USER MOD reduce.3.24.130724 H: found=0, std=0, add=696, rem=0, adj=20 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 96 LYS NZ :NH3+ -158:sc= -0.855 (180deg=-2.62!) USER MOD Set 1.2: B 92 TYR OH : rot -37:sc= -1.07 USER MOD Single : A 75 THR OG1 : rot 23:sc= 0.0906 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 84 MET CE :methyl -156:sc= -0.227 (180deg=-1.1) USER MOD Single : A 86 LYS NZ :NH3+ -172:sc= 0.764 (180deg=0.666) USER MOD Single : A 91 THR OG1 : rot 90:sc= 1.18 USER MOD Single : A 92 TYR OH : rot -40:sc= 0.432 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl 160:sc= -0.141 (180deg=-0.701) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 HIS : no HD1:sc= -0.657 X(o=-0.66,f=-0.36) USER MOD Single : B 75 THR OG1 : rot 30:sc= 0.153 USER MOD Single : B 79 SER OG : rot 66:sc= 0.275 USER MOD Single : B 84 MET CE :methyl 174:sc= -1.87 (180deg=-1.89!) USER MOD Single : B 86 LYS NZ :NH3+ 157:sc= 0.551 (180deg=0.359) USER MOD Single : B 91 THR OG1 : rot 79:sc= 1.09 USER MOD Single : B 95 SER OG : rot 180:sc= 0 USER MOD Single : B 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 97 SER OG : rot 180:sc= 0 USER MOD Single : B 99 MET CE :methyl 135:sc= -0.378 (180deg=-1.42) USER MOD Single : B 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 108 HIS : no HD1:sc= -0.0755 X(o=-0.075,f=-0.0055) USER MOD Single : B 116 CYS SG : rot -24:sc= 0.167 USER MOD ----------------------------------------------------------------- ATOM 241 N THR A 75 -12.317 -4.402 2.233 1.00 33.10 N ATOM 242 CA THR A 75 -12.178 -3.137 3.009 1.00 52.43 C ATOM 243 C THR A 75 -11.018 -3.206 4.024 1.00 71.54 C ATOM 244 O THR A 75 -10.486 -2.170 4.453 1.00 32.04 O ATOM 245 CB THR A 75 -13.517 -2.773 3.737 1.00 5.03 C ATOM 246 OG1 THR A 75 -14.594 -2.886 2.801 1.00 32.51 O ATOM 247 CG2 THR A 75 -13.516 -1.337 4.311 1.00 73.34 C ATOM 0 HA THR A 75 -11.945 -2.350 2.292 1.00 52.43 H new ATOM 0 HB THR A 75 -13.632 -3.463 4.573 1.00 5.03 H new ATOM 0 HG1 THR A 75 -14.334 -3.491 2.075 1.00 32.51 H new ATOM 0 HG21 THR A 75 -14.469 -1.141 4.804 1.00 73.34 H new ATOM 0 HG22 THR A 75 -12.706 -1.234 5.033 1.00 73.34 H new ATOM 0 HG23 THR A 75 -13.373 -0.622 3.501 1.00 73.34 H new ATOM 255 N ASP A 76 -10.621 -4.442 4.378 1.00 74.13 N ATOM 256 CA ASP A 76 -9.420 -4.717 5.190 1.00 22.04 C ATOM 257 C ASP A 76 -8.166 -4.096 4.552 1.00 51.44 C ATOM 258 O ASP A 76 -7.302 -3.565 5.255 1.00 73.12 O ATOM 259 CB ASP A 76 -9.224 -6.246 5.345 1.00 70.33 C ATOM 260 CG ASP A 76 -10.292 -6.908 6.228 1.00 13.44 C ATOM 261 OD1 ASP A 76 -11.424 -7.125 5.748 1.00 61.01 O ATOM 262 OD2 ASP A 76 -9.998 -7.223 7.405 1.00 73.24 O ATOM 0 H ASP A 76 -11.128 -5.285 4.107 1.00 74.13 H new ATOM 0 HA ASP A 76 -9.565 -4.267 6.172 1.00 22.04 H new ATOM 0 HB2 ASP A 76 -9.240 -6.709 4.358 1.00 70.33 H new ATOM 0 HB3 ASP A 76 -8.240 -6.438 