USER MOD reduce.3.24.130724 H: found=0, std=0, add=696, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 698 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 84 MET CE :methyl 167:sc= -2.78! (180deg=-3.28!) USER MOD Set 1.2: B 84 MET CE :methyl -169:sc= -1.5 (180deg=-2.12) USER MOD Single : A 75 THR OG1 : rot 37:sc= 0.023 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ -124:sc= 1.05 (180deg=-0.0765) USER MOD Single : A 91 THR OG1 : rot 84:sc= 0.671 USER MOD Single : A 92 TYR OH : rot 180:sc= -1.12 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00345) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl -138:sc= -0.284 (180deg=-1.48) USER MOD Single : A 103 LYS NZ :NH3+ 136:sc= -0.176 (180deg=-2.53!) USER MOD Single : A 108 HIS : no HD1:sc= -0.302 X(o=-0.3,f=-0.65) USER MOD Single : B 75 THR OG1 : rot 29:sc= 0.133 USER MOD Single : B 79 SER OG : rot 180:sc= 0 USER MOD Single : B 86 LYS NZ :NH3+ -174:sc= 0.445 (180deg=0.33) USER MOD Single : B 91 THR OG1 : rot 92:sc= 0.947 USER MOD Single : B 92 TYR OH : rot 152:sc= -1.36 USER MOD Single : B 95 SER OG : rot 180:sc= 0 USER MOD Single : B 96 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0234) USER MOD Single : B 97 SER OG : rot 180:sc= 0 USER MOD Single : B 99 MET CE :methyl -156:sc= -0.154 (180deg=-0.758) USER MOD Single : B 103 LYS NZ :NH3+ -171:sc= 0.487 (180deg=0.43) USER MOD Single : B 108 HIS : no HD1:sc= -0.112 K(o=-0.11,f=-0.83) USER MOD Single : B 116 CYS SG : rot 78:sc= 1.16 USER MOD ----------------------------------------------------------------- ATOM 241 N THR A 75 -12.258 -4.525 2.219 1.00 25.22 N ATOM 242 CA THR A 75 -12.363 -3.381 3.141 1.00 12.41 C ATOM 243 C THR A 75 -11.150 -3.369 4.095 1.00 64.22 C ATOM 244 O THR A 75 -10.618 -2.300 4.427 1.00 53.43 O ATOM 245 CB THR A 75 -13.697 -3.450 3.947 1.00 13.20 C ATOM 246 OG1 THR A 75 -14.805 -3.316 3.043 1.00 24.52 O ATOM 247 CG2 THR A 75 -13.800 -2.371 5.030 1.00 44.51 C ATOM 0 HA THR A 75 -12.366 -2.457 2.563 1.00 12.41 H new ATOM 0 HB THR A 75 -13.716 -4.416 4.451 1.00 13.20 H new ATOM 0 HG1 THR A 75 -14.599 -3.777 2.203 1.00 24.52 H new ATOM 0 HG21 THR A 75 -14.750 -2.472 5.555 1.00 44.51 H new ATOM 0 HG22 THR A 75 -12.980 -2.487 5.738 1.00 44.51 H new ATOM 0 HG23 THR A 75 -13.744 -1.385 4.568 1.00 44.51 H new ATOM 255 N ASP A 76 -10.719 -4.582 4.504 1.00 33.31 N ATOM 256 CA ASP A 76 -9.501 -4.784 5.311 1.00 13.41 C ATOM 257 C ASP A 76 -8.286 -4.175 4.601 1.00 4.44 C ATOM 258 O ASP A 76 -7.450 -3.552 5.243 1.00 23.01 O ATOM 259 CB ASP A 76 -9.262 -6.289 5.573 1.00 24.44 C ATOM 260 CG ASP A 76 -8.054 -6.565 6.494 1.00 70.43 C ATOM 261 OD1 ASP A 76 -8.204 -6.420 7.721 1.00 51.43 O ATOM 262 OD2 ASP A 76 -6.961 -6.949 6.006 1.00 10.23 O ATOM 0 H ASP A 76 -11.209 -5.449 4.282 1.00 33.31 H new ATOM 0 HA ASP A 76 -9.639 -4.283 6.269 1.00 13.41 H new ATOM 0 HB2 ASP A 76 -10.158 -6.719 6.021 1.00 24.44 H new ATOM 0 HB3 ASP A 76 -9.107 -6.796 4.621 1.00 24.44 H new ATOM 267 N LEU A 77 -8.242 -4.326 3.257 1.00 52.30 N ATOM 268 CA LEU A 77 -7.171 -3.760 2.423 1.00 10.32 C ATOM 269 C LEU A 77 -7.160 -2.224 2.494 1.00 71.23 C ATOM 270 O LEU A 77 -6.089 -1.634 2.607 1.00 72.15 O ATOM 271 CB LEU A 77 -7.299 -4.251 0.956 1.00 63.33 C ATOM 272 CG LEU A 77 -6.218 -3.728 -0.052 1.00 43.31 C ATOM 273 CD1 LEU A 77 -4.788 -3.906 0.489 1.00 41.03 C ATOM 274 CD2 LEU A 77 -6.367 -4.420 -1.417 1.00 13.43 C ATOM 0 H LEU A 77 -8.946 -4.841 2.729 1.00 52.30 H new ATOM 0 HA LEU A 77 -6.218 -4.113 2.817 1.00 10.32 H new ATOM 0 HB2 LEU A 77 -7.267 -5.341 0.957 1.00 63.33 H new ATOM 0 HB3 LEU A 77 -8.282 -3.962 0.584 1.00 63.33 H new ATOM 0 HG LEU A 77 -6.388 -2.659 -0.179 1.00 43.31 H new ATOM 0 HD11 LEU A 77 -4.073 -3.530 -0.243 1.00 41.03 H new ATOM 0 HD12 LEU A 77 -4.680 -3.351 1.421 1.00 41.03 H new ATOM 0 HD13 LEU A 77 -4.597 -4.963 0.672 1.00 41.03 H new ATOM 0 HD21 LEU A 77 -5.607 -4.042 -2.101 1.00 13.43 H new ATOM 0 HD22 LEU A 77 -6.243 -5.496 -1.295 1.00 13.43 H new ATOM 0 HD23 LEU A 77 -7.357 -4.213 -1.824 1.00 13.43 H new ATOM 286 N LEU A 78 -8.355 -1.597 2.479 1.00 44.25 N ATOM 287 CA LEU A 78 -8.497 -0.125 2.598 1.00 62.42 C ATOM 288 C LEU A 78 -7.890 0.379 3.925 1.00 13.21 C ATOM 289 O LEU A 78 -7.293 1.469 3.980 1.00 41.43 O ATOM 290 CB LEU A 78 -9.991 0.279 2.525 1.00 10.04 C ATOM 291 CG LEU A 78 -10.276 1.811 2.481 1.00 31.33 C ATOM 292 CD1 LEU A 78 -9.704 2.457 1.203 1.00 24.33 C ATOM 293 CD2 LEU A 78 -11.776 2.096 2.633 1.00 55.04 C ATOM 0 H LEU A 78 -9.243 -2.089 2.385 1.00 44.25 H new ATOM 0 HA LEU A 78 -7.959 0.334 1.769 1.00 62.42 H new ATOM 0 HB2 LEU A 78 -10.429 -0.179 1.638 1.00 10.04 H new ATOM 0 HB3 LEU A 78 -10.505 -0.143 3.389 1.00 10.04 H new ATOM 0 HG LEU A 78 -9.764 2.268 3.328 1.00 31.33 H new ATOM 0 HD11 LEU A 78 -9.922 3.525 1.207 1.00 24.33 H new ATOM 0 HD12 LEU A 78 -8.625 2.307 1.171 1.00 24.33 H new ATOM 0 HD13 LEU A 78 -10.161 1.997 0.327 1.00 24.33 H new ATOM 0 HD21 LEU A 78 -11.947 3.172 2.599 1.00 55.04 H new ATOM 0 HD22 LEU A 78 -12.322 1.616 1.821 1.00 55.04 H new ATOM 0 HD23 LEU A 78 -12.126 1.703 3.587 1.00 55.04 H new ATOM 305 N SER A 79 -8.055 -0.444 4.988 1.00 23.40 N ATOM 306 CA SER A 79 -7.430 -0.201 6.287 1.00 10.23 C ATOM 307 C SER A 79 -5.899 -0.271 6.164 1.00 72.12 C ATOM 308 O SER A 79 -5.217 0.697 6.500 1.00 15.03 O ATOM 309 CB SER A 79 -7.938 -1.212 7.333 1.00 71.32 C ATOM 310 OG SER A 79 -9.347 -1.156 7.456 1.00 53.40 O ATOM 0 H SER A 79 -8.625 -1.289 4.958 1.00 23.40 H new ATOM 0 HA SER A 79 -7.705 0.799 6.621 1.00 10.23 H new ATOM 0 HB2 SER A 79 -7.635 -2.219 7.047 1.00 71.32 H new ATOM 0 HB3 SER A 79 -7.477 -1.003 8.299 1.00 71.32 H new ATOM 0 HG SER A 79 -9.643 -1.808 8.125 1.00 53.40 H new ATOM 316 N VAL A 80 -5.397 -1.399 5.588 1.00 50.42 N ATOM 317 CA VAL A 80 -3.951 -1.690 5.448 1.00 2.23 C ATOM 318 C VAL A 80 -3.208 -0.537 4.753 1.00 61.13 C ATOM 319 O VAL A 80 -2.110 -0.172 5.184 1.00 55.22 O ATOM 320 CB VAL A 80 -3.668 -3.039 4.669 1.00 55.00 C ATOM 321 CG1 VAL A 80 -2.149 -3.314 4.536 1.00 74.22 C ATOM 322 CG2 VAL A 80 -4.374 -4.230 5.351 1.00 31.02 C ATOM 0 H VAL A 80 -5.993 -2.134 5.207 1.00 50.42 H new ATOM 0 HA VAL A 80 -3.575 -1.803 6.465 1.00 2.23 H new ATOM 0 HB VAL A 80 -4.076 -2.924 3.665 1.00 55.00 H new ATOM 0 HG11 VAL A 80 -1.994 -4.248 3.996 1.00 74.22 H new ATOM 0 HG12 VAL A 80 -1.678 -2.497 3.990 1.00 74.22 H new ATOM 0 HG13 VAL A 80 -1.705 -3.391 5.528 1.00 74.22 H new ATOM 0 HG21 VAL A 80 -4.163 -5.144 4.796 1.00 31.02 H new ATOM 0 HG22 VAL A 80 -4.008 -4.333 6.373 1.00 31.02 H new ATOM 0 HG23 VAL A 80 -5.450 -4.055 5.367 1.00 31.02 H new ATOM 332 N ILE A 81 -3.840 0.039 3.703 1.00 55.42 N ATOM 333 CA ILE A 81 -3.307 1.208 2.972 1.00 74.22 C ATOM 334 C ILE A 81 -2.929 2.339 3.948 1.00 73.15 C ATOM 335 O ILE A 81 -1.780 2.785 3.994 1.00 31.42 O ATOM 336 CB ILE A 81 -4.314 1.777 1.898 1.00 25.02 C ATOM 337 CG1 ILE A 81 -4.806 0.668 0.909 1.00 10.00 C ATOM 338 CG2 ILE A 81 -3.664 2.950 1.132 1.00 33.21 C ATOM 339 CD1 ILE A 81 -3.709 -0.094 0.180 1.00 53.42 C ATOM 0 H ILE A 81 -4.733 -0.295 3.341 1.00 55.42 H new ATOM 0 HA ILE A 81 -2.422 0.851 2.446 1.00 74.22 H new ATOM 0 HB ILE A 81 -5.194 2.143 2.427 1.00 25.02 H new ATOM 0 HG12 ILE A 81 -5.413 -0.047 1.465 1.00 10.00 H new ATOM 0 HG13 ILE A 81 -5.457 1.130 0.167 1.00 10.00 H new ATOM 0 HG21 ILE A 81 -4.366 3.336 0.393 1.00 33.21 H new ATOM 0 HG22 ILE A 81 -3.403 3.743 1.833 1.00 33.21 H new ATOM 0 HG23 ILE A 81 -2.763 2.601 0.628 1.00 33.21 H new ATOM 0 HD11 ILE A 81 -4.158 -0.837 -0.479 1.00 53.42 H new ATOM 0 HD12 ILE A 81 -3.114 0.602 -0.411 1.00 53.42 H new ATOM 0 HD13 ILE A 81 -3.068 -0.593 0.907 1.00 53.42 H new ATOM 351 N GLU A 82 -3.908 2.731 4.770 1.00 2.42 N ATOM 352 CA GLU A 82 -3.760 3.824 5.741 1.00 53.43 C ATOM 353 C GLU A 82 -2.801 3.432 6.891 1.00 44.43 C ATOM 354 O GLU A 82 -2.091 4.286 7.441 1.00 71.11 O ATOM 355 CB GLU A 82 -5.155 4.216 6.277 1.00 23.32 C ATOM 356 CG GLU A 82 -5.150 5.400 7.251 1.00 13.34 C ATOM 357 CD GLU A 82 -6.552 5.823 7.667 1.00 21.21 C ATOM 358 OE1 GLU A 82 -7.083 5.273 8.652 1.00 43.52 O ATOM 359 OE2 GLU A 82 -7.141 6.688 6.990 1.00 53.34 O ATOM 0 H GLU A 82 -4.831 2.297 4.782 1.00 2.42 H new ATOM 0 HA GLU A 82 -3.315 4.686 5.244 1.00 53.43 H new ATOM 0 HB2 GLU A 82 -5.800 4.459 5.433 1.00 23.32 H new ATOM 0 HB3 GLU A 82 -5.595 3.353 6.776 1.00 23.32 H new ATOM 0 HG2 GLU A 82 -4.577 5.133 8.139 1.00 13.34 H new ATOM 0 HG3 GLU A 82 -4.642 6.245 6.787 1.00 13.34 H new ATOM 366 N GLU A 83 -2.755 2.124 7.208 1.00 70.31 N ATOM 367 CA GLU A 83 -1.872 1.586 8.260 1.00 33.34 C ATOM 368 C GLU A 83 -0.412 1.514 7.784 1.00 61.53 C ATOM 369 O GLU A 83 0.502 1.429 8.601 1.00 22.25 O ATOM 370 CB GLU A 83 -2.357 0.198 8.751 1.00 20.05 C ATOM 371 CG GLU A 83 -3.810 0.164 9.279 1.00 51.14 C ATOM 372 CD GLU A 83 -4.125 1.273 10.298 1.00 5.24 C ATOM 373 OE1 GLU A 83 -3.770 1.124 11.482 1.00 4.43 O ATOM 374 OE2 GLU A 83 -4.711 2.308 9.914 1.00 21.11 O ATOM 0 H GLU A 83 -3.324 1.415 6.746 1.00 70.31 H new ATOM 0 HA GLU A 83 -1.918 2.276 9.103 1.00 33.34 H new ATOM 0 HB2 GLU A 83 -2.268 -0.513 7.930 1.00 20.05 H new ATOM 0 HB3 GLU A 83 -1.690 -0.144 9.543 1.00 20.05 H new ATOM 0 HG2 GLU A 83 -4.495 0.252 8.436 1.00 51.14 H new ATOM 0 HG3 GLU A 83 -3.996 -0.805 9.741 1.00 51.14 H new ATOM 381 N MET A 84 -0.203 1.530 6.464 1.00 3.51 N ATOM 382 CA MET A 84 1.139 1.691 5.880 1.00 21.11 C ATOM 383 C MET A 84 1.524 3.179 5.941 1.00 0.13 C ATOM 384 O MET A 84 2.682 3.522 6.178 1.00 10.44 O ATOM 385 CB MET A 84 1.194 1.155 4.416 1.00 50.31 C ATOM 386 CG MET A 84 0.945 -0.356 4.295 1.00 2.33 C ATOM 387 SD MET