -4.617 -19.204 4.347 1.00 2.43 C ATOM 1454 OG SER A 90 -4.982 -20.430 3.700 1.00 3.14 O ATOM 0 H SER A 90 -6.704 -17.499 3.578 1.00 53.42 H new ATOM 0 HA SER A 90 -6.153 -19.319 5.866 1.00 2.11 H new ATOM 0 HB2 SER A 90 -4.266 -18.490 3.602 1.00 2.43 H new ATOM 0 HB3 SER A 90 -3.788 -19.386 5.031 1.00 2.43 H new ATOM 0 HG SER A 90 -4.209 -20.787 3.215 1.00 3.14 H new ATOM 1460 N LEU A 91 -4.517 -17.536 6.901 1.00 64.51 N ATOM 1461 CA LEU A 91 -4.053 -16.503 7.853 1.00 0.42 C ATOM 1462 C LEU A 91 -3.288 -15.364 7.139 1.00 13.31 C ATOM 1463 O LEU A 91 -3.467 -14.193 7.468 1.00 60.00 O ATOM 1464 CB LEU A 91 -3.184 -17.202 8.959 1.00 34.30 C ATOM 1465 CG LEU A 91 -2.773 -16.365 10.236 1.00 14.15 C ATOM 1466 CD1 LEU A 91 -2.499 -17.301 11.436 1.00 62.51 C ATOM 1467 CD2 LEU A 91 -1.531 -15.471 9.986 1.00 44.03 C ATOM 0 H LEU A 91 -4.101 -18.451 7.077 1.00 64.51 H new ATOM 0 HA LEU A 91 -4.913 -16.026 8.323 1.00 0.42 H new ATOM 0 HB2 LEU A 91 -3.728 -18.083 9.301 1.00 34.30 H new ATOM 0 HB3 LEU A 91 -2.268 -17.557 8.486 1.00 34.30 H new ATOM 0 HG LEU A 91 -3.615 -15.711 10.462 1.00 14.15 H new ATOM 0 HD11 LEU A 91 -2.218 -16.706 12.305 1.00 62.51 H new ATOM 0 HD12 LEU A 91 -3.398 -17.873 11.664 1.00 62.51 H new ATOM 0 HD13 LEU A 91 -1.688 -17.985 11.186 1.00 62.51 H new ATOM 0 HD21 LEU A 91 -1.292 -14.918 10.894 1.00 44.03 H new ATOM 0 HD22 LEU A 91 -0.683 -16.096 9.708 1.00 44.03 H new ATOM 0 HD23 LEU A 91 -1.744 -14.769 9.180 1.00 44.03 H new ATOM 1479 N GLU A 92 -2.469 -15.726 6.137 1.00 61.32 N ATOM 1480 CA GLU A 92 -1.532 -14.791 5.473 1.00 52.24 C ATOM 1481 C GLU A 92 -2.262 -13.798 4.538 1.00 32.45 C ATOM 1482 O GLU A 92 -1.662 -12.811 4.085 1.00 5.12 O ATOM 1483 CB GLU A 92 -0.445 -15.575 4.684 1.00 71.51 C ATOM 1484 CG GLU A 92 0.484 -16.493 5.529 1.00 5.52 C ATOM 1485 CD GLU A 92 -0.228 -17.678 6.222 1.00 60.24 C ATOM 1486 OE1 GLU A 92 -0.973 -18.426 5.535 1.00 31.31 O ATOM 1487 OE2 GLU A 92 -0.095 -17.834 7.456 1.00 43.24 O ATOM 0 H GLU A 92 -2.435 -16.674 5.761 1.00 61.32 H new ATOM 0 HA GLU A 92 -1.052 -14.207 6.258 1.00 52.24 H new ATOM 0 HB2 GLU A 92 -0.942 -16.188 3.932 1.00 71.51 H new ATOM 0 HB3 GLU A 92 0.176 -14.856 4.149 1.00 71.51 H new ATOM 0 HG2 GLU A 92 1.268 -16.887 4.882 1.00 5.52 H