5.772 1.00 70.33 H new ATOM 267 N LEU A 77 -8.101 -4.154 3.208 1.00 72.14 N ATOM 268 CA LEU A 77 -6.992 -3.582 2.432 1.00 33.44 C ATOM 269 C LEU A 77 -6.930 -2.059 2.622 1.00 10.54 C ATOM 270 O LEU A 77 -5.851 -1.517 2.816 1.00 73.30 O ATOM 271 CB LEU A 77 -7.107 -3.949 0.930 1.00 45.50 C ATOM 272 CG LEU A 77 -5.959 -3.411 0.015 1.00 73.51 C ATOM 273 CD1 LEU A 77 -4.559 -3.822 0.521 1.00 1.23 C ATOM 274 CD2 LEU A 77 -6.159 -3.854 -1.443 1.00 61.21 C ATOM 0 H LEU A 77 -8.817 -4.599 2.633 1.00 72.14 H new ATOM 0 HA LEU A 77 -6.063 -4.013 2.805 1.00 33.44 H new ATOM 0 HB2 LEU A 77 -7.140 -5.035 0.841 1.00 45.50 H new ATOM 0 HB3 LEU A 77 -8.057 -3.569 0.553 1.00 45.50 H new ATOM 0 HG LEU A 77 -6.010 -2.323 0.058 1.00 73.51 H new ATOM 0 HD11 LEU A 77 -3.798 -3.423 -0.150 1.00 1.23 H new ATOM 0 HD12 LEU A 77 -4.403 -3.424 1.524 1.00 1.23 H new ATOM 0 HD13 LEU A 77 -4.486 -4.909 0.547 1.00 1.23 H new ATOM 0 HD21 LEU A 77 -5.346 -3.465 -2.056 1.00 61.21 H new ATOM 0 HD22 LEU A 77 -6.164 -4.943 -1.495 1.00 61.21 H new ATOM 0 HD23 LEU A 77 -7.109 -3.468 -1.813 1.00 61.21 H new ATOM 286 N LEU A 78 -8.111 -1.403 2.623 1.00 71.44 N ATOM 287 CA LEU A 78 -8.227 0.060 2.840 1.00 13.12 C ATOM 288 C LEU A 78 -7.571 0.457 4.178 1.00 5.21 C ATOM 289 O LEU A 78 -6.851 1.461 4.259 1.00 31.41 O ATOM 290 CB LEU A 78 -9.717 0.505 2.825 1.00 3.21 C ATOM 291 CG LEU A 78 -9.969 2.046 2.891 1.00 41.20 C ATOM 292 CD1 LEU A 78 -9.475 2.757 1.605 1.00 1.54 C ATOM 293 CD2 LEU A 78 -11.455 2.353 3.184 1.00 71.54 C ATOM 0 H LEU A 78 -9.007 -1.867 2.475 1.00 71.44 H new ATOM 0 HA LEU A 78 -7.707 0.566 2.026 1.00 13.12 H new ATOM 0 HB2 LEU A 78 -10.183 0.119 1.918 1.00 3.21 H new ATOM 0 HB3 LEU A 78 -10.225 0.037 3.668 1.00 3.21 H new ATOM 0 HG LEU A 78 -9.384 2.445 3.720 1.00 41.20 H new ATOM 0 HD11 LEU A 78 -9.666 3.827 1.685 1.00 1.54 H new ATOM 0 HD12 LEU A 78 -8.405 2.587 1.483 1.00 1.54 H new ATOM 0 HD13 LEU A 78 -10.006 2.357 0.741 1.00 1.54 H new ATOM 0 HD21 LEU A 78 -11.602 3.432 3.225 1.00 71.54 H new ATOM 0 HD22 LEU A 78 -12.076 1.931 2.394 1.00 71.54 H new ATOM 0 HD23 LEU A 78 -11.736 1.912 4.141 1.00 71.54 H new ATOM 305 N SER A 79 -7.793 -0.390 5.198 1.00 35.11 N ATOM 306 CA SER A 79 -7.236 -0.198 6.541 1.00 23.05 C ATOM 307 C SER A 79 -5.702 -0.353 6.524 1.00 2.44 C ATOM 308 O SER A 79 -4.999 0.475 7.101 1.00 64.14 O ATOM 309 CB SER A 79 -7.867 -1.209 7.522 1.00 32.33 C ATOM 310 OG SER A 79 -9.283 -1.114 7.524 1.00 42.42 O ATOM 0 H SER A 79 -8.366 -1.229 5.110 1.00 35.11 H new ATOM 0 HA SER A 79 -7.471 0.813 6.873 1.00 23.05 H new ATOM 0 HB2 SER A 79 -7.569 -2.221 7.246 1.00 32.33 H new ATOM 0 HB3 SER A 79 -7.487 -1.028 8.528 1.00 32.33 H new ATOM 0 HG SER A 79 -9.654 -1.767 8.153 1.00 42.42 H new ATOM 316 N VAL A 80 -5.201 -1.400 5.826 1.00 41.41 N ATOM 317 CA VAL A 80 -3.751 -1.703 5.734 1.00 34.05 C ATOM 