A 84 1.094 -0.995 2.611 1.00 51.30 S ATOM 388 CE MET A 84 -0.160 -0.084 1.730 1.00 5.43 C ATOM 0 H MET A 84 -0.948 1.433 5.774 1.00 3.51 H new ATOM 0 HA MET A 84 1.855 1.103 6.454 1.00 21.11 H new ATOM 0 HB2 MET A 84 0.452 1.684 3.818 1.00 50.31 H new ATOM 0 HB3 MET A 84 2.171 1.387 3.991 1.00 50.31 H new ATOM 0 HG2 MET A 84 1.652 -0.883 4.936 1.00 2.33 H new ATOM 0 HG3 MET A 84 -0.053 -0.580 4.670 1.00 2.33 H new ATOM 0 HE1 MET A 84 -0.017 -0.212 0.657 1.00 5.43 H new ATOM 0 HE2 MET A 84 -1.145 -0.456 2.012 1.00 5.43 H new ATOM 0 HE3 MET A 84 -0.086 0.974 1.982 1.00 5.43 H new ATOM 398 N GLY A 85 0.505 4.047 5.777 1.00 31.11 N ATOM 399 CA GLY A 85 0.668 5.501 5.859 1.00 35.43 C ATOM 400 C GLY A 85 1.230 5.991 7.189 1.00 3.45 C ATOM 401 O GLY A 85 1.985 6.968 7.230 1.00 52.54 O ATOM 0 H GLY A 85 -0.452 3.753 5.584 1.00 31.11 H new ATOM 0 HA2 GLY A 85 1.328 5.828 5.056 1.00 35.43 H new ATOM 0 HA3 GLY A 85 -0.299 5.974 5.689 1.00 35.43 H new ATOM 405 N LYS A 86 0.900 5.276 8.272 1.00 64.13 N ATOM 406 CA LYS A 86 1.294 5.673 9.633 1.00 24.25 C ATOM 407 C LYS A 86 2.737 5.217 9.932 1.00 43.41 C ATOM 408 O LYS A 86 3.413 5.799 10.784 1.00 71.11 O ATOM 409 CB LYS A 86 0.289 5.091 10.667 1.00 63.35 C ATOM 410 CG LYS A 86 0.458 3.586 10.983 1.00 15.15 C ATOM 411 CD LYS A 86 -0.800 2.933 11.594 1.00 21.42 C ATOM 412 CE LYS A 86 -1.335 3.640 12.848 1.00 30.25 C ATOM 413 NZ LYS A 86 -2.669 3.092 13.243 1.00 13.31 N ATOM 0 H LYS A 86 0.357 4.413 8.233 1.00 64.13 H new ATOM 0 HA LYS A 86 1.269 6.760 9.710 1.00 24.25 H new ATOM 0 HB2 LYS A 86 0.384 5.653 11.596 1.00 63.35 H new ATOM 0 HB3 LYS A 86 -0.723 5.256 10.297 1.00 63.35 H new ATOM 0 HG2 LYS A 86 0.721 3.059 10.066 1.00 15.15 H new ATOM 0 HG3 LYS A 86 1.293 3.461 11.673 1.00 15.15 H new ATOM 0 HD2 LYS A 86 -1.587 2.912 10.840 1.00 21.42 H new ATOM 0 HD3 LYS A 86 -0.572 1.897 11.845 1.00 21.42 H new ATOM 0 HE2 LYS A 86 -0.629 3.516 13.669 1.00 30.25 H new ATOM 0 HE3 LYS A 86 -1.419 4.710 12.659 1.00 30.25 H new ATOM 0 HZ1 LYS A 86 -3.362 3.866 13.290 1.00 13.31 H new ATOM 0 HZ2 LYS A 86 -2.979 2.392 12.539 1.00 13.31 H new ATOM 0 HZ3 LYS A 86 -2.595 2.637 14.175 1.00 13.31 H new ATOM 427 N GLU A 87 3.190 4.169 9.213 1.00 52.51 N ATOM 428 CA GLU A 87 4.539 3.603 9.372 1.00 44.31 C ATOM 429 C GLU A 87 5.601 4.456 8.659 1.00 60.43 C ATOM 430 O GLU A 87 6.768 4.399 9.025 1.00 52.42 O ATOM 431 CB GLU A 87 4.593 2.154 8.831 1.00 62.25 C ATOM 432 CG GLU A 87 3.627 1.166 9.504 1.00 72.15 C ATOM 433 CD GLU A 87 3.782 1.081 11.028 1.00 42.31 C ATOM 434 OE1 GLU A 87 4.926 0.993 11.518 1.00 65.53 O ATOM 435 OE2 GLU A 87 2.762 1.107 11.757 1.00 60.12 O ATOM 0 H GLU A 87 2.628 3.694 8.507 1.00 52.51 H new ATOM 0 HA GLU A 87 4.760 3.599 10.439 1.00 44.31 H new ATOM 0 HB2 GLU A 87 4.380 2.174 7.762 1.00 62.25 H new ATOM 0 HB3 GLU A 87 5.610 1.778 8.946 1.00 62.25 H new ATOM 0 HG2 GLU A 87 2.603 1.458 9.269 1.00 72.15 H new ATOM 0 HG3 GLU A 87 3.782 0.175 9.078 1.00 72.15 H new ATOM 442 N ILE A 88 5.173 5.263 7.666 1.00 53.31 N ATOM 443 CA ILE A 88 6.078 6.054 6.799 1.00 44.41 C ATOM 444 C ILE A 88 6.944 7.030 7.618 1.00 63.04 C ATOM 445 O ILE A 88 8.161 7.121 7.398 1.00 63.42 O ATOM 446 CB ILE A 88 5.263 6.862 5.722 1.00 2.15 C ATOM 447 CG1 ILE A 88 4.437 5.890 4.839 1.00 75.33 C ATOM 448 CG2 ILE A 88 6.178 7.765 4.850 1.00 53.01 C ATOM 449 CD1 ILE A 88 3.538 6.574 3.840 1.00 51.22 C ATOM 0 H ILE A 88 4.186 5.386 7.440 1.00 53.31 H new ATOM 0 HA ILE A 88 6.735 5.343 6.298 1.00 44.41 H new ATOM 0 HB ILE A 88 4.580 7.526 6.252 1.00 2.15 H new ATOM 0 HG12 ILE A 88 5.122 5.232 4.304 1.00 75.33 H new ATOM 0 HG13 ILE A 88 3.828 5.258 5.486 1.00 75.33 H new ATOM 0 HG21 ILE A 88 5.571 8.303 4.122 1.00 53.01 H new ATOM 0 HG22 ILE A 88 6.698 8.480 5.488 1.00 53.01 H new ATOM 0 HG23 ILE A 88 6.908 7.147 4.328 1.00 53.01 H new ATOM 0 HD11 ILE A 88 2.997 5.823 3.264 1.00 51.22 H new ATOM 0 HD12 ILE A 88 2.826 7.210 4.367 1.00 51.22 H new ATOM 0 HD13 ILE A 88 4.140 7.184 3.166 1.00 51.22 H new ATOM 461 N ARG A 89 6.306 7.735 8.574 1.00 21.42 N ATOM 462 CA ARG A 89 6.966 8.800 9.348 1.00 2.31 C ATOM 463 C ARG A 89 8.093 8.235 10.267 1.00 73.41 C ATOM 464 O ARG A 89 9.230 8.721 10.177 1.00 55.23 O ATOM 465 CB ARG A 89 5.936 9.640 10.151 1.00 72.24 C ATOM 466 CG ARG A 89 4.821 10.269 9.290 1.00 31.11 C ATOM 467 CD ARG A 89 3.901 11.179 10.109 1.00 12.03 C ATOM 468 NE ARG A 89 4.650 12.283 10.738 1.00 64.04 N ATOM 469 CZ ARG A 89 4.318 12.902 11.880 1.00 11.00 C ATOM 470 NH1 ARG A 89 3.229 12.546 12.571 1.00 35.41 N ATOM 471 NH2 ARG A 89 5.088 13.880 12.331 1.00 24.32 N ATOM 0 H ARG A 89 5.330 7.583 8.828 1.00 21.42 H new ATOM 0 HA ARG A 89 7.445 9.470 8.634 1.00 2.31 H new ATOM 0 HB2 ARG A 89 5.479 9.004 10.909 1.00 72.24 H new ATOM 0 HB3 ARG A 89 6.464 10.435 10.678 1.00 72.24 H new ATOM 0 HG2 ARG A 89 5.270 10.844 8.480 1.00 31.11 H new ATOM 0 HG3 ARG A 89 4.230 9.477 8.829 1.00 31.11 H new ATOM 0 HD2 ARG A 89 3.123 11.587 9.463 1.00 12.03 H new ATOM 0 HD3 ARG A 89 3.400 10.593 10.879 1.00 12.03 H new ATOM 0 HE ARG A 89 5.494 12.603 10.263 1.00 64.04 H new ATOM 0 HH11 ARG A 89 2.634 11.791 12.231 1.00 35.41 H new ATOM 0 HH12 ARG A 89 2.994 13.030 13.438 1.00 35.41 H new ATOM 0 HH21 ARG A 89 5.922 14.154 11.811 1.00 24.32 H new ATOM 0 HH22 ARG A 89 4.848 14.360 13.198 1.00 24.32 H new ATOM 485 N PRO A 90 7.834 7.204 11.166 1.00 62.24 N ATOM 486 CA PRO A 90 8.916 6.576 11.967 1.00 50.21 C ATOM 487 C PRO A 90 9.976 5.840 11.098 1.00 5.41 C ATOM 488 O PRO A 90 11.156 5.853 11.450 1.00 53.10 O ATOM 489 CB PRO A 90 8.169 5.615 12.933 1.00 34.52 C ATOM 490 CG PRO A 90 6.845 5.358 12.281 1.00 21.10 C ATOM 491 CD PRO A 90 6.505 6.626 11.538 1.00 11.02 C ATOM 0 HA PRO A 90 9.505 7.323 12.499 1.00 50.21 H new ATOM 0 HB2 PRO A 90 8.725 4.688 13.075 1.00 34.52 H new ATOM 0 HB3 PRO A 90 8.043 6.065 13.918 1.00 34.52 H new ATOM 0 HG2 PRO A 90 6.902 4.508 11.601 1.00 21.10 H new ATOM 0 HG3 PRO A 90 6.082 5.122 13.023 1.00 21.10 H new ATOM 0 HD2 PRO A 90 5.900 6.420 10.655 1.00 11.02 H new ATOM 0 HD3 PRO A 90 5.934 7.312 12.163 1.00 11.02 H new ATOM 499 N THR A 91 9.553 5.231 9.961 1.00 23.32 N ATOM 500 CA THR A 91 10.482 4.607 8.972 1.00 22.34 C ATOM 501 C THR A 91 11.529 5.624 8.485 1.00 53.25 C ATOM 502 O THR A 91 12.740 5.373 8.523 1.00 43.10 O ATOM 503 CB THR A 91 9.692 4.045 7.744 1.00 50.20 C ATOM 504 OG1 THR A 91 8.887 2.946 8.176 1.00 71.24 O ATOM 505 CG2 THR A 91 10.602 3.592 6.581 1.00 22.14 C ATOM 0 H THR A 91 8.569 5.157 9.702 1.00 23.32 H new ATOM 0 HA THR A 91 10.992 3.785 9.474 1.00 22.34 H new ATOM 0 HB THR A 91 9.078 4.858 7.357 1.00 50.20 H new ATOM 0 HG1 THR A 91 8.046 3.283 8.548 1.00 71.24 H new ATOM 0 HG21 THR A 91 9.987 3.214 5.764 1.00 22.14 H new ATOM 0 HG22 THR A 91 11.192 4.439 6.230 1.00 22.14 H new ATOM 0 HG23 THR A 91 11.270 2.803 6.928 1.00 22.14 H new ATOM 513 N TYR A 92 11.016 6.782 8.063 1.00 32.22 N ATOM 514 CA TYR A 92 11.824 7.909 7.613 1.00 14.43 C ATOM 515 C TYR A 92 12.719 8.439 8.756 1.00 23.13 C ATOM 516 O TYR A 92 13.822 8.926 8.506 1.00 45.23 O ATOM 517 CB TYR A 92 10.895 9.028 7.073 1.00 54.42 C ATOM 518 CG TYR A 92 11.656 10.257 6.585 1.00 72.13 C ATOM 519 CD1 TYR A 92 12.529 10.166 5.504 1.00 42.23 C ATOM 520 CD2 TYR A 92 11.541 11.489 7.230 1.00 74.43 C ATOM 521 CE1 TYR A 92 13.252 11.248 5.084 1.00 13.03 C ATOM 522 CE2 TYR A 92 12.273 12.576 6.815 1.00 14.33 C ATOM 523 CZ TYR A 92 13.125 12.449 5.742 1.00 62.44 C ATOM 524 OH TYR A 92 13.867 13.533 5.338 1.00 62.34 O ATOM 0 H TYR A 92 10.013 6.962 8.025 1.00 32.22 H new ATOM 0 HA TYR A 92 12.482 7.575 6.810 1.00 14.43 H new ATOM 0 HB2 TYR A 92 10.296 8.630 6.254 1.00 54.42 H new ATOM 0 HB3 TYR A 92 10.201 9.326 7.859 1.00 54.42 H new ATOM 0 HD1 TYR A 92 12.637 9.224 4.988 1.00 42.23 H new ATOM 0 HD2 TYR A 92 10.867 11.590 8.068 1.00 74.43 H new ATOM 0 HE1 TYR A 92 13.920 11.160 4.240 1.00 13.03 H new ATOM 0 HE2 TYR A 92 12.180 13.522 7.327 1.00 14.33 H new ATOM 0 HH TYR A 92 13.658 14.303 5.907 1.00 62.34 H new ATOM 534 N ALA A 93 12.235 8.309 10.006 1.00 64.35 N ATOM 535 CA ALA A 93 12.963 8.756 11.210 1.00 63.22 C ATOM 536 C ALA A 93 13.994 7.706 11.690 1.00 33.51 C ATOM 537 O ALA A 93 14.566 7.847 12.779 1.00 31.12 O ATOM 538 CB ALA A 93 11.952 9.091 12.319 1.00 33.13 C ATOM 0 H ALA A 93 11.327 7.891 10.210 1.00 64.35 H new ATOM 0 HA ALA A 93 13.531 9.651 10.957 1.00 63.22 H new ATOM 0 HB1 ALA A 93 12.486 9.422 13.210 1.00 33.13 H new ATOM 0 HB2 ALA A 93 11.288 9.885 11.978 1.00 33.13 H new ATOM 0 HB3 ALA A 93 11.365 8.204 12.556 1.00 33.13 H new ATOM 544 N GLY A 94 14.237 6.664 10.869 1.00 44.30 N ATOM 545 CA GLY A 94 15.295 5.677 11.134 1.00 42.11 C ATOM 546 C GLY A 94 14.854 4.478 11.968 1.00 44.21 C ATOM 547 O GLY A 94 15.689 3.632 12.305 1.00 71.42 O ATOM 0 H GLY A 94 13.710 6.487 10.014 1.00 44.30 H new ATOM 0 HA2 GLY A 94 15.684 5.317 10.182 1.00 42.11 H new ATOM 0 HA3 GLY A 94 16.118 6.175 11.646 1.00 42.11 H new ATOM 551 N SER A 95 13.551 4.389 12.285 1.00 35.23 N ATOM 552 CA SER A 95 12.994 3.270 13.070 1.00 72.12 C ATOM 553 C SER A 95 12.856 1.997 12.206 1.00 13.14 C ATOM 554 O SER A 95 11.946 1.905 11.374 1.00 63.25 O ATOM 555 CB SER A 95 11.630 3.682 13.667 1.00 24.14 C ATOM 556 OG SER A 95 11.739 4.886 14.406 1.00 61.32 O ATOM 0 H SER A 95 12.858 5.084 12.008 1.00 35.23 H new ATOM 0 HA SER A 95 13.681 3.038 13.884 1.00 72.12 H new ATOM 0 HB2 SER A 95 10.902 3.808 12.866 1.00 24.14 H new ATOM 0 HB3 SER A 95 11.258 2.887 14.314 1.00 24.14 H new ATOM 0 HG SER A 95 10.862 5.126 14.772 1.00 61.32 H new ATOM 562 N LYS A 96 13.798 1.039 12.397 1.00 5.23 N ATOM 563 