new ATOM 0 HG3 GLU A 92 0.974 -15.887 6.291 1.00 5.52 H new ATOM 1494 N VAL A 93 -3.554 -14.072 4.247 1.00 35.32 N ATOM 1495 CA VAL A 93 -4.431 -13.154 3.487 1.00 2.43 C ATOM 1496 C VAL A 93 -4.740 -11.888 4.325 1.00 34.13 C ATOM 1497 O VAL A 93 -4.903 -10.793 3.773 1.00 4.35 O ATOM 1498 CB VAL A 93 -5.773 -13.869 3.055 1.00 52.21 C ATOM 1499 CG1 VAL A 93 -6.742 -12.912 2.310 1.00 34.23 C ATOM 1500 CG2 VAL A 93 -5.464 -15.121 2.201 1.00 71.24 C ATOM 0 H VAL A 93 -4.017 -14.935 4.532 1.00 35.32 H new ATOM 0 HA VAL A 93 -3.902 -12.858 2.581 1.00 2.43 H new ATOM 0 HB VAL A 93 -6.283 -14.181 3.967 1.00 52.21 H new ATOM 0 HG11 VAL A 93 -7.648 -13.453 2.035 1.00 34.23 H new ATOM 0 HG12 VAL A 93 -7.001 -12.077 2.961 1.00 34.23 H new ATOM 0 HG13 VAL A 93 -6.259 -12.533 1.409 1.00 34.23 H new ATOM 0 HG21 VAL A 93 -6.398 -15.603 1.911 1.00 71.24 H new ATOM 0 HG22 VAL A 93 -4.915 -14.825 1.307 1.00 71.24 H new ATOM 0 HG23 VAL A 93 -4.861 -15.818 2.783 1.00 71.24 H new ATOM 1510 N ALA A 94 -4.761 -12.056 5.668 1.00 55.33 N ATOM 1511 CA ALA A 94 -5.067 -10.975 6.622 1.00 35.34 C ATOM 1512 C ALA A 94 -4.033 -9.840 6.554 1.00 61.35 C ATOM 1513 O ALA A 94 -4.387 -8.688 6.800 1.00 43.35 O ATOM 1514 CB ALA A 94 -5.182 -11.525 8.048 1.00 2.15 C ATOM 0 H ALA A 94 -4.565 -12.950 6.118 1.00 55.33 H new ATOM 0 HA ALA A 94 -6.030 -10.552 6.336 1.00 35.34 H new ATOM 0 HB1 ALA A 94 -5.408 -10.710 8.735 1.00 2.15 H new ATOM 0 HB2 ALA A 94 -5.980 -12.266 8.089 1.00 2.15 H new ATOM 0 HB3 ALA A 94 -4.239 -11.991 8.335 1.00 2.15 H new ATOM 1520 N PHE A 95 -2.766 -10.177 6.193 1.00 43.12 N ATOM 1521 CA PHE A 95 -1.715 -9.167 5.942 1.00 55.12 C ATOM 1522 C PHE A 95 -2.178 -8.199 4.844 1.00 61.14 C ATOM 1523 O PHE A 95 -2.197 -6.985 5.047 1.00 42.33 O ATOM 1524 CB PHE A 95 -0.361 -9.833 5.534 1.00 35.15 C ATOM 1525 CG PHE A 95 0.723 -8.821 5.116 1.00 51.13 C ATOM 1526 CD1 PHE A 95 1.383 -8.036 6.069 1.00 1.03 C ATOM 1527 CD2 PHE A 95 1.047 -8.621 3.768 1.00 51.23 C ATOM 1528 CE1 PHE A 95 2.329 -7.096 5.684 1.00 20.23 C ATOM 1529 CE2 PHE A 95 1.995 -7.690 3.391 1.00 21.32 C ATOM 1530 CZ PHE A 95 2.632 -6.924 4.345 1.00 62.14 C ATOM 0 H PHE A 95 -2.453 -11.140 6.071 1.00 43.12 H new ATOM 0 HA PHE A 95 -1.547 -8.618 6.868 1.00 55.12 H new