318 C VAL A 80 -2.990 -0.537 5.066 1.00 62.14 C ATOM 319 O VAL A 80 -1.924 -0.135 5.536 1.00 72.44 O ATOM 320 CB VAL A 80 -3.491 -3.052 4.949 1.00 55.14 C ATOM 321 CG1 VAL A 80 -1.978 -3.336 4.773 1.00 34.41 C ATOM 322 CG2 VAL A 80 -4.196 -4.247 5.640 1.00 55.24 C ATOM 0 H VAL A 80 -5.788 -2.057 5.312 1.00 41.41 H new ATOM 0 HA VAL A 80 -3.376 -1.828 6.750 1.00 34.05 H new ATOM 0 HB VAL A 80 -3.920 -2.930 3.954 1.00 55.14 H new ATOM 0 HG11 VAL A 80 -1.844 -4.271 4.229 1.00 34.41 H new ATOM 0 HG12 VAL A 80 -1.518 -2.522 4.213 1.00 34.41 H new ATOM 0 HG13 VAL A 80 -1.506 -3.415 5.752 1.00 34.41 H new ATOM 0 HG21 VAL A 80 -3.999 -5.160 5.078 1.00 55.24 H new ATOM 0 HG22 VAL A 80 -3.815 -4.357 6.655 1.00 55.24 H new ATOM 0 HG23 VAL A 80 -5.270 -4.066 5.673 1.00 55.24 H new ATOM 332 N ILE A 81 -3.574 0.003 3.980 1.00 54.51 N ATOM 333 CA ILE A 81 -3.037 1.176 3.259 1.00 52.53 C ATOM 334 C ILE A 81 -2.852 2.378 4.215 1.00 54.21 C ATOM 335 O ILE A 81 -1.774 2.977 4.279 1.00 4.33 O ATOM 336 CB ILE A 81 -3.974 1.577 2.055 1.00 43.34 C ATOM 337 CG1 ILE A 81 -4.141 0.398 1.044 1.00 55.12 C ATOM 338 CG2 ILE A 81 -3.462 2.833 1.330 1.00 73.53 C ATOM 339 CD1 ILE A 81 -2.847 -0.167 0.470 1.00 53.41 C ATOM 0 H ILE A 81 -4.436 -0.363 3.575 1.00 54.51 H new ATOM 0 HA ILE A 81 -2.061 0.899 2.860 1.00 52.53 H new ATOM 0 HB ILE A 81 -4.952 1.806 2.479 1.00 43.34 H new ATOM 0 HG12 ILE A 81 -4.680 -0.409 1.541 1.00 55.12 H new ATOM 0 HG13 ILE A 81 -4.766 0.737 0.218 1.00 55.12 H new ATOM 0 HG21 ILE A 81 -4.134 3.077 0.507 1.00 73.53 H new ATOM 0 HG22 ILE A 81 -3.427 3.668 2.030 1.00 73.53 H new ATOM 0 HG23 ILE A 81 -2.462 2.645 0.939 1.00 73.53 H new ATOM 0 HD11 ILE A 81 -3.079 -0.979 -0.219 1.00 53.41 H new ATOM 0 HD12 ILE A 81 -2.312 0.619 -0.063 1.00 53.41 H new ATOM 0 HD13 ILE A 81 -2.224 -0.545 1.281 1.00 53.41 H new ATOM 351 N GLU A 82 -3.913 2.673 4.982 1.00 22.34 N ATOM 352 CA GLU A 82 -3.945 3.798 5.938 1.00 74.23 C ATOM 353 C GLU A 82 -2.971 3.610 7.103 1.00 60.45 C ATOM 354 O GLU A 82 -2.340 4.573 7.553 1.00 33.13 O ATOM 355 CB GLU A 82 -5.385 3.995 6.469 1.00 44.34 C ATOM 356 CG GLU A 82 -6.387 4.445 5.396 1.00 24.25 C ATOM 357 CD GLU A 82 -6.045 5.817 4.779 1.00 44.30 C ATOM 358 OE1 GLU A 82 -5.162 5.890 3.888 1.00 61.34 O ATOM 359 OE2 GLU A 82 -6.644 6.835 5.187 1.00 62.13 O ATOM 0 H GLU A 82 -4.780 2.136 4.958 1.00 22.34 H new ATOM 0 HA GLU A 82 -3.624 4.690 5.400 1.00 74.23 H new ATOM 0 HB2 GLU A 82 -5.732 3.059 6.906 1.00 44.34 H new ATOM 0 HB3 GLU A 82 -5.369 4.734 7.270 1.00 44.34 H new ATOM 0 HG2 GLU A 82 -6.421 3.697 4.604 1.00 24.25 H new ATOM 0 HG3 GLU A 82 -7.383 4.490 5.835 1.00 24.25 H new ATOM 366 N GLU A 83 -2.862 2.373 7.592 1.00 64.54 N ATOM 367 CA GLU A 83 -2.004 2.053 8.735 1.00 11.22 C ATOM 368 C GLU A 83 -0.516 2.145 8.344 1.00 72.33 C ATOM 369 O GLU A 83 0.271 2.757 9.074 1.00 