CA LYS A 96 13.832 -0.237 11.644 1.00 5.34 C ATOM 564 C LYS A 96 12.638 -1.152 11.955 1.00 52.33 C ATOM 565 O LYS A 96 12.236 -1.951 11.103 1.00 33.34 O ATOM 566 CB LYS A 96 15.171 -0.989 11.887 1.00 73.23 C ATOM 567 CG LYS A 96 15.492 -1.343 13.356 1.00 15.24 C ATOM 568 CD LYS A 96 16.858 -2.061 13.497 1.00 30.11 C ATOM 569 CE LYS A 96 17.193 -2.462 14.945 1.00 55.13 C ATOM 570 NZ LYS A 96 16.273 -3.503 15.479 1.00 10.12 N ATOM 0 H LYS A 96 14.553 1.131 13.076 1.00 5.23 H new ATOM 0 HA LYS A 96 13.758 0.029 10.589 1.00 5.34 H new ATOM 0 HB2 LYS A 96 15.157 -1.911 11.306 1.00 73.23 H new ATOM 0 HB3 LYS A 96 15.984 -0.378 11.495 1.00 73.23 H new ATOM 0 HG2 LYS A 96 15.498 -0.432 13.955 1.00 15.24 H new ATOM 0 HG3 LYS A 96 14.704 -1.982 13.755 1.00 15.24 H new ATOM 0 HD2 LYS A 96 16.857 -2.954 12.872 1.00 30.11 H new ATOM 0 HD3 LYS A 96 17.644 -1.408 13.118 1.00 30.11 H new ATOM 0 HE2 LYS A 96 18.218 -2.832 14.988 1.00 55.13 H new ATOM 0 HE3 LYS A 96 17.146 -1.579 15.583 1.00 55.13 H new ATOM 0 HZ1 LYS A 96 16.563 -3.761 16.444 1.00 10.12 H new ATOM 0 HZ2 LYS A 96 15.302 -3.132 15.497 1.00 10.12 H new ATOM 0 HZ3 LYS A 96 16.310 -4.345 14.870 1.00 10.12 H new ATOM 584 N SER A 97 12.096 -1.043 13.177 1.00 63.15 N ATOM 585 CA SER A 97 10.898 -1.797 13.583 1.00 22.34 C ATOM 586 C SER A 97 9.668 -1.346 12.770 1.00 40.52 C ATOM 587 O SER A 97 8.942 -2.175 12.208 1.00 14.55 O ATOM 588 CB SER A 97 10.640 -1.627 15.092 1.00 72.13 C ATOM 589 OG SER A 97 11.792 -1.978 15.847 1.00 44.44 O ATOM 0 H SER A 97 12.470 -0.436 13.906 1.00 63.15 H new ATOM 0 HA SER A 97 11.073 -2.853 13.379 1.00 22.34 H new ATOM 0 HB2 SER A 97 10.363 -0.594 15.303 1.00 72.13 H new ATOM 0 HB3 SER A 97 9.799 -2.251 15.394 1.00 72.13 H new ATOM 0 HG SER A 97 11.606 -1.861 16.802 1.00 44.44 H new ATOM 595 N ALA A 98 9.476 -0.018 12.696 1.00 31.14 N ATOM 596 CA ALA A 98 8.382 0.610 11.935 1.00 51.44 C ATOM 597 C ALA A 98 8.542 0.382 10.426 1.00 41.14 C ATOM 598 O ALA A 98 7.557 0.223 9.706 1.00 12.21 O ATOM 599 CB ALA A 98 8.341 2.100 12.239 1.00 1.33 C ATOM 0 H ALA A 98 10.081 0.655 13.166 1.00 31.14 H new ATOM 0 HA ALA A 98 7.444 0.147 12.241 1.00 51.44 H new ATOM 0 HB1 ALA A 98 7.531 2.564 11.676 1.00 1.33 H new ATOM 0 HB2 ALA A 98 8.173 2.249 13.306 1.00 1.33 H new ATOM 0 HB3 ALA A 98 9.289 2.556 11.954 1.00 1.33 H new ATOM 605 N MET A 99 9.809 0.387 9.971 1.00 2.21 N ATOM 606 CA MET A 99 10.184 0.118 8.572 1.00 62.24 C ATOM 607 C MET A 99 9.852 -1.326 8.186 1.00 52.35 C ATOM 608 O MET A 99 9.395 -1.585 7.071 1.00 1.12 O ATOM 609 CB MET A 99 11.688 0.445 8.375 1.00 65.01 C ATOM 610 CG MET A 99 12.262 0.154 6.971 1.00 14.04 C ATOM 611 SD MET A 99 12.578 -1.595 6.673 1.00 70.41 S ATOM 612 CE MET A 99 13.726 -1.980 7.992 1.00 34.41 C ATOM 0 H MET A 99 10.610 0.580 10.573 1.00 2.21 H new ATOM 0 HA MET A 99 9.604 0.758 7.907 1.00 62.24 H new ATOM 0 HB2 MET A 99 11.843 1.501 8.598 1.00 65.01 H new ATOM 0 HB3 MET A 99 12.263 -0.123 9.106 1.00 65.01 H new ATOM 0 HG2 MET A 99 11.565 0.523 6.218 1.00 14.04 H new ATOM 0 HG3 MET A 99 13.191 0.710 6.844 1.00 14.04 H new ATOM 0 HE1 MET A 99 14.523 -2.616 7.607 1.00 34.41 H new ATOM 0 HE2 MET A 99 14.155 -1.057 8.382 1.00 34.41 H new ATOM 0 HE3 MET A 99 13.200 -2.502 8.791 1.00 34.41 H new ATOM 622 N GLU A 100 10.053 -2.255 9.137 1.00 11.14 N ATOM 623 CA GLU A 100 9.724 -3.672 8.947 1.00 15.30 C ATOM 624 C GLU A 100 8.192 -3.856 8.896 1.00 30.52 C ATOM 625 O GLU A 100 7.685 -4.663 8.123 1.00 11.10 O ATOM 626 CB GLU A 100 10.360 -4.538 10.073 1.00 71.42 C ATOM 627 CG GLU A 100 10.123 -6.057 9.919 1.00 51.41 C ATOM 628 CD GLU A 100 10.573 -6.588 8.546 1.00 65.31 C ATOM 629 OE1 GLU A 100 11.792 -6.706 8.320 1.00 23.13 O ATOM 630 OE2 GLU A 100 9.716 -6.868 7.679 1.00 63.54 O ATOM 0 H GLU A 100 10.446 -2.043 10.054 1.00 11.14 H new ATOM 0 HA GLU A 100 10.140 -4.008 7.997 1.00 15.30 H new ATOM 0 HB2 GLU A 100 11.433 -4.350 10.097 1.00 71.42 H new ATOM 0 HB3 GLU A 100 9.959 -4.215 11.034 1.00 71.42 H new ATOM 0 HG2 GLU A 100 10.662 -6.587 10.704 1.00 51.41 H new ATOM 0 HG3 GLU A 100 9.064 -6.272 10.059 1.00 51.41 H new ATOM 637 N ARG A 101 7.476 -3.061 9.715 1.00 74.14 N ATOM 638 CA ARG A 101 5.999 -3.041 9.741 1.00 60.11 C ATOM 639 C ARG A 101 5.436 -2.414 8.458 1.00 52.14 C ATOM 640 O ARG A 101 4.347 -2.772 8.005 1.00 24.11 O ATOM 641 CB ARG A 101 5.501 -2.258 10.977 1.00 2.25 C ATOM 642 CG ARG A 101 5.736 -2.966 12.327 1.00 33.11 C ATOM 643 CD ARG A 101 5.538 -2.023 13.525 1.00 63.31 C ATOM 644 NE ARG A 101 4.273 -1.271 13.444 1.00 10.10 N ATOM 645 CZ ARG A 101 3.205 -1.443 14.227 1.00 31.22 C ATOM 646 NH1 ARG A 101 3.197 -2.370 15.189 1.00 31.22 N ATOM 647 NH2 ARG A 101 2.156 -0.656 14.061 1.00 32.52 N ATOM 0 H ARG A 101 7.905 -2.414 10.377 1.00 74.14 H new ATOM 0 HA ARG A 101 5.644 -4.070 9.802 1.00 60.11 H new ATOM 0 HB2 ARG A 101 5.998 -1.288 11.000 1.00 2.25 H new ATOM 0 HB3 ARG A 101 4.434 -2.067 10.863 1.00 2.25 H new ATOM 0 HG2 ARG A 101 5.052 -3.810 12.415 1.00 33.11 H new ATOM 0 HG3 ARG A 101 6.747 -3.371 12.350 1.00 33.11 H new ATOM 0 HD2 ARG A 101 5.554 -2.603 14.447 1.00 63.31 H new ATOM 0 HD3 ARG A 101 6.372 -1.322 13.574 1.00 63.31 H new ATOM 0 HE ARG A 101 4.207 -0.553 12.723 1.00 10.10 H new ATOM 0 HH11 ARG A 101 4.016 -2.961 15.335 1.00 31.22 H new ATOM 0 HH12 ARG A 101 2.372 -2.487 15.778 1.00 31.22 H new ATOM 0 HH21 ARG A 101 2.171 0.069 13.344 1.00 32.52 H new ATOM 0 HH22 ARG A 101 1.332 -0.774 14.650 1.00 32.52 H new ATOM 661 N LEU A 102 6.200 -1.481 7.877 1.00 32.13 N ATOM 662 CA LEU A 102 5.837 -0.816 6.624 1.00 61.15 C ATOM 663 C LEU A 102 5.959 -1.804 5.457 1.00 1.32 C ATOM 664 O LEU A 102 5.032 -1.937 4.654 1.00 74.11 O ATOM 665 CB LEU A 102 6.727 0.436 6.418 1.00 30.13 C ATOM 666 CG LEU A 102 6.438 1.315 5.158 1.00 12.22 C ATOM 667 CD1 LEU A 102 4.944 1.649 5.001 1.00 40.43 C ATOM 668 CD2 LEU A 102 7.280 2.594 5.203 1.00 60.23 C ATOM 0 H LEU A 102 7.089 -1.167 8.265 1.00 32.13 H new ATOM 0 HA LEU A 102 4.800 -0.482 6.668 1.00 61.15 H new ATOM 0 HB2 LEU A 102 6.631 1.068 7.301 1.00 30.13 H new ATOM 0 HB3 LEU A 102 7.766 0.109 6.371 1.00 30.13 H new ATOM 0 HG LEU A 102 6.720 0.730 4.282 1.00 12.22 H new ATOM 0 HD11 LEU A 102 4.800 2.261 4.111 1.00 40.43 H new ATOM 0 HD12 LEU A 102 4.373 0.726 4.903 1.00 40.43 H new ATOM 0 HD13 LEU A 102 4.600 2.197 5.878 1.00 40.43 H new ATOM 0 HD21 LEU A 102 7.071 3.199 4.321 1.00 60.23 H new ATOM 0 HD22 LEU A 102 7.031 3.162 6.099 1.00 60.23 H new ATOM 0 HD23 LEU A 102 8.338 2.333 5.221 1.00 60.23 H new ATOM 680 N LYS A 103 7.092 -2.545 5.417 1.00 31.44 N ATOM 681 CA LYS A 103 7.335 -3.581 4.391 1.00 61.23 C ATOM 682 C LYS A 103 6.322 -4.724 4.521 1.00 4.32 C ATOM 683 O LYS A 103 5.741 -5.144 3.534 1.00 62.21 O ATOM 684 CB LYS A 103 8.776 -4.139 4.481 1.00 12.23 C ATOM 685 CG LYS A 103 9.880 -3.087 4.259 1.00 0.44 C ATOM 686 CD LYS A 103 11.307 -3.676 4.131 1.00 72.31 C ATOM 687 CE LYS A 103 11.802 -4.435 5.382 1.00 32.44 C ATOM 688 NZ LYS A 103 11.192 -5.788 5.539 1.00 64.30 N ATOM 0 H LYS A 103 7.854 -2.442 6.088 1.00 31.44 H new ATOM 0 HA LYS A 103 7.212 -3.109 3.416 1.00 61.23 H new ATOM 0 HB2 LYS A 103 8.916 -4.594 5.462 1.00 12.23 H new ATOM 0 HB3 LYS A 103 8.893 -4.932 3.742 1.00 12.23 H new ATOM 0 HG2 LYS A 103 9.651 -2.522 3.355 1.00 0.44 H new ATOM 0 HG3 LYS A 103 9.864 -2.381 5.089 1.00 0.44 H new ATOM 0 HD2 LYS A 103 11.331 -4.353 3.277 1.00 72.31 H new ATOM 0 HD3 LYS A 103 12.003 -2.865 3.915 1.00 72.31 H new ATOM 0 HE2 LYS A 103 12.886 -4.538 5.329 1.00 32.44 H new ATOM 0 HE3 LYS A 103 11.581 -3.841 6.269 1.00 32.44 H new ATOM 0 HZ1 LYS A 103 11.929 -6.473 5.801 1.00 64.30 H new ATOM 0 HZ2 LYS A 103 10.467 -5.758 6.284 1.00 64.30 H new ATOM 0 HZ3 LYS A 103 10.754 -6.078 4.641 1.00 64.30 H new ATOM 702 N ARG A 104 6.084 -5.171 5.763 1.00 32.25 N ATOM 703 CA ARG A 104 5.098 -6.232 6.071 1.00 22.52 C ATOM 704 C ARG A 104 3.654 -5.735 5.840 1.00 30.13 C ATOM 705 O ARG A 104 2.728 -6.542 5.694 1.00 1.51 O ATOM 706 CB ARG A 104 5.312 -6.766 7.529 1.00 23.02 C ATOM 707 CG ARG A 104 6.209 -8.033 7.622 1.00 65.13 C ATOM 708 CD ARG A 104 6.599 -8.413 9.070 1.00 62.14 C ATOM 709 NE ARG A 104 7.017 -9.826 9.204 1.00 1.33 N ATOM 710 CZ ARG A 104 8.197 -10.346 8.819 1.00 74.21 C ATOM 711 NH1 ARG A 104 9.141 -9.589 8.286 1.00 61.42 N ATOM 712 NH2 ARG A 104 8.423 -11.647 8.963 1.00 45.44 N ATOM 0 H ARG A 104 6.567 -4.811 6.586 1.00 32.25 H new ATOM 0 HA ARG A 104 5.256 -7.066 5.387 1.00 22.52 H new ATOM 0 HB2 ARG A 104 5.758 -5.975 8.131 1.00 23.02 H new ATOM 0 HB3 ARG A 104 4.340 -6.991 7.967 1.00 23.02 H new ATOM 0 HG2 ARG A 104 5.686 -8.872 7.164 1.00 65.13 H new ATOM 0 HG3 ARG A 104 7.117 -7.868 7.042 1.00 65.13 H new ATOM 0 HD2 ARG A 104 7.411 -7.766 9.403 1.00 62.14 H new ATOM 0 HD3 ARG A 104 5.752 -8.226 9.730 1.00 62.14 H new ATOM 0 HE ARG A 104 6.347 -10.467 9.629 1.00 1.33 H new ATOM 0 HH11 ARG A 104 8.982 -8.589 8.159 1.00 61.42 H new ATOM 0 HH12 ARG A 104 10.028 -10.005 8.001 1.00 61.42 H new ATOM 0 HH21 ARG A 104 7.703 -12.248 9.364 1.00 45.44 H new ATOM 0 HH22 ARG A 104 9.316 -12.045 8.672 1.00 45.44 H new ATOM 726 N GLY A 105 3.482 -4.398 5.806 1.00 22.24 N ATOM 727 CA GLY A 105 2.233 -3.776 5.381 1.00 44.35 C ATOM 728 C GLY A 105 2.017 -3.943 3.891 1.00 64.30 C ATOM 729 O GLY A 105 0.904 -4.229 3.452 1.00 72.15 O ATOM 0 H GLY A 105 4.206 -3.731 6.073 1.00 22.24 H new ATOM 0 HA2 GLY A 105 1.399 -4.221 5.924 1.00 44.35 H new ATOM 0 HA3 GLY A 105 2.248 -2.715 5.632 1.00 44.35 H new ATOM 733 N ILE A 106 3.099 -3.766 3.111 1.00 4.43 N ATOM 734 CA ILE A 106 3.094 -3.994 1.652 1.00 22.20 C ATOM 735 C ILE A 106 