ATOM 0 HB2 PHE A 95 0.010 -10.425 6.371 1.00 35.15 H new ATOM 0 HB3 PHE A 95 -0.539 -10.523 4.709 1.00 35.15 H new ATOM 0 HD1 PHE A 95 1.153 -8.163 7.117 1.00 1.03 H new ATOM 0 HD2 PHE A 95 0.547 -9.205 3.010 1.00 51.23 H new ATOM 0 HE1 PHE A 95 2.829 -6.498 6.431 1.00 20.23 H new ATOM 0 HE2 PHE A 95 2.238 -7.561 2.347 1.00 21.32 H new ATOM 0 HZ PHE A 95 3.367 -6.191 4.047 1.00 62.14 H new ATOM 1540 N VAL A 96 -2.597 -8.780 3.709 1.00 50.23 N ATOM 1541 CA VAL A 96 -2.988 -8.025 2.514 1.00 44.43 C ATOM 1542 C VAL A 96 -4.239 -7.167 2.813 1.00 75.14 C ATOM 1543 O VAL A 96 -4.274 -5.991 2.461 1.00 33.12 O ATOM 1544 CB VAL A 96 -3.243 -8.992 1.296 1.00 61.04 C ATOM 1545 CG1 VAL A 96 -3.525 -8.200 0.000 1.00 13.33 C ATOM 1546 CG2 VAL A 96 -2.061 -9.983 1.106 1.00 4.44 C ATOM 0 H VAL A 96 -2.673 -9.791 3.597 1.00 50.23 H new ATOM 0 HA VAL A 96 -2.170 -7.359 2.241 1.00 44.43 H new ATOM 0 HB VAL A 96 -4.133 -9.580 1.522 1.00 61.04 H new ATOM 0 HG11 VAL A 96 -3.697 -8.896 -0.821 1.00 13.33 H new ATOM 0 HG12 VAL A 96 -4.409 -7.577 0.139 1.00 13.33 H new ATOM 0 HG13 VAL A 96 -2.669 -7.567 -0.233 1.00 13.33 H new ATOM 0 HG21 VAL A 96 -2.267 -10.637 0.258 1.00 4.44 H new ATOM 0 HG22 VAL A 96 -1.144 -9.424 0.919 1.00 4.44 H new ATOM 0 HG23 VAL A 96 -1.942 -10.584 2.007 1.00 4.44 H new ATOM 1556 N THR A 97 -5.220 -7.767 3.526 1.00 55.44 N ATOM 1557 CA THR A 97 -6.465 -7.096 3.956 1.00 52.33 C ATOM 1558 C THR A 97 -6.160 -5.820 4.775 1.00 4.22 C ATOM 1559 O THR A 97 -6.584 -4.709 4.403 1.00 23.41 O ATOM 1560 CB THR A 97 -7.349 -8.074 4.807 1.00 14.23 C ATOM 1561 OG1 THR A 97 -7.621 -9.267 4.051 1.00 72.52 O ATOM 1562 CG2 THR A 97 -8.686 -7.431 5.244 1.00 34.41 C ATOM 0 H THR A 97 -5.167 -8.742 3.821 1.00 55.44 H new ATOM 0 HA THR A 97 -7.012 -6.806 3.059 1.00 52.33 H new ATOM 0 HB THR A 97 -6.786 -8.315 5.709 1.00 14.23 H new ATOM 0 HG1 THR A 97 -8.528 -9.221 3.683 1.00 72.52 H new ATOM 0 HG21 THR A 97 -9.260 -8.149 5.830 1.00 34.41 H new ATOM 0 HG22 THR A 97 -8.484 -6.547 5.849 1.00 34.41 H new ATOM 0 HG23 THR A 97 -9.257 -7.143 4.361 1.00 34.41 H new ATOM 1570 N GLN A 98 -5.377 -6.005 5.856 1.00 43.33 N ATOM 1571 CA GLN A 98 -4.991 -4.924 6.776 1.00 42.54 C ATOM 1572 C GLN A 98 -4.233 -3.815 6.035 1.00 34.45 C ATOM 1573 