53.30 O ATOM 370 CB GLU A 83 -2.371 0.672 9.328 1.00 43.41 C ATOM 371 CG GLU A 83 -3.741 0.617 10.025 1.00 44.44 C ATOM 372 CD GLU A 83 -3.857 1.614 11.190 1.00 72.31 C ATOM 373 OE1 GLU A 83 -3.296 1.341 12.272 1.00 23.31 O ATOM 374 OE2 GLU A 83 -4.483 2.688 11.018 1.00 64.44 O ATOM 0 H GLU A 83 -3.362 1.570 7.210 1.00 64.54 H new ATOM 0 HA GLU A 83 -2.175 2.792 9.518 1.00 11.22 H new ATOM 0 HB2 GLU A 83 -2.355 -0.068 8.528 1.00 43.41 H new ATOM 0 HB3 GLU A 83 -1.602 0.383 10.044 1.00 43.41 H new ATOM 0 HG2 GLU A 83 -4.523 0.825 9.295 1.00 44.44 H new ATOM 0 HG3 GLU A 83 -3.914 -0.393 10.398 1.00 44.44 H new ATOM 381 N MET A 84 -0.152 1.571 7.176 1.00 75.14 N ATOM 382 CA MET A 84 1.198 1.730 6.588 1.00 65.33 C ATOM 383 C MET A 84 1.517 3.219 6.357 1.00 4.31 C ATOM 384 O MET A 84 2.640 3.658 6.610 1.00 64.11 O ATOM 385 CB MET A 84 1.337 0.961 5.245 1.00 11.11 C ATOM 386 CG MET A 84 1.343 -0.560 5.362 1.00 25.30 C ATOM 387 SD MET A 84 1.671 -1.388 3.788 1.00 22.33 S ATOM 388 CE MET A 84 0.352 -0.787 2.724 1.00 45.41 C ATOM 0 H MET A 84 -0.778 0.990 6.619 1.00 75.14 H new ATOM 0 HA MET A 84 1.908 1.309 7.300 1.00 65.33 H new ATOM 0 HB2 MET A 84 0.517 1.255 4.590 1.00 11.11 H new ATOM 0 HB3 MET A 84 2.261 1.275 4.759 1.00 11.11 H new ATOM 0 HG2 MET A 84 2.098 -0.860 6.088 1.00 25.30 H new ATOM 0 HG3 MET A 84 0.379 -0.893 5.748 1.00 25.30 H new ATOM 0 HE1 MET A 84 0.181 -1.501 1.918 1.00 45.41 H new ATOM 0 HE2 MET A 84 -0.562 -0.672 3.307 1.00 45.41 H new ATOM 0 HE3 MET A 84 0.636 0.176 2.301 1.00 45.41 H new ATOM 398 N GLY A 85 0.488 3.989 5.931 1.00 55.43 N ATOM 399 CA GLY A 85 0.617 5.434 5.675 1.00 41.41 C ATOM 400 C GLY A 85 0.974 6.265 6.903 1.00 31.25 C ATOM 401 O GLY A 85 1.404 7.414 6.777 1.00 3.03 O ATOM 0 H GLY A 85 -0.448 3.624 5.757 1.00 55.43 H new ATOM 0 HA2 GLY A 85 1.381 5.588 4.913 1.00 41.41 H new ATOM 0 HA3 GLY A 85 -0.323 5.802 5.263 1.00 41.41 H new ATOM 405 N LYS A 86 0.784 5.676 8.089 1.00 23.21 N ATOM 406 CA LYS A 86 1.184 6.287 9.366 1.00 63.12 C ATOM 407 C LYS A 86 2.607 5.850 9.747 1.00 34.35 C ATOM 408 O LYS A 86 3.365 6.623 10.345 1.00 24.32 O ATOM 409 CB LYS A 86 0.201 5.878 10.482 1.00 4.14 C ATOM 410 CG LYS A 86 -1.267 6.262 10.205 1.00 20.33 C ATOM 411 CD LYS A 86 -2.220 5.803 11.335 1.00 74.53 C ATOM 412 CE LYS A 86 -3.697 6.098 11.031 1.00 11.21 C ATOM 413 NZ LYS A 86 -4.191 5.351 9.844 1.00 64.22 N ATOM 0 H LYS A 86 0.348 4.760 8.193 1.00 23.21 H new ATOM 0 HA LYS A 86 1.165 7.371 9.250 1.00 63.12 H new ATOM 0 HB2 LYS A 86 0.261 4.799 10.626 1.00 4.14 H new ATOM 0 HB3 LYS A 86 0.516 6.343 11.416 1.00 4.14 H new ATOM 0 HG2 LYS A 86 -1.341 7.343 10.088 1.00 20.33 H new ATOM 0 HG3 LYS A 86 -1.585 5.817 9.262 1.00 20.33 H new ATOM 0 HD2 LYS A 86 -2.095 4.732 11.496 1.00 74.53 H new ATOM 0 HD3 LYS A 86 -1.940 6.300 12.264 1.00 74.53 H new ATOM 0 HE2 LYS A 86 -4.303 5.838 11.899 1.00 11.21 H new ATOM 0 HE3 LYS A 86 -3.824 7.167 10.863 1.00 11.21 H new ATOM 0 HZ1 LYS A 86 -5.145 5.683 9.598 1.00 64.22 H new ATOM 0 HZ2 LYS A 86 -3.550 5.512 9.041 1.00 64.22 H new ATOM 0 HZ3 LYS A 86 -4.223 4.335 10.062 1.00 64.22 H new ATOM 427 N GLU A 87 2.956 4.608 9.360 1.00 73.34 N ATOM 428 CA GLU A 87 4.223 3.953 9.734 1.00 11.10 C ATOM 429 C GLU A 87 5.393 4.401 8.838 1.00 61.14 C ATOM 430 O GLU A 87 6.547 4.070 9.115 1.00 23.33 O ATOM 431 CB GLU A 87 4.036 2.415 9.690 1.00 72.35 C ATOM 432 CG GLU A 87 2.921 1.903 10.624 1.00 2.33 C ATOM 433 CD GLU A 87 2.691 0.386 10.532 1.00 53.13 C ATOM 434 OE1 GLU A 87 2.194 -0.085 9.481 1.00 72.15 O ATOM 435 OE2 GLU A 87 2.992 -0.339 11.511 1.00 42.30 O ATOM 0 H GLU A 87 2.359 4.026 8.773 1.00 73.34 H new ATOM 0 HA GLU A 87 4.482 4.255 10.749 1.00 11.10 H new ATOM 0 HB2 GLU A 87 3.809 2.114 8.667 1.00 72.35 H new ATOM 0 HB3 GLU A 87 4.976 1.935 9.962 1.00 72.35 H new ATOM 0 HG2 GLU A 87 3.172 2.162 11.652 1.00 2.33 H new ATOM 0 HG3 GLU A 87 1.991 2.418 10.383 1.00 2.33 H new ATOM 442 N ILE A 88 5.079 5.173 7.783 1.00 74.23 N ATOM 443 CA ILE A 88 6.086 5.802 6.907 1.00 65.44 C ATOM 444 C ILE A 88 6.893 6.861 7.683 1.00 64.40 C ATOM 445 O ILE A 88 8.095 6.995 7.480 1.00 12.01 O ATOM 446 CB ILE A 88 5.404 6.458 5.646 1.00 0.22 C ATOM 447 CG1 ILE A 88 4.679 5.367 4.794 1.00 21.22 C ATOM 448 CG2 ILE A 88 6.425 7.250 4.781 1.00 73.21 C ATOM 449 CD1 ILE A 88 3.867 5.897 3.631 1.00 2.44 C ATOM 0 H ILE A 88 4.118 5.380 7.512 1.00 74.23 H new ATOM 0 HA ILE A 88 6.767 5.023 6.565 1.00 65.44 H new ATOM 0 HB ILE A 88 4.664 7.174 6.003 1.00 0.22 H new ATOM 0 HG12 ILE A 88 5.426 4.672 4.409 1.00 21.22 H new ATOM 0 HG13 ILE A 88 4.019 4.796 5.448 1.00 21.22 H new ATOM 0 HG21 ILE A 88 5.914 7.686 3.923 1.00 73.21 H new ATOM 0 HG22 ILE A 88 6.870 8.044 5.380 1.00 73.21 H new ATOM 0 HG23 ILE A 88 7.208 6.576 4.433 1.00 73.21 H new ATOM 0 HD11 ILE A 88 3.403 5.065 3.102 1.00 2.44 H new ATOM 0 HD12 ILE A 88 3.092 6.567 4.004 1.00 2.44 H new ATOM 0 HD13 ILE A 88 4.520 6.441 2.949 1.00 2.44 H new ATOM 461 N ARG A 89 6.206 7.595 8.579 1.00 71.15 N ATOM 462 CA ARG A 89 6.809 8.704 9.340 1.00 50.51 C ATOM 463 C ARG A 89 7.904 8.221 10.348 1.00 71.03 C ATOM 464 O ARG A 89 9.017 8.761 10.318 1.00 45.03 O ATOM 465 CB ARG A 89 5.702 9.570 10.014 1.00 31.15 C ATOM 466 CG ARG A 89 6.209 10.864 10.690 1.00 73.55 C ATOM 467 CD ARG A 89 5.065 11.786 11.155 1.00 24.24 C ATOM 468 NE ARG A 89 5.564 13.000 11.834 1.00 41.40 N ATOM 469 CZ ARG A 89 4.811 14.065 12.179 1.00 33.50 C ATOM 470 NH1 ARG A 89 3.499 14.101 11.915 1.00 10.24 N ATOM 471 NH2 ARG A 89 5.388 15.091 12.795 1.00 15.32 N ATOM 0 H ARG A 89 5.222 7.436 8.794 1.00 71.15 H new ATOM 0 HA ARG A 89 7.339 9.342 8.633 1.00 50.51 H new ATOM 0 HB2 ARG A 89 4.961 9.837 9.260 1.00 31.15 H new ATOM 0 