2.900 -5.499 1.333 1.00 1.30 C ATOM 736 O ILE A 106 2.212 -5.848 0.376 1.00 74.30 O ATOM 737 CB ILE A 106 4.414 -3.407 0.971 1.00 64.52 C ATOM 738 CG1 ILE A 106 4.245 -1.883 0.620 1.00 2.20 C ATOM 739 CG2 ILE A 106 4.869 -4.215 -0.283 1.00 21.05 C ATOM 740 CD1 ILE A 106 4.173 -0.917 1.790 1.00 24.32 C ATOM 0 H ILE A 106 4.002 -3.461 3.473 1.00 4.43 H new ATOM 0 HA ILE A 106 2.248 -3.455 1.225 1.00 22.20 H new ATOM 0 HB ILE A 106 5.206 -3.510 1.712 1.00 64.52 H new ATOM 0 HG12 ILE A 106 5.079 -1.586 -0.016 1.00 2.20 H new ATOM 0 HG13 ILE A 106 3.337 -1.769 0.028 1.00 2.20 H new ATOM 0 HG21 ILE A 106 5.771 -3.765 -0.698 1.00 21.05 H new ATOM 0 HG22 ILE A 106 5.077 -5.246 0.004 1.00 21.05 H new ATOM 0 HG23 ILE A 106 4.078 -4.200 -1.032 1.00 21.05 H new ATOM 0 HD11 ILE A 106 4.057 0.100 1.416 1.00 24.32 H new ATOM 0 HD12 ILE A 106 3.321 -1.171 2.420 1.00 24.32 H new ATOM 0 HD13 ILE A 106 5.090 -0.985 2.375 1.00 24.32 H new ATOM 752 N ILE A 107 3.504 -6.379 2.153 1.00 52.33 N ATOM 753 CA ILE A 107 3.357 -7.848 2.020 1.00 50.24 C ATOM 754 C ILE A 107 1.880 -8.259 2.268 1.00 33.30 C ATOM 755 O ILE A 107 1.322 -9.092 1.540 1.00 32.31 O ATOM 756 CB ILE A 107 4.376 -8.602 2.995 1.00 63.22 C ATOM 757 CG1 ILE A 107 5.771 -8.822 2.306 1.00 72.12 C ATOM 758 CG2 ILE A 107 3.822 -9.958 3.513 1.00 61.34 C ATOM 759 CD1 ILE A 107 6.504 -7.575 1.822 1.00 1.35 C ATOM 0 H ILE A 107 4.107 -6.097 2.926 1.00 52.33 H new ATOM 0 HA ILE A 107 3.611 -8.150 1.004 1.00 50.24 H new ATOM 0 HB ILE A 107 4.504 -7.948 3.858 1.00 63.22 H new ATOM 0 HG12 ILE A 107 6.419 -9.345 3.010 1.00 72.12 H new ATOM 0 HG13 ILE A 107 5.627 -9.484 1.452 1.00 72.12 H new ATOM 0 HG21 ILE A 107 4.556 -10.424 4.170 1.00 61.34 H new ATOM 0 HG22 ILE A 107 2.898 -9.786 4.066 1.00 61.34 H new ATOM 0 HG23 ILE A 107 3.622 -10.616 2.667 1.00 61.34 H new ATOM 0 HD11 ILE A 107 7.451 -7.864 1.367 1.00 1.35 H new ATOM 0 HD12 ILE A 107 5.891 -7.055 1.086 1.00 1.35 H new ATOM 0 HD13 ILE A 107 6.694 -6.914 2.667 1.00 1.35 H new ATOM 771 N HIS A 108 1.267 -7.625 3.285 1.00 14.43 N ATOM 772 CA HIS A 108 -0.155 -7.825 3.623 1.00 40.31 C ATOM 773 C HIS A 108 -1.052 -7.296 2.486 1.00 23.41 C ATOM 774 O HIS A 108 -1.970 -7.990 2.032 1.00 43.20 O ATOM 775 CB HIS A 108 -0.485 -7.102 4.959 1.00 41.23 C ATOM 776 CG HIS A 108 -1.856 -7.374 5.550 1.00 0.41 C ATOM 777 ND1 HIS A 108 -2.221 -6.933 6.797 1.00 2.14 N ATOM 778 CD2 HIS A 108 -2.949 -8.017 5.067 1.00 13.34 C ATOM 779 CE1 HIS A 108 -3.458 -7.290 7.051 1.00 14.52 C ATOM 780 NE2 HIS A 108 -3.926 -7.945 6.021 1.00 41.52 N ATOM 0 H HIS A 108 1.743 -6.960 3.895 1.00 14.43 H new ATOM 0 HA HIS A 108 -0.347 -8.891 3.744 1.00 40.31 H new ATOM 0 HB2 HIS A 108 0.267 -7.384 5.696 1.00 41.23 H new ATOM 0 HB3 HIS A 108 -0.388 -6.028 4.800 1.00 41.23 H new ATOM 0 HD2 HIS A 108 -3.032 -8.498 4.104 1.00 13.34 H new ATOM 0 HE1 HIS A 108 -4.000 -7.078 7.961 1.00 14.52 H new ATOM 0 HE2 HIS A 108 -4.864 -8.337 5.942 1.00 41.52 H new ATOM 789 N ALA A 109 -0.741 -6.081 2.017 1.00 4.12 N ATOM 790 CA ALA A 109 -1.563 -5.363 1.033 1.00 30.21 C ATOM 791 C ALA A 109 -1.552 -6.060 -0.336 1.00 64.35 C ATOM 792 O ALA A 109 -2.611 -6.293 -0.918 1.00 64.15 O ATOM 793 CB ALA A 109 -1.095 -3.906 0.914 1.00 22.42 C ATOM 0 H ALA A 109 0.090 -5.566 2.310 1.00 4.12 H new ATOM 0 HA ALA A 109 -2.594 -5.371 1.387 1.00 30.21 H new ATOM 0 HB1 ALA A 109 -1.712 -3.384 0.182 1.00 22.42 H new ATOM 0 HB2 ALA A 109 -1.187 -3.414 1.882 1.00 22.42 H new ATOM 0 HB3 ALA A 109 -0.054 -3.883 0.593 1.00 22.42 H new ATOM 799 N ARG A 110 -0.349 -6.445 -0.799 1.00 72.32 N ATOM 800 CA ARG A 110 -0.143 -7.057 -2.132 1.00 54.30 C ATOM 801 C ARG A 110 -0.800 -8.437 -2.198 1.00 43.11 C ATOM 802 O ARG A 110 -1.286 -8.865 -3.261 1.00 13.00 O ATOM 803 CB ARG A 110 1.373 -7.161 -2.449 1.00 21.23 C ATOM 804 CG ARG A 110 1.702 -7.671 -3.866 1.00 44.12 C ATOM 805 CD ARG A 110 3.199 -7.591 -4.187 1.00 61.33 C ATOM 806 NE ARG A 110 3.504 -8.015 -5.564 1.00 51.52 N ATOM 807 CZ ARG A 110 3.342 -7.257 -6.664 1.00 44.12 C ATOM 808 NH1 ARG A 110 2.870 -6.016 -6.576 1.00 13.44 N ATOM 809 NH2 ARG A 110 3.656 -7.751 -7.853 1.00 52.44 N ATOM 0 H ARG A 110 0.512 -6.342 -0.261 1.00 72.32 H new ATOM 0 HA ARG A 110 -0.612 -6.419 -2.881 1.00 54.30 H new ATOM 0 HB2 ARG A 110 1.826 -6.178 -2.317 1.00 21.23 H new ATOM 0 HB3 ARG A 110 1.838 -7.826 -1.721 1.00 21.23 H new ATOM 0 HG2 ARG A 110 1.368 -8.704 -3.963 1.00 44.12 H new ATOM 0 HG3 ARG A 110 1.145 -7.085 -4.598 1.00 44.12 H new ATOM 0 HD2 ARG A 110 3.545 -6.568 -4.040 1.00 61.33 H new ATOM 0 HD3 ARG A 110 3.751 -8.217 -3.487 1.00 61.33 H new ATOM 0 HE ARG A 110 3.867 -8.959 -5.694 1.00 51.52 H new ATOM 0 HH11 ARG A 110 2.625 -5.627 -5.665 1.00 13.44 H new ATOM 0 HH12 ARG A 110 2.753 -5.454 -7.419 1.00 13.44 H new ATOM 0 HH21 ARG A 110 4.018 -8.701 -7.931 1.00 52.44 H new ATOM 0 HH22 ARG A 110 3.535 -7.181 -8.690 1.00 52.44 H new ATOM 823 N ALA A 111 -0.841 -9.109 -1.027 1.00 24.42 N ATOM 824 CA ALA A 111 -1.529 -10.387 -0.873 1.00 20.43 C ATOM 825 C ALA A 111 -3.027 -10.182 -1.114 1.00 74.12 C ATOM 826 O ALA A 111 -3.605 -10.833 -1.968 1.00 33.12 O ATOM 827 CB ALA A 111 -1.273 -10.988 0.513 1.00 51.45 C ATOM 0 H ALA A 111 -0.397 -8.774 -0.172 1.00 24.42 H new ATOM 0 HA ALA A 111 -1.140 -11.093 -1.607 1.00 20.43 H new ATOM 0 HB1 ALA A 111 -1.798 -11.939 0.600 1.00 51.45 H new ATOM 0 HB2 ALA A 111 -0.204 -11.150 0.648 1.00 51.45 H new ATOM 0 HB3 ALA A 111 -1.635 -10.303 1.279 1.00 51.45 H new ATOM 833 N LEU A 112 -3.593 -9.170 -0.432 1.00 73.51 N ATOM 834 CA LEU A 112 -5.038 -8.863 -0.489 1.00 33.13 C ATOM 835 C LEU A 112 -5.492 -8.469 -1.908 1.00 2.21 C ATOM 836 O LEU A 112 -6.619 -8.788 -2.308 1.00 14.11 O ATOM 837 CB LEU A 112 -5.401 -7.757 0.530 1.00 42.32 C ATOM 838 CG LEU A 112 -5.216 -8.139 2.030 1.00 60.20 C ATOM 839 CD1 LEU A 112 -5.543 -6.950 2.946 1.00 64.23 C ATOM 840 CD2 LEU A 112 -6.051 -9.384 2.406 1.00 53.42 C ATOM 0 H LEU A 112 -3.065 -8.542 0.174 1.00 73.51 H new ATOM 0 HA LEU A 112 -5.573 -9.774 -0.222 1.00 33.13 H new ATOM 0 HB2 LEU A 112 -4.791 -6.879 0.319 1.00 42.32 H new ATOM 0 HB3 LEU A 112 -6.440 -7.469 0.372 1.00 42.32 H new ATOM 0 HG LEU A 112 -4.167 -8.396 2.178 1.00 60.20 H new ATOM 0 HD11 LEU A 112 -5.406 -7.244 3.987 1.00 64.23 H new ATOM 0 HD12 LEU A 112 -4.879 -6.118 2.713 1.00 64.23 H new ATOM 0 HD13 LEU A 112 -6.577 -6.643 2.789 1.00 64.23 H new ATOM 0 HD21 LEU A 112 -5.897 -9.621 3.459 1.00 53.42 H new ATOM 0 HD22 LEU A 112 -7.107 -9.180 2.230 1.00 53.42 H new ATOM 0 HD23 LEU A 112 -5.738 -10.230 1.794 1.00 53.42 H new ATOM 852 N VAL A 113 -4.599 -7.799 -2.665 1.00 55.34 N ATOM 853 CA VAL A 113 -4.882 -7.413 -4.056 1.00 54.20 C ATOM 854 C VAL A 113 -4.975 -8.668 -4.946 1.00 54.50 C ATOM 855 O VAL A 113 -5.943 -8.827 -5.682 1.00 34.40 O ATOM 856 CB VAL A 113 -3.823 -6.409 -4.656 1.00 33.43 C ATOM 857 CG1 VAL A 113 -4.257 -5.937 -6.063 1.00 43.01 C ATOM 858 CG2 VAL A 113 -3.586 -5.204 -3.721 1.00 61.10 C ATOM 0 H VAL A 113 -3.677 -7.516 -2.333 1.00 55.34 H new ATOM 0 HA VAL A 113 -5.838 -6.889 -4.042 1.00 54.20 H new ATOM 0 HB VAL A 113 -2.877 -6.942 -4.746 1.00 33.43 H new ATOM 0 HG11 VAL A 113 -3.514 -5.245 -6.460 1.00 43.01 H new ATOM 0 HG12 VAL A 113 -4.342 -6.798 -6.726 1.00 43.01 H new ATOM 0 HG13 VAL A 113 -5.222 -5.434 -5.997 1.00 43.01 H new ATOM 0 HG21 VAL A 113 -2.851 -4.535 -4.169 1.00 61.10 H new ATOM 0 HG22 VAL A 113 -4.523 -4.667 -3.575 1.00 61.10 H new ATOM 0 HG23 VAL A 113 -3.216 -5.558 -2.758 1.00 61.10 H new ATOM 868 N ARG A 114 -3.980 -9.582 -4.830 1.00 11.41 N ATOM 869 CA ARG A 114 -3.921 -10.801 -5.676 1.00 71.43 C ATOM 870 C ARG A 114 -4.976 -11.849 -5.260 1.00 70.20 C ATOM 871 O ARG A 114 -5.343 -12.718 -6.062 1.00 61.41 O ATOM 872 CB ARG A 114 -2.496 -11.421 -5.692 1.00 24.34 C ATOM 873 CG ARG A 114 -2.048 -12.032 -4.355 1.00 32.21 C ATOM 874 CD ARG A 114 -0.616 -12.578 -4.376 1.00 1.11 C ATOM 875 NE ARG A 114 -0.210 -13.064 -3.056 1.00 72.33 N ATOM 876 CZ ARG A 114 1.035 -13.393 -2.702 1.00 60.14 C ATOM 877 NH1 ARG A 114 2.048 -13.298 -3.558 1.00 12.54 N ATOM 878 NH2 ARG A 114 1.263 -13.830 -1.484 1.00 52.43 N ATOM 0 H ARG A 114 -3.212 -9.500 -4.164 1.00 11.41 H new ATOM 0 HA ARG A 114 -4.159 -10.486 -6.692 1.00 71.43 H new ATOM 0 HB2 ARG A 114 -2.459 -12.194 -6.460 1.00 24.34 H new ATOM 0 HB3 ARG A 114 -1.782 -10.650 -5.981 1.00 24.34 H new ATOM 0 HG2 ARG A 114 -2.127 -11.275 -3.575 1.00 32.21 H new ATOM 0 HG3 ARG A 114 -2.731 -12.838 -4.087 1.00 32.21 H new ATOM 0 HD2 ARG A 114 -0.545 -13.388 -5.101 1.00 1.11 H new ATOM 0 HD3 ARG A 114 0.069 -11.796 -4.704 1.00 1.11 H new ATOM 0 HE ARG A 114 -0.938 -13.159 -2.348 1.00 72.33 H new ATOM 0 HH11 ARG A 114 1.883 -12.968 -4.509 1.00 12.54 H new ATOM 0 HH12 ARG A 114 2.990 -13.555 -3.264 1.00 12.54 H new ATOM 0 HH21 ARG A 114 0.493 -13.915 -0.820 1.00 52.43 H new ATOM 0 HH22 ARG A 114 2.210 -14.084 -1.202 1.00 52.43 H new ATOM 1319 N THR B 75 -5.288 -3.393 -11.184 1.00 40.12 N ATOM 1320 CA THR B 75 -3.891 -3.869 -11.180 1.00 43.31 C ATOM 1321 C THR B 75 -2.928 -2.694 -10.910 1.00 43.32 C ATOM 1322 O THR B 75 -1.773 -2.904 -10.512 1.00 74.02 O ATOM 1323 CB THR B 75 -3.544 -4.591 -12.524 1.00 64.43 C ATOM 1324 OG1 THR B 75 -4.512 -5.629 -12.775 1.00 5.11 O ATOM 1325 CG2 THR B 75 -2.138 -5.218 -12.504 1.00 42.41 C ATOM 0 HA THR B 75 -3.773 -4.597 -10.377 1.00 43.31 H new ATOM 0 HB THR B 75 -3.566 -3.839 -13.312 1.00 64.43 H new ATOM 0 HG1 THR B 75 -5.370 -5.381 -12.372 1.00 5.11 H new ATOM 0 HG21 THR B 75 -1.944 -5.707 -13.459 1.00 42.41 H new ATOM 0 HG22 THR B 75 -1.394 -4.439 -12.338 1.00 42.41 H new ATOM 0 HG23 THR B 75 -2.079 -5.953 -11.701 1.00 42.41 H new ATOM 1333 N ASP B 76 -3.431 -1.450 -11.113 1.00 64.13 N ATOM 1334 CA ASP B 76 -2.746 -0.227 -10.665 1.00 62.34 C ATOM 1335 C ASP B 76 -2.515 -0.299 -9.156 1.00 2.03 C ATOM 1336 O ASP B 76 -1.453 0.053 -8.686 1.00 52.42 O ATOM 1337 CB ASP B 76 -3.551 1.060 -11.008 1.00 0.31 C ATOM 1338 CG ASP B 76 -3.554 1.395 -12.506 1.00 2.44 C ATOM 1339 OD1 ASP B 76 -2.468 1.644 -13.063 1.00 31.24 O ATOM 1340 OD2 ASP B 76 -4.624 1.420 -13.131 1.00 23.21 O ATOM 0 H ASP B 76 -4.316 -1.275 -11.589 1.00 64.13 H new ATOM 0 HA ASP B 76 -1.795 -0.168 -11.194 1.00 62.34 H new ATOM 0 HB2 ASP B 76 -4.580 0.938 -10.668 1.00 0.31 H new ATOM 0 HB3 ASP B 76 -3.131 1.901 -10.456 1.00 0.31 H new ATOM 1345 N LEU B 77 -3.523 -0.818 -8.423 1.00 23.32 N ATOM 1346 CA LEU B 77 -3.440 -1.032 -6.968 1.00 2.23 C ATOM 1347 C LEU B 77 -2.302 -2.004 -6.624 1.00 40.20 C ATOM 1348 O LEU B 77 -1.473 -1.687 -5.778 1.00 52.33 O ATOM 1349 CB LEU B 77 -4.796 -1.545 -6.424 1.00 75.02 C ATOM 1350 CG LEU B 77 -4.877 -1.815 -4.890 1.00 5.44 C ATOM 1351 CD1 LEU B 77 -4.568 -0.548 -4.069 1.00 71.11 C ATOM 1352 CD2 LEU B 77 -6.249 -2.407 -4.522 1.00 61.54 C ATOM 0 H LEU B 77 -4.416 -1.100 -8.827 1.00 23.32 H new ATOM 0 HA LEU B 77 -3.218 -0.079 -6.488 1.00 2.23 H new ATOM 0 HB2 LEU B 77 -5.564 -0.816 -6.682 1.00 75.02 H new ATOM 0 HB3 LEU B 77 -5.045 -2.469 -6.946 1.00 75.02 H new ATOM 0 HG LEU B 77 -4.111 -2.547 -4.636 1.00 5.44 H new ATOM 0 HD11 LEU B 77 -4.635 -0.778 -3.006 1.00 71.11 H new ATOM 0 HD12 LEU B 77 -3.562 -0.200 -4.302 1.00 71.11 H new ATOM 0 HD13 LEU B 77 -5.288 0.231 -4.318 1.00 71.11 H new ATOM 0 HD21 LEU B 77 -6.290 -2.590 -3.448 1.00 61.54 H new ATOM 0 HD22 LEU B 77 -7.035 -1.705 -4.801 1.00 61.54 H new ATOM 0 HD23 LEU B 77 -6.395 -3.346 -5.056 1.00 61.54 H new ATOM 1364 N LEU B 78 -2.247 -3.155 -7.340 1.00 73.14 N ATOM 1365 CA LEU B 78 -1.177 -4.174 -7.168 1.00 2.43 C ATOM 1366 C LEU B 78 0.216 -3.544 -7.379 1.00 4.12 C ATOM 1367 O LEU B 78 1.157 -3.786 -6.604 1.00 44.42 O ATOM 1368 CB LEU B 78 -1.371 -5.342 -8.182 1.00 65.42 C ATOM 1369 CG LEU B 78 -0.395 -6.556 -8.020 1.00 30.42 C ATOM 1370 CD1 LEU B 78 -0.742 -7.391 -6.764 1.00 23.25 C ATOM 1371 CD2 LEU B 78 -0.356 -7.421 -9.296 1.00 20.42 C ATOM 0 H LEU B 78 -2.937 -3.403 -8.049 1.00 73.14 H new ATOM 0 HA LEU B 78 -1.243 -4.561 -6.151 1.00 2.43 H new ATOM 0 HB2 LEU B 78 -2.394 -5.708 -8.094 1.00 65.42 H new ATOM 0 HB3 LEU B 78 -1.261 -4.944 -9.191 1.00 65.42 H new ATOM 0 HG LEU B 78 0.609 -6.159 -7.874 1.00 30.42 H new ATOM 0 HD11 LEU B 78 -0.047 -8.226 -6.679 1.00 23.25 H new ATOM 0 HD12 LEU B 78 -0.665 -6.763 -5.877 1.00 23.25 H new ATOM 0 HD13 LEU B 78 -1.759 -7.773 -6.851 1.00 23.25 H new ATOM 0 HD21 LEU B 78 0.331 -8.255 -9.150 1.00 20.42 H new ATOM 0 HD22 LEU B 78 -1.354 -7.806 -9.505 1.00 20.42 H new ATOM 0 HD23 LEU B 78 -0.017 -6.815 -10.136 1.00 20.42 H new ATOM 1383 N SER B 79 0.286 -2.694 -8.426 1.00 51.11 N ATOM 1384 CA SER B 79 1.496 -1.985 -8.826 1.00 64.23 C ATOM 1385 C SER B 79 1.941 -1.005 -7.736 1.00 44.40 C ATOM 1386 O SER B 79 3.091 -1.053 -7.313 1.00 21.05 O ATOM 1387 CB SER B 79 1.270 -1.248 -10.165 1.00 23.34 C ATOM 1388 OG SER B 79 2.448 -0.579 -10.583 1.00 31.11 O ATOM 0 H SER B 79 -0.517 -2.485 -9.020 1.00 51.11 H new ATOM 0 HA SER B 79 2.292 -2.717 -8.964 1.00 64.23 H new ATOM 0 HB2 SER B 79 0.962 -1.962 -10.929 1.00 23.34 H new ATOM 0 HB3 SER B 79 0.459 -0.529 -10.056 1.00 23.34 H new ATOM 0 HG SER B 79 2.280 -0.121 -11.433 1.00 31.11 H new ATOM 1394 N VAL B 80 0.990 -0.174 -7.247 1.00 20.24 N ATOM 1395 CA VAL B 80 1.264 0.894 -6.269 1.00 42.14 C ATOM 1396 C VAL B 80 1.836 0.315 -4.968 1.00 72.34 C ATOM 1397 O VAL B 80 2.782 0.880 -4.412 1.00 61.45 O ATOM 1398 CB VAL B 80 -0.019 1.765 -5.961 1.00 51.10 C ATOM 1399 CG1 VAL B 80 0.219 2.752 -4.796 1.00 50.44 C ATOM 1400 CG2 VAL B 80 -0.466 2.533 -7.220 1.00 14.33 C ATOM 0 H VAL B 80 0.010 -0.230 -7.524 1.00 20.24 H new ATOM 0 HA VAL B 80 2.008 1.550 -6.720 1.00 42.14 H new ATOM 0 HB VAL B 80 -0.810 1.079 -5.659 1.00 51.10 H new ATOM 0 HG11 VAL B 80 -0.688 3.330 -4.618 1.00 50.44 H new ATOM 0 HG12 VAL B 80 0.477 2.196 -3.895 1.00 50.44 H new ATOM 0 HG13 VAL B 80 1.035 3.427 -5.052 1.00 50.44 H new ATOM 0 HG21 VAL B 80 -1.350 3.127 -6.989 1.00 14.33 H new ATOM 0 HG22 VAL B 80 0.338 3.192 -7.549 1.00 14.33 H new ATOM 0 HG23 VAL B 80 -0.702 1.824 -8.014 1.00 14.33 H new ATOM 1410 N ILE B 81 1.275 -0.831 -4.518 1.00 65.42 N ATOM 1411 CA ILE B 81 1.757 -1.537 -3.318 1.00 31.05 C ATOM 1412 C ILE B 81 3.265 -1.862 -3.445 1.00 72.35 C ATOM 1413 O ILE B 81 4.042 -1.620 -2.524 1.00 71.53 O ATOM 1414 CB ILE B 81 0.939 -2.852 -3.022 1.00 55.44 C ATOM 1415 CG1 ILE B 81 -0.599 -2.569 -2.935 1.00 4.41 C ATOM 1416 CG2 ILE B 81 1.438 -3.511 -1.726 1.00 51.24 C ATOM 1417 CD1 ILE B 81 -1.019 -1.501 -1.932 1.00 63.01 C ATOM 0 H ILE B 81 0.484 -1.285 -4.974 1.00 65.42 H new ATOM 0 HA ILE B 81 1.604 -0.864 -2.474 1.00 31.05 H new ATOM 0 HB ILE B 81 1.101 -3.538 -3.854 1.00 55.44 H new ATOM 0 HG12 ILE B 81 -0.952 -2.272 -3.923 1.00 4.41 H new ATOM 0 HG13 ILE B 81 -1.107 -3.499 -2.681 1.00 4.41 H new ATOM 0 HG21 ILE B 81 0.864 -4.418 -1.534 1.00 51.24 H new ATOM 0 HG22 ILE B 81 2.493 -3.765 -1.830 1.00 51.24 H new ATOM 0 HG23 ILE B 81 1.311 -2.819 -0.894 1.00 51.24 H new ATOM 0 HD11 ILE B 81 -2.103 -1.387 -1.955 1.00 63.01 H new ATOM 0 HD12 ILE B 81 -0.706 -1.799 -0.931 1.00 63.01 H new ATOM 0 HD13 ILE B 81 -0.549 -0.553 -2.192 1.00 63.01 H new ATOM 1429 N GLU B 82 3.662 -2.337 -4.634 1.00 45.53 N ATOM 1430 CA GLU B 82 5.062 -2.682 -4.939 1.00 23.20 C ATOM 1431 C GLU B 82 5.934 -1.423 -5.138 1.00 72.13 C ATOM 1432 O GLU B 82 7.101 -1.404 -4.722 1.00 31.11 O ATOM 1433 CB GLU B 82 5.104 -3.579 -6.200 1.00 55.30 C ATOM 1434 CG GLU B 82 6.511 -4.019 -6.643 1.00 72.35 C ATOM 1435 CD GLU B 82 6.470 -4.978 -7.833 1.00 23.23 C ATOM 1436 OE1 GLU B 82 6.483 -4.506 -8.988 1.00 22.42 O ATOM 1437 OE2 GLU B 82 6.421 -6.206 -7.618 1.00 62.33 O ATOM 0 H GLU B 82 3.023 -2.494 -5.413 1.00 45.53 H new ATOM 0 HA GLU B 82 5.475 -3.224 -4.089 1.00 23.20 H new ATOM 0 HB2 GLU B 82 4.504 -4.470 -6.013 1.00 55.30 H new ATOM 0 HB3 GLU B 82 4.632 -3.043 -7.024 1.00 55.30 H new ATOM 0 HG2 GLU B 82 7.098 -3.140 -6.908 1.00 72.35 H new ATOM 0 HG3 GLU B 82 7.019 -4.501 -5.808 1.00 72.35 H new ATOM 1444 N GLU B 83 5.348 -0.367 -5.744 1.00 13.22 N ATOM 1445 CA GLU B 83 6.059 0.902 -6.014 1.00 13.12 C ATOM 1446 C GLU B 83 6.482 1.565 -4.701 1.00 35.10 C ATOM 1447 O GLU B 83 7.571 2.136 -4.589 1.00 42.44 O ATOM 1448 CB GLU B 83 5.182 1.878 -6.844 1.00 1.43 C ATOM 1449 CG GLU B 83 4.831 1.394 -8.268 1.00 11.34 C ATOM 1450 CD GLU B 83 6.063 1.105 -9.140 1.00 65.45 C ATOM 1451 OE1 GLU B 83 6.564 2.032 -9.811 1.00 75.40 O ATOM 1452 OE2 GLU B 83 6.548 -0.050 -9.154 1.00 11.31 O ATOM 0 H GLU B 83 4.377 -0.369 -6.057 1.00 13.22 H new ATOM 0 HA GLU B 83 6.948 0.666 -6.599 1.00 13.12 H new ATOM 0 HB2 GLU B 83 4.255 2.061 -6.300 1.00 1.43 H new ATOM 0 HB3 GLU B 83 5.701 2.834 -6.919 1.00 1.43 H new ATOM 0 HG2 GLU B 83 4.226 0.490 -8.197 1.00 11.34 H new ATOM 0 HG3 GLU B 83 4.218 2.150 -8.759 1.00 11.34 H new ATOM 1459 N MET B 84 5.596 1.474 -3.711 1.00 23.11 N ATOM 1460 CA MET B 84 5.857 1.934 -2.352 1.00 23.23 C ATOM 1461 C MET B 84 6.836 0.983 -1.659 1.00 2.04 C ATOM 1462 O MET B 84 7.807 1.427 -1.051 1.00 63.23 O ATOM 1463 CB MET B 84 4.525 2.009 -1.569 1.00 23.24 C ATOM 1464 CG MET B 84 3.543 3.036 -2.127 1.00 54.21 C ATOM 1465 SD MET B 84 2.024 3.133 -1.170 1.00 15.31 S ATOM 1466 CE MET B 84 1.367 1.471 -1.269 1.00 31.42 C ATOM 0 H MET B 84 4.666 1.074 -3.833 1.00 23.11 H new ATOM 0 HA MET B 84 6.305 2.927 -2.382 1.00 23.23 H new ATOM 0 HB2 MET B 84 4.053 1.026 -1.577 1.00 23.24 H new ATOM 0 HB3 MET B 84 4.739 2.252 -0.528 1.00 23.24 H new ATOM 0 HG2 MET B 84 4.020 4.016 -2.145 1.00 54.21 H new ATOM 0 HG3 MET B 84 3.302 2.779 -3.159 1.00 54.21 H new ATOM 0 HE1 MET B 84 0.346 1.460 -0.886 1.00 31.42 H new ATOM 0 HE2 MET B 84 1.369 1.140 -2.308 1.00 31.42 H new ATOM 0 HE3 MET B 84 1.985 0.799 -0.673 1.00 31.42 H new ATOM 1476 N GLY B 85 6.577 -0.333 -1.837 1.00 34.24 N ATOM 1477 CA GLY B 85 7.332 -1.407 -1.188 1.00 5.25 C ATOM 1478 C GLY B 85 8.827 -1.348 -1.419 1.00 33.04 C ATOM 1479 O GLY B 85 9.620 -1.624 -0.515 1.00 22.43 O ATOM 0 H GLY B 85 5.830 -0.672 -2.442 1.00 34.24 H new ATOM 0 HA2 GLY B 85 7.141 -1.372 -0.115 1.00 5.25 H new ATOM 0 HA3 GLY B 85 6.959 -2.366 -1.548 1.00 5.25 H new ATOM 1483 N LYS B 86 9.201 -0.927 -2.628 1.00 72.33 N ATOM 1484 CA LYS B 86 10.600 -0.861 -3.048 1.00 11.43 C ATOM 1485 C LYS B 86 11.240 0.439 -2.514 1.00 65.32 C ATOM 1486 O LYS B 86 12.397 0.441 -2.088 1.00 61.11 O ATOM 1487 CB LYS B 86 10.691 -0.952 -4.599 1.00 32.21 C ATOM 1488 CG LYS B 86 10.042 0.221 -5.359 1.00 0.24 C ATOM 1489 CD LYS B 86 9.981 0.018 -6.890 1.00 1.40 C ATOM 1490 CE LYS B 86 9.470 1.271 -7.622 1.00 24.33 C ATOM 1491 NZ LYS B 86 9.300 1.031 -9.081 1.00 4.14 N ATOM 0 H LYS B 86 8.541 -0.622 -3.344 1.00 72.33 H new ATOM 0 HA LYS B 86 11.153 -1.704 -2.633 1.00 11.43 H new ATOM 0 HB2 LYS B 86 11.741 -1.013 -4.883 1.00 32.21 H new ATOM 0 HB3 LYS B 86 10.219 -1.880 -4.922 1.00 32.21 H new ATOM 0 HG2 LYS B 86 9.030 0.370 -4.982 1.00 0.24 H new ATOM 0 HG3 LYS B 86 10.600 1.133 -5.145 1.00 0.24 H new ATOM 0 HD2 LYS B 86 10.974 -0.238 -7.261 1.00 1.40 H new ATOM 0 HD3 LYS B 86 9.329 -0.825 -7.117 1.00 1.40 H new ATOM 0 HE2 LYS B 86 8.517 1.580 -7.191 1.00 24.33 H new ATOM 0 HE3 LYS B 86 10.170 2.092 -7.468 1.00 24.33 H new ATOM 0 HZ1 LYS B 86 9.053 1.924 -9.553 1.00 4.14 H new ATOM 0 HZ2 LYS B 86 10.188 