O GLN A 98 -4.532 -2.650 6.218 1.00 63.01 O ATOM 1574 CB GLN A 98 -4.128 -5.475 7.940 1.00 41.35 C ATOM 1575 CG GLN A 98 -4.883 -6.441 8.882 1.00 51.35 C ATOM 1576 CD GLN A 98 -3.980 -7.140 9.909 1.00 61.45 C ATOM 1577 OE1 GLN A 98 -2.962 -6.600 10.337 1.00 31.10 O ATOM 1578 NE2 GLN A 98 -4.352 -8.344 10.316 1.00 73.31 N ATOM 0 H GLN A 98 -4.994 -6.914 6.114 1.00 43.33 H new ATOM 0 HA GLN A 98 -5.905 -4.498 7.190 1.00 42.54 H new ATOM 0 HB2 GLN A 98 -3.263 -5.992 7.524 1.00 41.35 H new ATOM 0 HB3 GLN A 98 -3.748 -4.637 8.525 1.00 41.35 H new ATOM 0 HG2 GLN A 98 -5.657 -5.886 9.412 1.00 51.35 H new ATOM 0 HG3 GLN A 98 -5.388 -7.198 8.282 1.00 51.35 H new ATOM 0 HE21 GLN A 98 -5.202 -8.768 9.944 1.00 73.31 H new ATOM 0 HE22 GLN A 98 -3.789 -8.847 11.002 1.00 73.31 H new ATOM 1587 N LEU A 99 -3.291 -4.220 5.165 1.00 45.21 N ATOM 1588 CA LEU A 99 -2.446 -3.290 4.382 1.00 63.31 C ATOM 1589 C LEU A 99 -3.286 -2.418 3.439 1.00 14.14 C ATOM 1590 O LEU A 99 -3.076 -1.208 3.369 1.00 42.34 O ATOM 1591 CB LEU A 99 -1.347 -4.072 3.600 1.00 45.35 C ATOM 1592 CG LEU A 99 -0.014 -4.426 4.393 1.00 31.30 C ATOM 1593 CD1 LEU A 99 1.160 -3.478 4.027 1.00 74.32 C ATOM 1594 CD2 LEU A 99 -0.217 -4.470 5.945 1.00 22.21 C ATOM 0 H LEU A 99 -3.091 -5.203 4.982 1.00 45.21 H new ATOM 0 HA LEU A 99 -1.952 -2.619 5.084 1.00 63.31 H new ATOM 0 HB2 LEU A 99 -1.785 -5.003 3.239 1.00 45.35 H new ATOM 0 HB3 LEU A 99 -1.074 -3.487 2.722 1.00 45.35 H new ATOM 0 HG LEU A 99 0.251 -5.433 4.071 1.00 31.30 H new ATOM 0 HD11 LEU A 99 2.047 -3.761 4.595 1.00 74.32 H new ATOM 0 HD12 LEU A 99 1.372 -3.556 2.961 1.00 74.32 H new ATOM 0 HD13 LEU A 99 0.887 -2.451 4.269 1.00 74.32 H new ATOM 0 HD21 LEU A 99 0.728 -4.716 6.429 1.00 22.21 H new ATOM 0 HD22 LEU A 99 -0.561 -3.497 6.295 1.00 22.21 H new ATOM 0 HD23 LEU A 99 -0.960 -5.228 6.193 1.00 22.21 H new ATOM 1606 N VAL A 100 -4.242 -3.047 2.738 1.00 44.22 N ATOM 1607 CA VAL A 100 -5.131 -2.340 1.797 1.00 3.22 C ATOM 1608 C VAL A 100 -6.030 -1.331 2.548 1.00 50.11 C ATOM 1609 O VAL A 100 -6.008 -0.160 2.203 1.00 21.45 O ATOM 1610 CB VAL A 100 -6.002 -3.331 0.935 1.00 12.23 C ATOM 1611 CG1 VAL A 100 -7.048 -2.579 0.076 1.00 21.44 C ATOM 1612 CG2 VAL A 100 -5.103 -4.222 0.025 1.00 13.21 C ATOM 0 H VAL