HB3 ARG A 89 5.191 8.963 10.762 1.00 31.15 H new ATOM 0 HG2 ARG A 89 6.828 10.601 11.548 1.00 73.55 H new ATOM 0 HG3 ARG A 89 6.846 11.407 9.992 1.00 73.55 H new ATOM 0 HD2 ARG A 89 4.462 12.076 10.294 1.00 24.24 H new ATOM 0 HD3 ARG A 89 4.411 11.237 11.832 1.00 24.24 H new ATOM 0 HE ARG A 89 6.558 13.036 12.060 1.00 41.40 H new ATOM 0 HH11 ARG A 89 3.052 13.314 11.445 1.00 10.24 H new ATOM 0 HH12 ARG A 89 2.947 14.915 12.184 1.00 10.24 H new ATOM 0 HH21 ARG A 89 6.387 15.066 13.001 1.00 15.32 H new ATOM 0 HH22 ARG A 89 4.832 15.903 13.062 1.00 15.32 H new ATOM 485 N PRO A 90 7.649 7.198 11.246 1.00 20.11 N ATOM 486 CA PRO A 90 8.722 6.625 12.103 1.00 41.51 C ATOM 487 C PRO A 90 9.827 5.891 11.296 1.00 42.42 C ATOM 488 O PRO A 90 10.995 5.944 11.682 1.00 74.43 O ATOM 489 CB PRO A 90 7.962 5.676 13.059 1.00 33.15 C ATOM 490 CG PRO A 90 6.682 5.356 12.351 1.00 0.21 C ATOM 491 CD PRO A 90 6.329 6.595 11.574 1.00 21.12 C ATOM 0 HA PRO A 90 9.276 7.401 12.631 1.00 41.51 H new ATOM 0 HB2 PRO A 90 8.539 4.773 13.259 1.00 33.15 H new ATOM 0 HB3 PRO A 90 7.773 6.153 14.021 1.00 33.15 H new ATOM 0 HG2 PRO A 90 6.804 4.499 11.688 1.00 0.21 H new ATOM 0 HG3 PRO A 90 5.895 5.101 13.060 1.00 0.21 H new ATOM 0 HD2 PRO A 90 5.764 6.355 10.673 1.00 21.12 H new ATOM 0 HD3 PRO A 90 5.714 7.275 12.164 1.00 21.12 H new ATOM 499 N THR A 91 9.454 5.227 10.174 1.00 72.10 N ATOM 500 CA THR A 91 10.433 4.609 9.239 1.00 51.15 C ATOM 501 C THR A 91 11.418 5.675 8.705 1.00 50.32 C ATOM 502 O THR A 91 12.639 5.492 8.742 1.00 42.00 O ATOM 503 CB THR A 91 9.701 3.908 8.042 1.00 14.31 C ATOM 504 OG1 THR A 91 8.926 2.808 8.538 1.00 62.31 O ATOM 505 CG2 THR A 91 10.664 3.399 6.945 1.00 44.11 C ATOM 0 H THR A 91 8.481 5.105 9.893 1.00 72.10 H new ATOM 0 HA THR A 91 10.993 3.854 9.790 1.00 51.15 H new ATOM 0 HB THR A 91 9.064 4.661 7.579 1.00 14.31 H new ATOM 0 HG1 THR A 91 8.028 3.121 8.774 1.00 62.31 H new ATOM 0 HG21 THR A 91 10.090 2.925 6.148 1.00 44.11 H new ATOM 0 HG22 THR A 91 11.227 4.238 6.537 1.00 44.11 H new ATOM 0 HG23 THR A 91 11.355 2.674 7.375 1.00 44.11 H new ATOM 513 N TYR A 92 10.851 6.808 8.272 1.00 41.23 N ATOM 514 CA TYR A 92 11.604 7.977 7.796 1.00 13.23 C ATOM 515 C TYR A 92 12.489 8.562 8.911 1.00 54.14 C ATOM 516 O TYR A 92 13.561 9.113 8.644 1.00 74.34 O ATOM 517 CB TYR A 92 10.626 9.056 7.267 1.00 54.42 C ATOM 518 CG TYR A 92 11.332 10.286 6.688 1.00 51.21 C ATOM 519 CD1 TYR A 92 11.963 10.215 5.455 1.00 24.14 C ATOM 520 CD2 TYR A 92 11.395 11.499 7.379 1.00 14.40 C ATOM 521 CE1 TYR A 92 12.623 11.290 4.928 1.00 20.25 C ATOM 522 CE2 TYR A 92 12.062 12.582 6.855 1.00 60.22 C ATOM 523 CZ TYR A 92 12.674 12.474 5.627 1.00 41.42 C ATOM 524 OH TYR A 92 13.369 13.545 5.118 1.00 41.32 O ATOM 0 H TYR A 92 9.840 6.941 8.242 1.00 41.23 H new ATOM 0 HA TYR A 92 12.256 7.654 6.985 1.00 13.23 H new ATOM 0 