0.664 -9.478 1.00 4.14 H new ATOM 0 HZ3 LYS B 86 8.540 0.337 -9.232 1.00 4.14 H new ATOM 1505 N GLU B 87 10.438 1.529 -2.488 1.00 55.31 N ATOM 1506 CA GLU B 87 10.903 2.873 -2.088 1.00 74.43 C ATOM 1507 C GLU B 87 10.804 3.117 -0.572 1.00 62.12 C ATOM 1508 O GLU B 87 11.020 4.239 -0.113 1.00 34.23 O ATOM 1509 CB GLU B 87 10.173 3.975 -2.897 1.00 11.44 C ATOM 1510 CG GLU B 87 10.502 3.924 -4.403 1.00 44.43 C ATOM 1511 CD GLU B 87 10.023 5.158 -5.168 1.00 22.20 C ATOM 1512 OE1 GLU B 87 10.646 6.231 -5.010 1.00 13.45 O ATOM 1513 OE2 GLU B 87 9.028 5.068 -5.924 1.00 62.42 O ATOM 0 H GLU B 87 9.451 1.499 -2.744 1.00 55.31 H new ATOM 0 HA GLU B 87 11.965 2.923 -2.328 1.00 74.43 H new ATOM 0 HB2 GLU B 87 9.097 3.868 -2.760 1.00 11.44 H new ATOM 0 HB3 GLU B 87 10.448 4.953 -2.502 1.00 11.44 H new ATOM 0 HG2 GLU B 87 11.580 3.822 -4.529 1.00 44.43 H new ATOM 0 HG3 GLU B 87 10.045 3.035 -4.838 1.00 44.43 H new ATOM 1520 N ILE B 88 10.523 2.053 0.195 1.00 50.44 N ATOM 1521 CA ILE B 88 10.661 2.061 1.663 1.00 72.42 C ATOM 1522 C ILE B 88 12.150 2.186 2.068 1.00 52.21 C ATOM 1523 O ILE B 88 12.470 2.865 3.044 1.00 63.35 O ATOM 1524 CB ILE B 88 10.034 0.757 2.284 1.00 32.23 C ATOM 1525 CG1 ILE B 88 8.524 0.678 1.930 1.00 64.34 C ATOM 1526 CG2 ILE B 88 10.255 0.680 3.818 1.00 32.33 C ATOM 1527 CD1 ILE B 88 7.848 -0.607 2.347 1.00 43.31 C ATOM 0 H ILE B 88 10.194 1.164 -0.182 1.00 50.44 H new ATOM 0 HA ILE B 88 10.122 2.925 2.053 1.00 72.42 H new ATOM 0 HB ILE B 88 10.544 -0.103 1.851 1.00 32.23 H new ATOM 0 HG12 ILE B 88 8.009 1.514 2.403 1.00 64.34 H new ATOM 0 HG13 ILE B 88 8.410 0.801 0.853 1.00 64.34 H new ATOM 0 HG21 ILE B 88 9.807 -0.235 4.205 1.00 32.33 H new ATOM 0 HG22 ILE B 88 11.324 0.679 4.032 1.00 32.33 H new ATOM 0 HG23 ILE B 88 9.790 1.542 4.296 1.00 32.33 H new ATOM 0 HD11 ILE B 88 6.797 -0.575 2.060 1.00 43.31 H new ATOM 0 HD12 ILE B 88 8.333 -1.450 1.854 1.00 43.31 H new ATOM 0 HD13 ILE B 88 7.926 -0.725 3.428 1.00 43.31 H new ATOM 1539 N ARG B 89 13.047 1.540 1.288 1.00 55.22 N ATOM 1540 CA ARG B 89 14.503 1.536 1.562 1.00 20.51 C ATOM 1541 C ARG B 89 15.133 2.960 1.450 1.00 52.41 C ATOM 1542 O ARG B 89 15.801 3.383 2.403 1.00 3.11 O ATOM 1543 CB ARG B 89 15.235 0.504 0.655 1.00 51.33 C ATOM 1544 CG ARG B 89 16.777 0.515 0.777 1.00 53.15 C ATOM 1545 CD ARG B 89 17.463 -0.511 -0.140 1.00 64.11 C ATOM 1546 NE ARG B 89 17.168 -0.300 -1.571 1.00 32.13 N ATOM 1547 CZ ARG B 89 17.709 -1.003 -2.586 1.00 22.35 C ATOM 1548 NH1 ARG B 89 18.584 -1.986 -2.363 1.00 44.23 N ATOM 1549 NH2 ARG B 89 17.349 -0.734 -3.828 1.00 32.24 N ATOM 0 H ARG B 89 12.785 1.010 0.457 1.00 55.22 H new ATOM 0 HA ARG B 89 14.638 1.225 2.598 1.00 20.51 H new ATOM 0 HB2 ARG B 89 14.872 -0.495 0.898 1.00 51.33 H new ATOM 0 HB3 ARG B 89 14.965 0.697 -0.383 1.00 51.33 H new ATOM 0 HG2 ARG B 89 17.147 1.512 0.537 1.00 53.15 H new ATOM 0 HG3 ARG B 89 17.055 0.312 1.811 1.00 53.15 H new ATOM 0 HD2 ARG B 89 18.541 -0.462 0.013 1.00 64.11 H new ATOM 0 HD3 ARG B 89 17.146 -1.514 0.146 1.00 64.11 H new ATOM 0 HE ARG B 89 16.503 0.435 -1.810 1.00 32.13 H new ATOM 0 HH11 ARG B 89 18.857 -2.219 -1.408 1.00 44.23 H new ATOM 0 HH12 ARG B 89 18.980 -2.504 -3.147 1.00 44.23 H new ATOM 0 HH21 ARG B 89 16.666 0.001 -4.013 1.00 32.24 H new ATOM 0 HH22 ARG B 89 17.754 -1.261 -4.602 1.00 32.24 H new ATOM 1563 N PRO B 90 14.967 3.733 0.307 1.00 23.11 N ATOM 1564 CA PRO B 90 15.480 5.125 0.227 1.00 53.41 C ATOM 1565 C PRO B 90 14.831 6.063 1.274 1.00 71.00 C ATOM 1566 O PRO B 90 15.522 6.909 1.843 1.00 72.32 O ATOM 1567 CB PRO B 90 15.177 5.564 -1.228 1.00 3.34 C ATOM 1568 CG PRO B 90 14.103 4.634 -1.693 1.00 13.50 C ATOM 1569 CD PRO B 90 14.368 3.326 -0.991 1.00 53.34 C ATOM 0 HA PRO B 90 16.544 5.178 0.458 1.00 53.41 H new ATOM 0 HB2 PRO B 90 14.846 6.602 -1.267 1.00 3.34 H new ATOM 0 HB3 PRO B 90 16.064 5.489 -1.857 1.00 3.34 H new ATOM 0 HG2 PRO B 90 13.115 5.020 -1.443 1.00 13.50 H new ATOM 0 HG3 PRO B 90 14.133 4.511 -2.776 1.00 13.50 H new ATOM 0 HD2 PRO B 90 13.450 2.757 -0.846 1.00 53.34 H new ATOM 0 HD3 PRO B 90 15.047 2.695 -1.564 1.00 53.34 H new ATOM 1577 N THR B 91 13.516 5.881 1.536 1.00 72.32 N ATOM 1578 CA THR B 91 12.792 6.603 2.615 1.00 10.41 C ATOM 1579 C THR B 91 13.487 6.399 3.978 1.00 3.31 C ATOM 1580 O THR B 91 13.767 7.359 4.707 1.00 22.44 O ATOM 1581 CB THR B 91 11.311 6.115 2.709 1.00 54.22 C ATOM 1582 OG1 THR B 91 10.619 6.484 1.511 1.00 74.02 O ATOM 1583 CG2 THR B 91 10.568 6.691 3.934 1.00 42.42 C ATOM 0 H THR B 91 12.928 5.234 1.011 1.00 72.32 H new ATOM 0 HA THR B 91 12.804 7.664 2.367 1.00 10.41 H new ATOM 0 HB THR B 91 11.330 5.032 2.828 1.00 54.22 H new ATOM 0 HG1 THR B 91 10.680 5.754 0.860 1.00 74.02 H new ATOM 0 HG21 THR B 91 9.544 6.318 3.947 1.00 42.42 H new ATOM 0 HG22 THR B 91 11.078 6.383 4.847 1.00 42.42 H new ATOM 0 HG23 THR B 91 10.556 7.779 3.874 1.00 42.42 H new ATOM 1591 N TYR B 92 13.774 5.124 4.268 1.00 32.44 N ATOM 1592 CA TYR B 92 14.468 4.693 5.481 1.00 74.01 C ATOM 1593 C TYR B 92 15.910 5.251 5.533 1.00 24.24 C ATOM 1594 O TYR B 92 16.449 5.483 6.618 1.00 3.40 O ATOM 1595 CB TYR B 92 14.477 3.142 5.544 1.00 32.15 C ATOM 1596 CG TYR B 92 15.102 2.585 6.818 1.00 61.13 C ATOM 1597 CD1 TYR B 92 14.560 2.897 8.061 1.00 63.14 C ATOM 1598 CD2 TYR B 92 16.246 1.786 6.787 1.00 65.54 C ATOM 1599 CE1 TYR B 92 15.128 2.440 9.218 1.00 4.44 C ATOM 1600 CE2 TYR B 92 16.826 1.332 7.953 1.00 63.13 C ATOM 1601 CZ TYR B 92 16.258 1.661 9.163 1.00 51.21 C ATOM 1602 OH TYR B 92 16.846 1.240 10.333 1.00 3.13 O ATOM 0 H TYR B 92 13.524 4.350 3.652 1.00 32.44 H new ATOM 0 HA TYR B 92 13.937 5.087 6.347 1.00 74.01 H new ATOM 0 HB2 TYR B 92 13.453 2.778 5.463 1.00 32.15 H new ATOM 0 HB3 TYR B 92 15.022 2.755 4.683 1.00 32.15 H new ATOM 0 HD1 TYR B 92 13.674 3.512 8.113 1.00 63.14 H new ATOM 0 HD2 TYR B 92 16.683 1.519 5.836 1.00 65.54 H new ATOM 0 HE1 TYR B 92 14.689 2.691 10.172 1.00 4.44 H new ATOM 0 HE2 TYR B 92 17.718 0.724 7.917 1.00 63.13 H new ATOM 0 HH TYR B 92 17.311 0.391 10.179 1.00 3.13 H new ATOM 1612 N ALA B 93 16.508 5.478 4.350 1.00 10.43 N ATOM 1613 CA ALA B 93 17.870 6.035 4.211 1.00 22.54 C ATOM 1614 C ALA B 93 17.857 7.580 4.271 1.00 31.02 C ATOM 1615 O ALA B 93 18.885 8.229 4.033 1.00 50.33 O ATOM 1616 CB ALA B 93 18.482 5.530 2.892 1.00 25.02 C ATOM 0 H ALA B 93 16.059 5.280 3.456 1.00 10.43 H new ATOM 0 HA ALA B 93 18.484 5.696 5.046 1.00 22.54 H new ATOM 0 HB1 ALA B 93 19.488 5.935 2.779 1.00 25.02 H new ATOM 0 HB2 ALA B 93 18.529 4.441 2.906 1.00 25.02 H new ATOM 0 HB3 ALA B 93 17.864 5.856 2.056 1.00 25.02 H new ATOM 1622 N GLY B 94 16.691 8.156 4.615 1.00 72.31 N ATOM 1623 CA GLY B 94 16.551 9.601 4.820 1.00 41.13 C ATOM 1624 C GLY B 94 16.316 10.400 3.544 1.00 45.01 C ATOM 1625 O GLY B 94 16.612 11.595 3.510 1.00 22.45 O ATOM 0 H GLY B 94 15.827 7.633 4.757 1.00 72.31 H new ATOM 0 HA2 GLY B 94 15.721 9.780 5.504 1.00 41.13 H new ATOM 0 HA3 GLY B 94 17.451 9.975 5.307 1.00 41.13 H new ATOM 1629 N SER B 95 15.826 9.743 2.484 1.00 50.42 N ATOM 1630 CA SER B 95 15.370 10.433 1.261 1.00 11.43 C ATOM 1631 C SER B 95 13.895 10.858 1.395 1.00 10.12 C ATOM 1632 O SER B 95 12.988 10.029 1.258 1.00 1.33 O ATOM 1633 CB SER B 95 15.570 9.515 0.034 1.00 62.02 C ATOM 1634 OG SER B 95 16.915 9.083 -0.067 1.00 62.24 O ATOM 0 H SER B 95 15.733 8.728 2.445 1.00 50.42 H new ATOM 0 HA SER B 95 15.966 11.335 1.122 1.00 11.43 H new ATOM 0 HB2 SER B 95 14.912 8.650 0.113 1.00 62.02 H new ATOM 0 HB3 SER B 95 15.287 10.049 -0.873 1.00 62.02 H new ATOM 0 HG SER B 95 17.014 8.502 -0.850 1.00 62.24 H new ATOM 1640 N LYS B 96 13.685 12.160 1.702 1.00 53.01 N ATOM 1641 CA LYS B 96 12.346 12.772 1.812 1.00 70.35 C ATOM 1642 C LYS B 96 11.623 12.818 0.456 1.00 62.33 C ATOM 1643 O LYS B 96 10.394 12.890 0.419 1.00 3.42 O ATOM 1644 CB LYS B 96 12.429 14.182 2.454 1.00 74.34 C ATOM 1645 CG LYS B 96 13.285 15.207 1.684 1.00 61.55 C ATOM 1646 CD LYS B 96 13.349 16.582 2.393 1.00 34.44 C ATOM 1647 CE LYS B 96 14.188 17.609 1.615 1.00 13.02 C ATOM 1648 NZ LYS B 96 13.576 17.971 0.306 1.00 4.40 N ATOM 0 H LYS B 96 14.446 12.816 1.881 1.00 53.01 H new ATOM 0 HA LYS B 96 11.752 12.137 2.469 1.00 70.35 H new ATOM 0 HB2 LYS B 96 11.418 14.578 2.553 1.00 74.34 H new ATOM 0 HB3 LYS B 96 12.832 14.081 3.462 1.00 74.34 H new ATOM 0 HG2 LYS B 96 14.296 14.816 1.567 1.00 61.55 H new ATOM 0 HG3 LYS B 96 12.875 15.338 0.682 1.00 61.55 H new ATOM 0 HD2 LYS B 96 12.338 16.968 2.522 1.00 34.44 H new ATOM 0 HD3 LYS B 96 13.771 16.454 3.390 1.00 34.44 H new ATOM 0 HE2 LYS B 96 14.306 18.509 2.219 1.00 13.02 H new ATOM 0 HE3 LYS B 96 15.186 17.205 1.446 1.00 13.02 H new ATOM 0 HZ1 LYS B 96 14.143 18.715 -0.149 1.00 4.40 H new ATOM 0 HZ2 LYS B 96 13.549 17.132 -0.308 1.00 4.40 H new ATOM 0 HZ3 LYS B 96 12.608 18.319 0.460 1.00 4.40 H new ATOM 1662 N SER B 97 12.394 12.782 -0.650 1.00 23.11 N ATOM 1663 CA SER B 97 11.835 12.707 -2.012 1.00 42.22 C ATOM 1664 C SER B 97 11.062 11.387 -2.210 1.00 53.15 C ATOM 1665 O SER B 97 9.900 11.390 -2.632 1.00 34.41 O ATOM 1666 CB SER B 97 12.959 12.830 -3.067 1.00 42.51 C ATOM 1667 OG SER B 97 13.750 13.987 -2.840 1.00 53.54 O ATOM 0 H SER B 97 13.413 12.804 -0.623 1.00 23.11 H new ATOM 0 HA SER B 97 11.142 13.538 -2.142 1.00 42.22 H new ATOM 0 HB2 SER B 97 13.591 11.942 -3.035 1.00 42.51 H new ATOM 0 HB3 SER B 97 12.522 12.875 -4.065 1.00 42.51 H new ATOM 0 HG SER B 97 14.454 14.040 -3.519 1.00 53.54 H new ATOM 1673 N ALA B 98 11.734 10.269 -1.859 1.00 25.44 N ATOM 1674 CA ALA B 98 11.165 8.914 -1.940 1.00 51.23 C ATOM 1675 C ALA B 98 10.085 8.714 -0.869 1.00 32.13 C ATOM 1676 O ALA B 98 9.152 