A 100 -4.421 -4.049 2.804 1.00 44.22 H new ATOM 0 HA VAL A 100 -4.492 -1.793 1.104 1.00 3.22 H new ATOM 0 HB VAL A 100 -6.538 -3.973 1.634 1.00 12.23 H new ATOM 0 HG11 VAL A 100 -7.628 -3.298 -0.503 1.00 21.44 H new ATOM 0 HG12 VAL A 100 -7.716 -2.015 0.727 1.00 21.44 H new ATOM 0 HG13 VAL A 100 -6.538 -1.894 -0.602 1.00 21.44 H new ATOM 0 HG21 VAL A 100 -5.730 -4.896 -0.558 1.00 13.21 H new ATOM 0 HG22 VAL A 100 -4.526 -3.588 -0.649 1.00 13.21 H new ATOM 0 HG23 VAL A 100 -4.423 -4.806 0.645 1.00 13.21 H new ATOM 1622 N LYS A 101 -6.767 -1.791 3.595 1.00 34.32 N ATOM 1623 CA LYS A 101 -7.702 -0.919 4.359 1.00 11.14 C ATOM 1624 C LYS A 101 -6.955 0.244 5.080 1.00 23.20 C ATOM 1625 O LYS A 101 -7.411 1.401 5.079 1.00 72.54 O ATOM 1626 CB LYS A 101 -8.534 -1.741 5.406 1.00 75.21 C ATOM 1627 CG LYS A 101 -9.845 -2.443 4.899 1.00 3.25 C ATOM 1628 CD LYS A 101 -9.666 -3.875 4.309 1.00 14.21 C ATOM 1629 CE LYS A 101 -9.329 -3.905 2.809 1.00 21.01 C ATOM 1630 NZ LYS A 101 -10.467 -3.458 1.966 1.00 2.43 N ATOM 0 H LYS A 101 -6.732 -2.755 3.928 1.00 34.32 H new ATOM 0 HA LYS A 101 -8.386 -0.488 3.628 1.00 11.14 H new ATOM 0 HB2 LYS A 101 -7.883 -2.507 5.826 1.00 75.21 H new ATOM 0 HB3 LYS A 101 -8.805 -1.071 6.222 1.00 75.21 H new ATOM 0 HG2 LYS A 101 -10.549 -2.499 5.729 1.00 3.25 H new ATOM 0 HG3 LYS A 101 -10.301 -1.811 4.137 1.00 3.25 H new ATOM 0 HD2 LYS A 101 -8.874 -4.385 4.857 1.00 14.21 H new ATOM 0 HD3 LYS A 101 -10.583 -4.441 4.475 1.00 14.21 H new ATOM 0 HE2 LYS A 101 -8.467 -3.266 2.620 1.00 21.01 H new ATOM 0 HE3 LYS A 101 -9.044 -4.917 2.523 1.00 21.01 H new ATOM 0 HZ1 LYS A 101 -10.181 -3.463 0.966 1.00 2.43 H new ATOM 0 HZ2 LYS A 101 -11.272 -4.103 2.099 1.00 2.43 H new ATOM 0 HZ3 LYS A 101 -10.746 -2.495 2.242 1.00 2.43 H new ATOM 1644 N LYS A 102 -5.792 -0.078 5.668 1.00 45.40 N ATOM 1645 CA LYS A 102 -5.015 0.861 6.493 1.00 22.55 C ATOM 1646 C LYS A 102 -4.338 1.913 5.604 1.00 50.44 C ATOM 1647 O LYS A 102 -4.438 3.119 5.866 1.00 51.22 O ATOM 1648 CB LYS A 102 -3.983 0.083 7.342 1.00 4.11 C ATOM 1649 CG LYS A 102 -3.290 0.894 8.452 1.00 42.12 C ATOM 1650 CD LYS A 102 -2.516 -0.020 9.431 1.00 52.44 C ATOM 1651 CE LYS A 102 -1.830 0.777 10.550 1.00 33.11 C ATOM 1652 NZ LYS A 102 -2.804 1.568 