HB2 TYR A 92 9.992 8.615 6.498 1.00 54.42 H new ATOM 0 HB3 TYR A 92 9.971 9.371 8.079 1.00 54.42 H new ATOM 0 HD1 TYR A 92 11.932 9.290 4.899 1.00 24.14 H new ATOM 0 HD2 TYR A 92 10.912 11.588 8.341 1.00 14.40 H new ATOM 0 HE1 TYR A 92 13.104 11.210 3.964 1.00 20.25 H new ATOM 0 HE2 TYR A 92 12.105 13.511 7.404 1.00 60.22 H new ATOM 0 HH TYR A 92 14.206 13.231 4.716 1.00 41.32 H new ATOM 534 N ALA A 93 12.028 8.415 10.163 1.00 51.34 N ATOM 535 CA ALA A 93 12.728 8.925 11.354 1.00 70.21 C ATOM 536 C ALA A 93 13.846 7.969 11.831 1.00 43.14 C ATOM 537 O ALA A 93 14.412 8.166 12.916 1.00 55.23 O ATOM 538 CB ALA A 93 11.705 9.183 12.469 1.00 25.43 C ATOM 0 H ALA A 93 11.154 7.936 10.379 1.00 51.34 H new ATOM 0 HA ALA A 93 13.220 9.861 11.088 1.00 70.21 H new ATOM 0 HB1 ALA A 93 12.218 9.561 13.353 1.00 25.43 H new ATOM 0 HB2 ALA A 93 10.976 9.919 12.131 1.00 25.43 H new ATOM 0 HB3 ALA A 93 11.194 8.253 12.716 1.00 25.43 H new ATOM 544 N GLY A 94 14.161 6.947 11.009 1.00 3.11 N ATOM 545 CA GLY A 94 15.274 6.029 11.268 1.00 62.31 C ATOM 546 C GLY A 94 14.899 4.827 12.130 1.00 11.33 C ATOM 547 O GLY A 94 15.773 4.034 12.492 1.00 32.20 O ATOM 0 H GLY A 94 13.649 6.741 10.151 1.00 3.11 H new ATOM 0 HA2 GLY A 94 15.666 5.672 10.316 1.00 62.31 H new ATOM 0 HA3 GLY A 94 16.078 6.578 11.758 1.00 62.31 H new ATOM 551 N SER A 95 13.605 4.682 12.467 1.00 13.40 N ATOM 552 CA SER A 95 13.119 3.547 13.273 1.00 31.33 C ATOM 553 C SER A 95 13.014 2.270 12.419 1.00 12.23 C ATOM 554 O SER A 95 12.081 2.123 11.616 1.00 33.01 O ATOM 555 CB SER A 95 11.756 3.890 13.907 1.00 34.40 C ATOM 556 OG SER A 95 11.824 5.117 14.614 1.00 21.34 O ATOM 0 H SER A 95 12.875 5.339 12.193 1.00 13.40 H new ATOM 0 HA SER A 95 13.838 3.359 14.070 1.00 31.33 H new ATOM 0 HB2 SER A 95 10.994 3.955 13.130 1.00 34.40 H new ATOM 0 HB3 SER A 95 11.454 3.091 14.584 1.00 34.40 H new ATOM 0 HG SER A 95 10.949 5.317 15.007 1.00 21.34 H new ATOM 562 N LYS A 96 14.011 1.375 12.578 1.00 20.24 N ATOM 563 CA LYS A 96 14.080 0.077 11.865 1.00 75.21 C ATOM 564 C LYS A 96 12.895 -0.843 12.210 1.00 61.51 C ATOM 565 O LYS A 96 12.450 -1.617 11.357 1.00 3.43 O ATOM 566 CB LYS A 96 15.436 -0.632 12.157 1.00 60.35 C ATOM 567 CG LYS A 96 15.754 -0.876 13.651 1.00 72.31 C ATOM 568 CD LYS A 96 17.160 -1.504 13.902 1.00 4.40 C ATOM 569 CE LYS A 96 18.339 -0.507 13.764 1.00 41.15 C ATOM 570 NZ LYS A 96 18.549 -0.007 12.370 1.00 63.02 N ATOM 0 H LYS A 96 14.797 1.531 13.208 1.00 20.24 H new ATOM 0 HA LYS A 96 14.015 0.289 10.798 1.00 75.21 H new ATOM 0 HB2 LYS A 96 15.442 -1.592 11.641 1.00 60.35 H new ATOM 0 HB3 LYS A 96 16.239 -0.034 11.726 1.00 60.35 H new ATOM 0 HG2 LYS A 96 15.689 0.071 14.186 1.00 72.31 H new ATOM 0 HG3 LYS A 96 14.993 -1.533 14.072 1.00 72.31 H new ATOM 0 HD2 LYS A 96 17.179 -1.934 14.903 1.00 4.40 H new ATOM 0 HD3 LYS A 96 17.309 -2.324 