7.938 -1.067 1.00 11.22 O ATOM 1677 CB ALA B 98 12.270 7.865 -1.791 1.00 73.14 C ATOM 0 H ALA B 98 12.692 10.286 -1.510 1.00 25.44 H new ATOM 0 HA ALA B 98 10.700 8.793 -2.918 1.00 51.23 H new ATOM 0 HB1 ALA B 98 11.835 6.867 -1.853 1.00 73.14 H new ATOM 0 HB2 ALA B 98 13.002 7.992 -2.589 1.00 73.14 H new ATOM 0 HB3 ALA B 98 12.761 7.988 -0.825 1.00 73.14 H new ATOM 1683 N MET B 99 10.242 9.418 0.274 1.00 52.41 N ATOM 1684 CA MET B 99 9.273 9.404 1.385 1.00 24.34 C ATOM 1685 C MET B 99 7.959 10.075 0.976 1.00 62.04 C ATOM 1686 O MET B 99 6.882 9.602 1.337 1.00 61.53 O ATOM 1687 CB MET B 99 9.896 10.090 2.632 1.00 1.53 C ATOM 1688 CG MET B 99 8.989 10.157 3.880 1.00 11.14 C ATOM 1689 SD MET B 99 7.736 11.453 3.787 1.00 24.50 S ATOM 1690 CE MET B 99 8.745 12.932 3.752 1.00 33.33 C ATOM 0 H MET B 99 11.051 10.015 0.450 1.00 52.41 H new ATOM 0 HA MET B 99 9.040 8.370 1.639 1.00 24.34 H new ATOM 0 HB2 MET B 99 10.810 9.559 2.898 1.00 1.53 H new ATOM 0 HB3 MET B 99 10.184 11.105 2.360 1.00 1.53 H new ATOM 0 HG2 MET B 99 8.496 9.194 4.014 1.00 11.14 H new ATOM 0 HG3 MET B 99 9.608 10.323 4.762 1.00 11.14 H new ATOM 0 HE1 MET B 99 8.163 13.778 4.117 1.00 33.33 H new ATOM 0 HE2 MET B 99 9.619 12.791 4.388 1.00 33.33 H new ATOM 0 HE3 MET B 99 9.068 13.128 2.730 1.00 33.33 H new ATOM 1700 N GLU B 100 8.064 11.168 0.201 1.00 41.32 N ATOM 1701 CA GLU B 100 6.897 11.921 -0.289 1.00 64.04 C ATOM 1702 C GLU B 100 6.125 11.073 -1.318 1.00 74.20 C ATOM 1703 O GLU B 100 4.894 11.091 -1.354 1.00 73.25 O ATOM 1704 CB GLU B 100 7.356 13.265 -0.922 1.00 2.40 C ATOM 1705 CG GLU B 100 6.238 14.317 -1.086 1.00 42.34 C ATOM 1706 CD GLU B 100 5.677 14.815 0.260 1.00 34.51 C ATOM 1707 OE1 GLU B 100 6.405 15.523 0.979 1.00 14.14 O ATOM 1708 OE2 GLU B 100 4.516 14.508 0.605 1.00 2.04 O ATOM 0 H GLU B 100 8.958 11.554 -0.103 1.00 41.32 H new ATOM 0 HA GLU B 100 6.235 12.144 0.548 1.00 64.04 H new ATOM 0 HB2 GLU B 100 8.148 13.690 -0.305 1.00 2.40 H new ATOM 0 HB3 GLU B 100 7.790 13.060 -1.901 1.00 2.40 H new ATOM 0 HG2 GLU B 100 6.626 15.166 -1.648 1.00 42.34 H new ATOM 0 HG3 GLU B 100 5.427 13.888 -1.675 1.00 42.34 H new ATOM 1715 N ARG B 101 6.898 10.324 -2.135 1.00 32.55 N ATOM 1716 CA ARG B 101 6.363 9.379 -3.138 1.00 62.40 C ATOM 1717 C ARG B 101 5.676 8.192 -2.447 1.00 63.44 C ATOM 1718 O ARG B 101 4.613 7.741 -2.873 1.00 41.22 O ATOM 1719 CB ARG B 101 7.503 8.882 -4.060 1.00 21.34 C ATOM 1720 CG ARG B 101 8.058 9.961 -5.018 1.00 72.22 C ATOM 1721 CD ARG B 101 9.263 9.460 -5.834 1.00 5.43 C ATOM 1722 NE ARG B 101 8.989 8.171 -6.499 1.00 42.04 N ATOM 1723 CZ ARG B 101 8.593 8.001 -7.771 1.00 24.55 C ATOM 1724 NH1 ARG B 101 8.377 9.042 -8.581 1.00 24.22 N ATOM 1725 NH2 ARG B 101 8.432 6.769 -8.235 1.00 14.04 N ATOM 0 H ARG B 101 7.917 10.359 -2.116 1.00 32.55 H new ATOM 0 HA ARG B 101 5.621 9.897 -3.745 1.00 62.40 H new ATOM 0 HB2 ARG B 101 8.318 8.507 -3.441 1.00 21.34 H new ATOM 0 HB3 ARG B 101 7.138 8.041 -4.650 1.00 21.34 H new ATOM 0 HG2 ARG B 101 7.269 10.278 -5.699 1.00 72.22 H new ATOM 0 HG3 ARG B 101 8.353 10.838 -4.441 1.00 72.22 H new ATOM 0 HD2 ARG B 101 9.527 10.205 -6.585 1.00 5.43 H new ATOM 0 HD3 ARG B 101 10.125 9.351 -5.176 1.00 5.43 H new ATOM 0 HE ARG B 101 9.112 7.328 -5.938 1.00 42.04 H new ATOM 0 HH11 ARG B 101 8.513 9.993 -8.237 1.00 24.22 H new ATOM 0 HH12 ARG B 101 8.077 8.886 -9.543 1.00 24.22 H new ATOM 0 HH21 ARG B 101 8.608 5.968 -7.628 1.00 14.04 H new ATOM 0 HH22 ARG B 101 8.132 6.622 -9.199 1.00 14.04 H new ATOM 1739 N LEU B 102 6.297 7.731 -1.353 1.00 14.45 N ATOM 1740 CA LEU B 102 5.797 6.627 -0.517 1.00 42.41 C ATOM 1741 C LEU B 102 4.430 6.998 0.096 1.00 2.43 C ATOM 1742 O LEU B 102 3.487 6.200 0.059 1.00 4.23 O ATOM 1743 CB LEU B 102 6.850 6.324 0.581 1.00 65.44 C ATOM 1744 CG LEU B 102 6.524 5.193 1.601 1.00 24.15 C ATOM 1745 CD1 LEU B 102 6.302 3.840 0.912 1.00 13.24 C ATOM 1746 CD2 LEU B 102 7.635 5.094 2.649 1.00 40.00 C ATOM 0 H LEU B 102 7.177 8.121 -1.017 1.00 14.45 H new ATOM 0 HA LEU B 102 5.648 5.732 -1.122 1.00 42.41 H new ATOM 0 HB2 LEU B 102 7.788 6.070 0.086 1.00 65.44 H new ATOM 0 HB3 LEU B 102 7.024 7.242 1.142 1.00 65.44 H new ATOM 0 HG LEU B 102 5.589 5.454 2.097 1.00 24.15 H new ATOM 0 HD11 LEU B 102 6.078 3.082 1.662 1.00 13.24 H new ATOM 0 HD12 LEU B 102 5.467 3.919 0.215 1.00 13.24 H new ATOM 0 HD13 LEU B 102 7.203 3.556 0.368 1.00 13.24 H new ATOM 0 HD21 LEU B 102 7.397 4.300 3.357 1.00 40.00 H new ATOM 0 HD22 LEU B 102 8.581 4.869 2.156 1.00 40.00 H new ATOM 0 HD23 LEU B 102 7.719 6.042 3.181 1.00 40.00 H new ATOM 1758 N LYS B 103 4.341 8.244 0.619 1.00 14.52 N ATOM 1759 CA LYS B 103 3.083 8.836 1.116 1.00 32.34 C ATOM 1760 C LYS B 103 2.031 8.887 0.009 1.00 71.41 C ATOM 1761 O LYS B 103 0.921 8.394 0.182 1.00 43.42 O ATOM 1762 CB LYS B 103 3.319 10.271 1.637 1.00 25.53 C ATOM 1763 CG LYS B 103 4.188 10.396 2.898 1.00 33.34 C ATOM 1764 CD LYS B 103 4.507 11.877 3.211 1.00 41.22 C ATOM 1765 CE LYS B 103 3.245 12.748 3.346 1.00 11.13 C ATOM 1766 NZ LYS B 103 3.576 14.192 3.453 1.00 11.33 N ATOM 0 H LYS B 103 5.144 8.866 0.707 1.00 14.52 H new ATOM 0 HA LYS B 103 2.727 8.205 1.930 1.00 32.34 H new ATOM 0 HB2 LYS B 103 3.783 10.853 0.841 1.00 25.53 H new ATOM 0 HB3 LYS B 103 2.350 10.726 1.841 1.00 25.53 H new ATOM 0 HG2 LYS B 103 3.671 9.945 3.745 1.00 33.34 H new ATOM 0 HG3 LYS B 103 5.117 9.842 2.760 1.00 33.34 H new ATOM 0 HD2 LYS B 103 5.080 11.932 4.136 1.00 41.22 H new ATOM 0 HD3 LYS B 103 5.139 12.282 2.420 1.00 41.22 H new ATOM 0 HE2 LYS B 103 2.599 12.587 2.483 1.00 11.13 H new ATOM 0 HE3 LYS B 103 2.683 12.438 4.227 1.00 11.13 H new ATOM 0 HZ1 LYS B 103 2.718 14.728 3.694 1.00 11.33 H new ATOM 0 HZ2 LYS B 103 4.291 14.330 4.196 1.00 11.33 H new ATOM 0 HZ3 LYS B 103 3.951 14.530 2.544 1.00 11.33 H new ATOM 1780 N ARG B 104 2.427 9.464 -1.141 1.00 50.53 N ATOM 1781 CA ARG B 104 1.533 9.687 -2.286 1.00 73.43 C ATOM 1782 C ARG B 104 0.975 8.359 -2.818 1.00 12.21 C ATOM 1783 O ARG B 104 -0.124 8.318 -3.384 1.00 25.32 O ATOM 1784 CB ARG B 104 2.291 10.448 -3.402 1.00 63.35 C ATOM 1785 CG ARG B 104 1.405 10.886 -4.577 1.00 31.02 C ATOM 1786 CD ARG B 104 2.174 11.602 -5.695 1.00 63.41 C ATOM 1787 NE ARG B 104 1.277 11.985 -6.795 1.00 32.14 N ATOM 1788 CZ ARG B 104 1.668 12.511 -7.966 1.00 31.25 C ATOM 1789 NH1 ARG B 104 2.950 12.732 -8.232 1.00 34.23 N ATOM 1790 NH2 ARG B 104 0.762 12.815 -8.878 1.00 11.22 N ATOM 0 H ARG B 104 3.381 9.789 -1.300 1.00 50.53 H new ATOM 0 HA ARG B 104 0.688 10.291 -1.955 1.00 73.43 H new ATOM 0 HB2 ARG B 104 2.763 11.330 -2.969 1.00 63.35 H new ATOM 0 HB3 ARG B 104 3.091 9.812 -3.782 1.00 63.35 H new ATOM 0 HG2 ARG B 104 0.909 10.009 -4.993 1.00 31.02 H new ATOM 0 HG3 ARG B 104 0.623 11.548 -4.204 1.00 31.02 H new ATOM 0 HD2 ARG B 104 2.662 12.490 -5.294 1.00 63.41 H new ATOM 0 HD3 ARG B 104 2.961 10.950 -6.074 1.00 63.41 H new ATOM 0 HE ARG B 104 0.277 11.839 -6.657 1.00 32.14 H new ATOM 0 HH11 ARG B 104 3.662 12.501 -7.539 1.00 34.23 H new ATOM 0 HH12 ARG B 104 3.223 13.133 -9.129 1.00 34.23 H new ATOM 0 HH21 ARG B 104 -0.227 12.650 -8.690 1.00 11.22 H new ATOM 0 HH22 ARG B 104 1.051 13.215 -9.771 1.00 11.22 H new ATOM 1804 N GLY B 105 1.751 7.277 -2.609 1.00 42.33 N ATOM 1805 CA GLY B 105 1.320 5.932 -2.926 1.00 3.24 C ATOM 1806 C GLY B 105 0.154 5.487 -2.071 1.00 44.30 C ATOM 1807 O GLY B 105 -0.779 4.881 -2.587 1.00 53.23 O ATOM 0 H GLY B 105 2.691 7.328 -2.215 1.00 42.33 H new ATOM 0 HA2 GLY B 105 1.037 5.882 -3.977 1.00 3.24 H new ATOM 0 HA3 GLY B 105 2.153 5.243 -2.787 1.00 3.24 H new ATOM 1811 N ILE B 106 0.200 5.792 -0.758 1.00 13.50 N ATOM 1812 CA ILE B 106 -0.920 5.507 0.156 1.00 13.23 C ATOM 1813 C ILE B 106 -2.176 6.297 -0.269 1.00 5.22 C ATOM 1814 O ILE B 106 -3.258 5.737 -0.279 1.00 33.30 O ATOM 1815 CB ILE B 106 -0.550 5.774 1.684 1.00 44.21 C ATOM 1816 CG1 ILE B 106 0.197 4.546 2.312 1.00 43.12 C ATOM 1817 CG2 ILE B 106 -1.790 6.149 2.553 1.00 71.41 C ATOM 1818 CD1 ILE B 106 1.583 4.249 1.775 1.00 0.15 C ATOM 0 H ILE B 106 1.001 6.235 -0.309 1.00 13.50 H new ATOM 0 HA ILE B 106 -1.138 4.442 0.080 1.00 13.23 H new ATOM 0 HB ILE B 106 0.118 6.635 1.685 1.00 44.21 H new ATOM 0 HG12 ILE B 106 0.275 4.708 3.387 1.00 43.12 H new ATOM 0 HG13 ILE B 106 -0.422 3.660 2.167 1.00 43.12 H new ATOM 0 HG21 ILE B 106 -1.475 6.319 3.583 1.00 71.41 H new ATOM 0 HG22 ILE B 106 -2.249 7.056 2.160 1.00 71.41 H new ATOM 0 HG23 ILE B 106 -2.514 5.335 2.525 1.00 71.41 H new ATOM 0 HD11 ILE B 106 1.993 3.379 2.288 1.00 0.15 H new ATOM 0 HD12 ILE B 106 1.523 4.045 0.706 1.00 0.15 H new ATOM 0 HD13 ILE B 106 2.231 5.109 1.944 1.00 0.15 H new ATOM 1830 N ILE B 107 -2.011 7.580 -0.658 1.00 31.02 N ATOM 1831 CA ILE B 107 -3.143 8.426 -1.123 1.00 12.01 C ATOM 1832 C ILE B 107 -3.756 7.832 -2.418 1.00 64.13 C ATOM 1833 O ILE B 107 -4.988 7.738 -2.555 1.00 73.13 O ATOM 1834 CB ILE B 107 -2.703 9.940 -1.343 1.00 62.23 C ATOM 1835 CG1 ILE B 107 -2.539 10.706 0.022 1.00 64.54 C ATOM 1836 CG2 ILE B 107 -3.705 10.699 -2.259 1.00 70.44 C ATOM 1837 CD1 ILE B 107 -1.447 10.199 0.951 1.00 22.21 C ATOM 0 H ILE B 107 -1.109 8.056 -0.661 1.00 31.02 H new ATOM 0 HA ILE B 107 -3.903 8.427 -0.341 1.00 12.01 H new ATOM 0 HB ILE B 107 -1.732 9.912 -1.838 1.00 62.23 H new ATOM 0 HG12 ILE B 107 -2.343 11.756 -0.196 1.00 64.54 H new ATOM 0 HG13 ILE B 107 -3.489 10.663 0.555 1.00 64.54 H new ATOM 0 HG21 ILE B 107 -3.373 11.729 -2.387 1.00 70.44 H new ATOM 0 HG22 ILE B 107 -3.752 10.209 -3.232 1.00 70.44 H new ATOM 0 HG23 ILE B 107 -4.694 10.691 -1.801 1.00 70.44 H new ATOM 0 HD11 ILE B 107 -1.430 10.804 1.857 1.00 22.21 H new ATOM 0 HD12 