11.359 1.00 34.24 N ATOM 0 H LYS A 102 -5.363 -0.999 5.584 1.00 45.40 H new ATOM 0 HA LYS A 102 -5.684 1.386 7.174 1.00 22.55 H new ATOM 0 HB2 LYS A 102 -4.484 -0.770 7.799 1.00 4.11 H new ATOM 0 HB3 LYS A 102 -3.218 -0.316 6.676 1.00 4.11 H new ATOM 0 HG2 LYS A 102 -2.603 1.611 8.003 1.00 42.12 H new ATOM 0 HG3 LYS A 102 -4.035 1.468 9.002 1.00 42.12 H new ATOM 0 HD2 LYS A 102 -3.203 -0.743 9.871 1.00 52.44 H new ATOM 0 HD3 LYS A 102 -1.766 -0.588 8.880 1.00 52.44 H new ATOM 0 HE2 LYS A 102 -1.290 0.091 11.203 1.00 33.11 H new ATOM 0 HE3 LYS A 102 -1.092 1.450 10.114 1.00 33.11 H new ATOM 0 HZ1 LYS A 102 -2.322 1.966 12.190 1.00 34.24 H new ATOM 0 HZ2 LYS A 102 -3.190 2.340 10.779 1.00 34.24 H new ATOM 0 HZ3 LYS A 102 -3.579 0.949 11.672 1.00 34.24 H new ATOM 1666 N LEU A 103 -3.690 1.460 4.515 1.00 41.05 N ATOM 1667 CA LEU A 103 -3.079 2.386 3.551 1.00 55.11 C ATOM 1668 C LEU A 103 -4.166 3.191 2.818 1.00 13.11 C ATOM 1669 O LEU A 103 -3.908 4.319 2.412 1.00 44.54 O ATOM 1670 CB LEU A 103 -2.171 1.666 2.528 1.00 71.34 C ATOM 1671 CG LEU A 103 -1.324 2.613 1.605 1.00 73.53 C ATOM 1672 CD1 LEU A 103 -0.409 3.548 2.435 1.00 74.11 C ATOM 1673 CD2 LEU A 103 -0.514 1.814 0.563 1.00 71.43 C ATOM 0 H LEU A 103 -3.578 0.473 4.285 1.00 41.05 H new ATOM 0 HA LEU A 103 -2.445 3.064 4.122 1.00 55.11 H new ATOM 0 HB2 LEU A 103 -1.491 1.009 3.069 1.00 71.34 H new ATOM 0 HB3 LEU A 103 -2.793 1.031 1.897 1.00 71.34 H new ATOM 0 HG LEU A 103 -2.026 3.243 1.059 1.00 73.53 H new ATOM 0 HD11 LEU A 103 0.162 4.189 1.763 1.00 74.11 H new ATOM 0 HD12 LEU A 103 -1.021 4.166 3.093 1.00 74.11 H new ATOM 0 HD13 LEU A 103 0.276 2.948 3.034 1.00 74.11 H new ATOM 0 HD21 LEU A 103 0.060 2.502 -0.058 1.00 71.43 H new ATOM 0 HD22 LEU A 103 0.167 1.134 1.075 1.00 71.43 H new ATOM 0 HD23 LEU A 103 -1.195 1.240 -0.066 1.00 71.43 H new ATOM 1685 N LEU A 104 -5.372 2.596 2.667 1.00 41.33 N ATOM 1686 CA LEU A 104 -6.552 3.291 2.111 1.00 61.10 C ATOM 1687 C LEU A 104 -6.900 4.504 2.985 1.00 11.22 C ATOM 1688 O LEU A 104 -7.089 5.592 2.456 1.00 72.02 O ATOM 1689 CB LEU A 104 -7.761 2.298 1.981 1.00 74.42 C ATOM 1690 CG LEU A 104 -9.128 2.807 1.365 1.00 55.50 C ATOM 1691 CD1 LEU A 104 -9.984 3.614 2.371 1.00 72.23 C ATOM 1692 CD2 LEU A 104 -8.889 3.610 0.071 1.00 41.11 C ATOM 0 H LEU A 104 -5.552 1.626 2.926 1.00 41.33 H new ATOM 0 HA LEU A 104 -6.322 3.654 1.109 1.00 61.10 H new ATOM 0 HB2 LEU A 104 -7.426 1.454 1.379 1.00 74.42 H new ATOM 0 HB3 LEU A 104 -7.976 1.913 2.978 1.00 74.42 H new ATOM 0 HG LEU A 104 -9.704 1.915 1.118 1.00 55.50 H new ATOM 0 HD11 LEU A 104 -10.907 3.934 1.888 1.00 72.23 H new ATOM 0 HD12 LEU A 104 -10.222 2.988 3.231 1.00 72.23 H new ATOM 0 HD13 LEU A 104 -9.426 4.489 2.704 1.00 72.23 H new ATOM 0 HD21 LEU A 104 -9.845 3.947 -0.330 1.00 41.11 H new ATOM 0 HD22 LEU A 104 -8.262 4.475 0.290 1.00 41.11 H new ATOM 0 HD23 LEU A 104 -8.391 2.977 -0.663 1.00 41.11 H new ATOM 1704 N ILE A 105 -7.013 4.314 4.322 1.00 71.33 N ATOM 1705 CA ILE A 105 -7.356 5.444 5.228 1.00 33.34 C ATOM 1706 C ILE A 105 -6.178 6.437 5.411 1.00 62.54 C ATOM 1707 O ILE A 105 -6.414 7.593 5.775 1.00 41.54 O ATOM 1708 CB ILE A 105 -7.942 4.990 6.628 1.00 72.40 C ATOM 1709 CG1 ILE A 105 -6.943 4.079 7.409 1.00 52.40 C ATOM 1710 CG2 ILE A 105 -9.319 4.296 6.444 1.00 71.41 C ATOM 1711 CD1 ILE A 105 -7.434 3.579 8.764 1.00 52.33 C ATOM 0 H ILE A 105 -6.877 3.418 4.789 1.00 71.33 H new ATOM 0 HA ILE A 105 -8.162 5.971 4.717 1.00 33.34 H new ATOM 0 HB ILE A 105 -8.090 5.885 7.232 1.00 72.40 H new ATOM 0 HG12 ILE A 105 -6.703 3.216 6.788 1.00 52.40 H new ATOM 0 HG13 ILE A 105 -6.015 4.631 7.559 1.00 52.40 H new ATOM 0 HG21 ILE A 105 -9.706 3.991 7.416 1.00 71.41 H new ATOM 0 HG22 ILE A 105 -10.017 4.991 5.977 1.00 71.41 H new ATOM 0 HG23 ILE A 105 -9.202 3.418 5.809 1.00 71.41 H new ATOM 0 HD11 ILE A 105 -6.666 2.956 9.222 1.00 52.33 H new ATOM 0 HD12 ILE A 105 -7.645 4.430 9.411 1.00 52.33 H new ATOM 0 HD13 ILE A 105 -8.343 2.993 8.628 1.00 52.33 H new ATOM 1723 N ILE A 106 -4.919 6.000 5.150 1.00 2.01 N ATOM 1724 CA ILE A 106 -3.760 6.930 5.100 1.00 24.04 C ATOM 1725 C ILE A 106 -3.849 7.854 3.845 1.00 13.34 C ATOM 1726 O ILE A 106 -3.943 9.084 3.983 1.00 70.33 O ATOM 1727 CB ILE A 106 -2.366 6.177 5.135 1.00 61.21 C ATOM 1728 CG1 ILE A 106 -2.234 5.333 6.442 1.00 54.32 C ATOM 1729 CG2 ILE A 106 -1.172 7.166 5.011 1.00 32.32 C ATOM 1730 CD1 ILE A 106 -0.965 4.502 6.536 1.00 12.13 C ATOM 0 H ILE A 106 -4.682 5.024 4.973 1.00 2.01 H new ATOM 0 HA ILE A 106 -3.812 7.542 6.000 1.00 24.04 H new ATOM 0 HB ILE A 106 -2.334 5.509 4.274 1.00 61.21 H new ATOM 0 HG12 ILE A 106 -2.276 6.006 7.299 1.00 54.32 H new ATOM 0 HG13 ILE A 106 -3.094 4.668 6.517 1.00 54.32 H new ATOM 0 HG21 ILE A 106 -0.235 6.610 5.039 1.00 32.32 H new ATOM 0 HG22 ILE A 106 -1.245 7.707 4.068 1.00 32.32 H new ATOM 0 HG23 ILE A 106 -1.199 7.874 5.839 1.00 32.32 H new ATOM 0 HD11 ILE A 106 -0.960 3.950 7.476 1.00 12.13 H new ATOM 0 HD12 ILE A 106 -0.927 3.800 5.703 1.00 12.13 H new ATOM 0 HD13 ILE A 106 -0.096 5.159 6.497 1.00 12.13 H new ATOM 1742 N ILE A 107 -3.872 7.247 2.634 1.00 74.13 N ATOM 1743 CA ILE A 107 -3.848 7.993 1.337 1.00 53.41 C ATOM 1744 C ILE A 107 -5.203 8.655 1.023 1.00 52.30 C ATOM 1745 O ILE A 107 -5.275 9.551 0.165 1.00 4.21 O ATOM 1746 CB ILE A 107 -3.438 7.076 0.116 1.00 13.42 C ATOM 1747 CG1 ILE A 107 -4.534 5.989 -0.196 1.00 2.32 C ATOM 1748 CG2 ILE A 107 -2.055 6.425 0.359 1.00 42.41 C ATOM 1749 CD1 ILE A 107 -4.218 5.044 -1.359 1.00 55.14 C ATOM 0 H ILE A 107 -3.907 6.234 2.521 1.00 74.13 H new ATOM 0 HA ILE A 107 -3.090 8.766 1.467 1.00 53.41 H new ATOM 0 HB ILE A 107 -3.364 7.715 -0.764 1.00 13.42 H new ATOM 0 HG12 ILE A 107 -4.693 5.391 0.701 1.00 2.32 H new ATOM 0 HG13 ILE A 107 -5.474 6.498 -0.410 1.00 2.32 H new ATOM 0 HG21 ILE A 107 -1.793 5.798 -0.494 1.00 42.41 H new ATOM 0 HG22 ILE A 107 -1.303 7.204 0.482 1.00 42.41 H new ATOM 0 HG23 ILE A 107 -2.094 5.813 1.260 1.00 42.41 H new ATOM 0 HD11 ILE A 107 -5.038 4.337 -1.487 1.00 55.14 H new ATOM 0 HD12 ILE A 107 -4.092 5.623 -2.274 1.00 55.14 H new ATOM 0 HD13 ILE A 107 -3.299 4.499 -1.145 1.00 55.14 H new ATOM 1761 N SER A 108 -6.256 8.144 1.690 1.00 71.21 N ATOM 1762 CA SER A 108 -7.643 8.641 1.605 1.00 73.14 C ATOM 1763 C SER A 108 -8.308 8.260 0.255 1.00 3.44 C ATOM 1764 O SER A 108 -7.815 7.357 -0.440 1.00 54.40 O ATOM 1765 CB SER A 108 -7.712 10.157 1.929 1.00 44.03 C ATOM 1766 OG SER A 108 -7.151 10.404 3.206 1.00 65.01 O ATOM 0 H SER A 108 -6.162 7.349 2.322 1.00 71.21 H new ATOM 0 HA SER A 108 -8.236 8.140 2.371 1.00 73.14 H new ATOM 0 HB2 SER A 108 -7.174 10.725 1.170 1.00 44.03 H new ATOM 0 HB3 SER A 108 -8.748 10.496 1.906 1.00 44.03 H new ATOM 0 HG SER A 108 -7.196 11.363 3.403 1.00 65.01 H new