ILE B 107 -1.645 9.160 1.212 1.00 22.21 H new ATOM 0 HD13 ILE B 107 -0.482 10.269 0.450 1.00 22.21 H new ATOM 1849 N HIS B 108 -2.869 7.397 -3.329 1.00 70.44 N ATOM 1850 CA HIS B 108 -3.258 6.797 -4.614 1.00 63.31 C ATOM 1851 C HIS B 108 -4.029 5.487 -4.370 1.00 54.51 C ATOM 1852 O HIS B 108 -5.123 5.307 -4.895 1.00 60.21 O ATOM 1853 CB HIS B 108 -2.003 6.542 -5.491 1.00 62.40 C ATOM 1854 CG HIS B 108 -2.281 6.088 -6.904 1.00 10.23 C ATOM 1855 ND1 HIS B 108 -1.292 5.627 -7.739 1.00 31.34 N ATOM 1856 CD2 HIS B 108 -3.418 6.055 -7.643 1.00 21.45 C ATOM 1857 CE1 HIS B 108 -1.798 5.342 -8.915 1.00 74.33 C ATOM 1858 NE2 HIS B 108 -3.084 5.594 -8.885 1.00 10.23 N ATOM 0 H HIS B 108 -1.860 7.452 -3.193 1.00 70.44 H new ATOM 0 HA HIS B 108 -3.910 7.489 -5.147 1.00 63.31 H new ATOM 0 HB2 HIS B 108 -1.416 7.460 -5.531 1.00 62.40 H new ATOM 0 HB3 HIS B 108 -1.385 5.790 -5.001 1.00 62.40 H new ATOM 0 HD2 HIS B 108 -4.405 6.340 -7.311 1.00 21.45 H new ATOM 0 HE1 HIS B 108 -1.248 4.964 -9.764 1.00 74.33 H new ATOM 0 HE2 HIS B 108 -3.731 5.467 -9.663 1.00 10.23 H new ATOM 1867 N ALA B 109 -3.460 4.621 -3.517 1.00 14.44 N ATOM 1868 CA ALA B 109 -4.006 3.283 -3.220 1.00 62.54 C ATOM 1869 C ALA B 109 -5.285 3.367 -2.365 1.00 74.45 C ATOM 1870 O ALA B 109 -6.143 2.494 -2.450 1.00 15.24 O ATOM 1871 CB ALA B 109 -2.935 2.426 -2.530 1.00 30.44 C ATOM 0 H ALA B 109 -2.601 4.829 -3.009 1.00 14.44 H new ATOM 0 HA ALA B 109 -4.285 2.810 -4.162 1.00 62.54 H new ATOM 0 HB1 ALA B 109 -3.343 1.439 -2.313 1.00 30.44 H new ATOM 0 HB2 ALA B 109 -2.071 2.325 -3.187 1.00 30.44 H new ATOM 0 HB3 ALA B 109 -2.629 2.905 -1.600 1.00 30.44 H new ATOM 1877 N ARG B 110 -5.393 4.436 -1.558 1.00 72.13 N ATOM 1878 CA ARG B 110 -6.569 4.713 -0.699 1.00 2.22 C ATOM 1879 C ARG B 110 -7.783 5.023 -1.591 1.00 5.44 C ATOM 1880 O ARG B 110 -8.895 4.552 -1.342 1.00 53.12 O ATOM 1881 CB ARG B 110 -6.244 5.920 0.235 1.00 31.40 C ATOM 1882 CG ARG B 110 -7.176 6.147 1.447 1.00 71.24 C ATOM 1883 CD ARG B 110 -7.137 5.007 2.501 1.00 71.20 C ATOM 1884 NE ARG B 110 -7.703 5.438 3.803 1.00 42.22 N ATOM 1885 CZ ARG B 110 -9.009 5.472 4.127 1.00 23.31 C ATOM 1886 NH1 ARG B 110 -9.947 5.109 3.267 1.00 53.45 N ATOM 1887 NH2 ARG B 110 -9.366 5.888 5.333 1.00 5.31 N ATOM 0 H ARG B 110 -4.662 5.143 -1.479 1.00 72.13 H new ATOM 0 HA ARG B 110 -6.803 3.846 -0.082 1.00 2.22 H new ATOM 0 HB2 ARG B 110 -5.228 5.793 0.609 1.00 31.40 H new ATOM 0 HB3 ARG B 110 -6.250 6.827 -0.370 1.00 31.40 H new ATOM 0 HG2 ARG B 110 -6.902 7.084 1.931 1.00 71.24 H new ATOM 0 HG3 ARG B 110 -8.199 6.261 1.088 1.00 71.24 H new ATOM 0 HD2 ARG B 110 -7.696 4.149 2.128 1.00 71.20 H new ATOM 0 HD3 ARG B 110 -6.107 4.679 2.643 1.00 71.20 H new ATOM 0 HE ARG B 110 -7.041 5.736 4.519 1.00 42.22 H new ATOM 0 HH11 ARG B 110 -9.688 4.794 2.332 1.00 53.45 H new ATOM 0 HH12 ARG B 110 -10.929 5.145 3.539 1.00 53.45 H new ATOM 0 HH21 ARG B 110 -8.654 6.178 6.004 1.00 5.31 H new ATOM 0 HH22 ARG B 110 -10.352 5.918 5.591 1.00 5.31 H new ATOM 1901 N ALA B 111 -7.519 5.786 -2.667 1.00 43.14 N ATOM 1902 CA ALA B 111 -8.525 6.153 -3.666 1.00 62.13 C ATOM 1903 C ALA B 111 -8.866 4.939 -4.549 1.00 12.33 C ATOM 1904 O ALA B 111 -10.036 4.705 -4.856 1.00 64.12 O ATOM 1905 CB ALA B 111 -8.015 7.325 -4.518 1.00 41.44 C ATOM 0 H ALA B 111 -6.593 6.165 -2.864 1.00 43.14 H new ATOM 0 HA ALA B 111 -9.436 6.468 -3.157 1.00 62.13 H new ATOM 0 HB1 ALA B 111 -8.769 7.592 -5.258 1.00 41.44 H new ATOM 0 HB2 ALA B 111 -7.818 8.183 -3.876 1.00 41.44 H new ATOM 0 HB3 ALA B 111 -7.096 7.033 -5.025 1.00 41.44 H new ATOM 1911 N LEU B 112 -7.816 4.155 -4.916 1.00 71.10 N ATOM 1912 CA LEU B 112 -7.944 2.933 -5.749 1.00 12.30 C ATOM 1913 C LEU B 112 -8.898 1.916 -5.111 1.00 24.45 C ATOM 1914 O LEU B 112 -9.852 1.473 -5.760 1.00 52.04 O ATOM 1915 CB LEU B 112 -6.546 2.281 -6.006 1.00 24.15 C ATOM 1916 CG LEU B 112 -5.642 3.000 -7.059 1.00 20.40 C ATOM 1917 CD1 LEU B 112 -4.196 2.486 -7.001 1.00 61.43 C ATOM 1918 CD2 LEU B 112 -6.222 2.846 -8.479 1.00 20.01 C ATOM 0 H LEU B 112 -6.855 4.356 -4.640 1.00 71.10 H new ATOM 0 HA LEU B 112 -8.366 3.236 -6.707 1.00 12.30 H new ATOM 0 HB2 LEU B 112 -6.006 2.240 -5.060 1.00 24.15 H new ATOM 0 HB3 LEU B 112 -6.700 1.252 -6.330 1.00 24.15 H new ATOM 0 HG LEU B 112 -5.627 4.061 -6.810 1.00 20.40 H new ATOM 0 HD11 LEU B 112 -3.595 3.007 -7.746 1.00 61.43 H new ATOM 0 HD12 LEU B 112 -3.784 2.670 -6.009 1.00 61.43 H new ATOM 0 HD13 LEU B 112 -4.182 1.416 -7.207 1.00 61.43 H new ATOM 0 HD21 LEU B 112 -5.575 3.355 -9.193 1.00 20.01 H new ATOM 0 HD22 LEU B 112 -6.283 1.788 -8.734 1.00 20.01 H new ATOM 0 HD23 LEU B 112 -7.219 3.286 -8.515 1.00 20.01 H new ATOM 1930 N VAL B 113 -8.649 1.588 -3.823 1.00 44.32 N ATOM 1931 CA VAL B 113 -9.485 0.637 -3.076 1.00 34.02 C ATOM 1932 C VAL B 113 -10.917 1.168 -2.942 1.00 54.12 C ATOM 1933 O VAL B 113 -11.864 0.442 -3.201 1.00 22.32 O ATOM 1934 CB VAL B 113 -8.904 0.281 -1.654 1.00 10.41 C ATOM 1935 CG1 VAL B 113 -9.818 -0.722 -0.905 1.00 5.24 C ATOM 1936 CG2 VAL B 113 -7.472 -0.275 -1.758 1.00 65.24 C ATOM 0 H VAL B 113 -7.873 1.972 -3.284 1.00 44.32 H new ATOM 0 HA VAL B 113 -9.489 -0.287 -3.655 1.00 34.02 H new ATOM 0 HB VAL B 113 -8.871 1.206 -1.079 1.00 10.41 H new ATOM 0 HG11 VAL B 113 -9.389 -0.946 0.071 1.00 5.24 H new ATOM 0 HG12 VAL B 113 -10.808 -0.285 -0.774 1.00 5.24 H new ATOM 0 HG13 VAL B 113 -9.901 -1.641 -1.485 1.00 5.24 H new ATOM 0 HG21 VAL B 113 -7.100 -0.511 -0.761 1.00 65.24 H new ATOM 0 HG22 VAL B 113 -7.476 -1.179 -2.367 1.00 65.24 H new ATOM 0 HG23 VAL B 113 -6.825 0.471 -2.220 1.00 65.24 H new ATOM 1946 N ARG B 114 -11.038 2.469 -2.614 1.00 5.11 N ATOM 1947 CA ARG B 114 -12.336 3.143 -2.386 1.00 34.41 C ATOM 1948 C ARG B 114 -13.273 3.042 -3.614 1.00 2.32 C ATOM 1949 O ARG B 114 -14.472 2.760 -3.475 1.00 2.55 O ATOM 1950 CB ARG B 114 -12.082 4.629 -2.041 1.00 42.40 C ATOM 1951 CG ARG B 114 -13.344 5.447 -1.711 1.00 23.43 C ATOM 1952 CD ARG B 114 -13.046 6.929 -1.426 1.00 11.04 C ATOM 1953 NE ARG B 114 -14.284 7.698 -1.254 1.00 13.12 N ATOM 1954 CZ ARG B 114 -14.425 9.010 -1.478 1.00 31.04 C ATOM 1955 NH1 ARG B 114 -13.404 9.755 -1.901 1.00 31.22 N ATOM 1956 NH2 ARG B 114 -15.614 9.566 -1.302 1.00 63.33 N ATOM 0 H ARG B 114 -10.235 3.087 -2.499 1.00 5.11 H new ATOM 0 HA ARG B 114 -12.834 2.639 -1.558 1.00 34.41 H new ATOM 0 HB2 ARG B 114 -11.403 4.677 -1.189 1.00 42.40 H new ATOM 0 HB3 ARG B 114 -11.572 5.099 -2.882 1.00 42.40 H new ATOM 0 HG2 ARG B 114 -14.043 5.377 -2.544 1.00 23.43 H new ATOM 0 HG3 ARG B 114 -13.837 5.009 -0.843 1.00 23.43 H new ATOM 0 HD2 ARG B 114 -12.435 7.013 -0.527 1.00 11.04 H new ATOM 0 HD3 ARG B 114 -12.465 7.350 -2.247 1.00 11.04 H new ATOM 0 HE ARG B 114 -15.108 7.188 -0.936 1.00 13.12 H new ATOM 0 HH11 ARG B 114 -12.492 9.327 -2.061 1.00 31.22 H new ATOM 0 HH12 ARG B 114 -13.535 10.753 -2.065 1.00 31.22 H new ATOM 0 HH21 ARG B 114 -16.404 8.996 -1.000 1.00 63.33 H new ATOM 0 HH22 ARG B 114 -15.740 10.565 -1.468 1.00 63.33 H new ATOM 1970 N GLU B 115 -12.690 3.259 -4.805 1.00 15.22 N ATOM 1971 CA GLU B 115 -13.422 3.236 -6.086 1.00 21.24 C ATOM 1972 C GLU B 115 -13.793 1.801 -6.476 1.00 24.14 C ATOM 1973 O GLU B 115 -14.923 1.543 -6.914 1.00 23.22 O ATOM 1974 CB GLU B 115 -12.560 3.884 -7.197 1.00 22.53 C ATOM 1975 CG GLU B 115 -12.314 5.390 -7.009 1.00 1.03 C ATOM 1976 CD GLU B 115 -11.322 5.965 -8.034 1.00 53.41 C ATOM 1977 OE1 GLU B 115 -11.630 5.941 -9.245 1.00 60.33 O ATOM 1978 OE2 GLU B 115 -10.222 6.410 -7.642 1.00 61.21 O ATOM 0 H GLU B 115 -11.695 3.456 -4.908 1.00 15.22 H new ATOM 0 HA GLU B 115 -14.343 3.807 -5.968 1.00 21.24 H new ATOM 0 HB2 GLU B 115 -11.598 3.373 -7.239 1.00 22.53 H new ATOM 0 HB3 GLU B 115 -13.048 3.725 -8.159 1.00 22.53 H new ATOM 0 HG2 GLU B 115 -13.262 5.921 -7.091 1.00 1.03 H new ATOM 0 HG3 GLU B 115 -11.934 5.569 -6.003 1.00 1.03 H new ATOM 1985 N CYS B 116 -12.829 0.870 -6.300 1.00 53.23 N ATOM 1986 CA CYS B 116 -13.026 -0.549 -6.643 1.00 71.21 C ATOM 1987 C CYS B 116 -14.049 -1.222 -5.710 1.00 4.51 C ATOM 1988 O CYS B 116 -14.783 -2.095 -6.155 1.00 32.21 O ATOM 1989 CB CYS B 116 -11.691 -1.313 -6.609 1.00 33.40 C ATOM 1990 SG CYS B 116 -10.426 -0.656 -7.705 1.00 23.01 S ATOM 0 H CYS B 116 -11.906 1.081 -5.921 1.00 53.23 H new ATOM 0 HA CYS B 116 -13.423 -0.584 -7.658 1.00 71.21 H new ATOM 0 HB2 CYS B 116 -11.309 -1.305 -5.588 1.00 33.40 H new ATOM 0 HB3 CYS B 116 -11.876 -2.354 -6.872 1.00 33.40 H new ATOM 0 HG CYS B 116 -9.897 0.404 -7.170 1.00 23.01 H new ATOM 1996 N LEU B 117 -14.109 -0.765 -4.430 1.00 1.21 N ATOM 1997 CA LEU B 117 -15.075 -1.261 -3.407 1.00 30.02 C ATOM 1998 C LEU B 117 -16.515 -1.255 -3.958 1.00 45.53 C ATOM 1999 O LEU B 117 -17.278 -2.190 -3.712 1.00 14.53 O ATOM 2000 CB LEU B 117 -15.028 -0.390 -2.104 1.00 74.13 C ATOM 2001 CG LEU B 117 -13.875 -0.649 -1.079 1.00 74.14 C ATOM 2002 CD1 LEU B 117 -13.803 0.495 -0.048 1.00 41.22 C ATOM 2003 CD2 LEU B 117 -14.035 -2.007 -0.360 1.00 11.22 C ATOM 0 H LEU B 117 -13.486 -0.039 -4.076 1.00 1.21 H new ATOM 0 HA LEU B 117 -14.781 -2.282 -3.164 1.00 30.02 H new ATOM 0 HB2 LEU B 117 -14.976 0.656 -2.405 1.00 74.13 H new ATOM 0 HB3 LEU B 117 -15.975 -0.524 -1.580 1.00 74.13 H new ATOM 0 HG LEU B 117 -12.942 -0.683 -1.642 1.00 74.14 H new ATOM 0 HD11 LEU B 117 -12.996 0.299 0.657 1.00 41.22 H new ATOM 0 HD12 LEU B 117 -13.614 1.437 -0.563 1.00 41.22 H new ATOM 0 HD13 LEU B 117 -14.748 0.559 0.491 1.00 41.22 H new ATOM 0 HD21 LEU B 117 -13.213 -2.146 0.342 1.00 11.22 H new ATOM 0 HD22 LEU B 117 -14.981 -2.023 0.181 1.00 11.22 H new ATOM 0 HD23 LEU B 117 -14.024 -2.812 -1.095 1.00 11.22 H new