13.200 1.00 4.40 H new ATOM 0 HE2 LYS A 96 18.162 0.344 14.422 1.00 41.15 H new ATOM 0 HE3 LYS A 96 19.253 -0.991 14.108 1.00 41.15 H new ATOM 0 HZ1 LYS A 96 19.526 0.334 12.267 1.00 63.02 H new ATOM 0 HZ2 LYS A 96 18.379 -0.780 11.695 1.00 63.02 H new ATOM 0 HZ3 LYS A 96 17.888 0.773 12.178 1.00 63.02 H new ATOM 584 N SER A 97 12.388 -0.735 13.454 1.00 22.22 N ATOM 585 CA SER A 97 11.212 -1.499 13.916 1.00 63.22 C ATOM 586 C SER A 97 10.006 -1.163 13.020 1.00 21.02 C ATOM 587 O SER A 97 9.400 -2.058 12.426 1.00 21.02 O ATOM 588 CB SER A 97 10.908 -1.191 15.410 1.00 33.42 C ATOM 589 OG SER A 97 9.862 -2.003 15.905 1.00 15.52 O ATOM 0 H SER A 97 12.781 -0.118 14.165 1.00 22.22 H new ATOM 0 HA SER A 97 11.420 -2.566 13.841 1.00 63.22 H new ATOM 0 HB2 SER A 97 11.807 -1.351 16.006 1.00 33.42 H new ATOM 0 HB3 SER A 97 10.637 -0.141 15.518 1.00 33.42 H new ATOM 0 HG SER A 97 9.697 -1.786 16.846 1.00 15.52 H new ATOM 595 N ALA A 98 9.764 0.153 12.857 1.00 70.05 N ATOM 596 CA ALA A 98 8.684 0.695 12.016 1.00 13.23 C ATOM 597 C ALA A 98 8.850 0.288 10.542 1.00 33.53 C ATOM 598 O ALA A 98 7.857 0.011 9.860 1.00 75.14 O ATOM 599 CB ALA A 98 8.662 2.220 12.128 1.00 62.14 C ATOM 0 H ALA A 98 10.321 0.876 13.312 1.00 70.05 H new ATOM 0 HA ALA A 98 7.742 0.280 12.374 1.00 13.23 H new ATOM 0 HB1 ALA A 98 7.862 2.619 11.505 1.00 62.14 H new ATOM 0 HB2 ALA A 98 8.491 2.506 13.166 1.00 62.14 H new ATOM 0 HB3 ALA A 98 9.618 2.623 11.794 1.00 62.14 H new ATOM 605 N MET A 99 10.126 0.270 10.074 1.00 14.31 N ATOM 606 CA MET A 99 10.481 -0.103 8.687 1.00 62.00 C ATOM 607 C MET A 99 10.016 -1.533 8.369 1.00 2.15 C ATOM 608 O MET A 99 9.426 -1.778 7.315 1.00 4.12 O ATOM 609 CB MET A 99 12.012 0.027 8.445 1.00 52.25 C ATOM 610 CG MET A 99 12.470 -0.328 7.015 1.00 11.15 C ATOM 611 SD MET A 99 14.265 -0.294 6.805 1.00 61.44 S ATOM 612 CE MET A 99 14.802 -1.532 7.991 1.00 55.50 C ATOM 0 H MET A 99 10.932 0.514 10.649 1.00 14.31 H new ATOM 0 HA MET A 99 9.968 0.588 8.019 1.00 62.00 H new ATOM 0 HB2 MET A 99 12.316 1.050 8.666 1.00 52.25 H new ATOM 0 HB3 MET A 99 12.534 -0.620 9.150 1.00 52.25 H new ATOM 0 HG2 MET A 99 12.101 -1.321 6.760 1.00 11.15 H new ATOM 0 HG3 MET A 99 12.016 0.371 6.312 1.00 11.15 H new ATOM 0 HE1 MET A 99 15.805 -1.871 7.734 1.00 55.50 H new ATOM 0 HE2 MET A 99 14.811 -1.098 8.991 1.00 55.50 H new ATOM 0 HE3 MET A 99 14.116 -2.379 7.969 1.00 55.50 H new ATOM 622 N GLU A 100 10.268 -2.458 9.323 1.00 23.52 N ATOM 623 CA GLU A 100 9.910 -3.885 9.189 1.00 62.44 C ATOM 624 C GLU A 100 8.390 -4.046 9.027 1.00 1.44 C ATOM 625 O GLU A 100 7.933 -4.797 8.165 1.00 4.21 O ATOM 626 CB GLU A 100 10.412 -4.701 10.416 1.00 23.44 C ATOM 627 CG GLU A 100 10.127 -6.216 10.328 1.00 44.24 C ATOM 628 CD GLU A 100 10.535 -6.997 11.588 1.00 22.10 C ATOM 629 OE1 GLU A 100 9.937 -6.752 12.656 1.00 1.31 O ATOM 630 OE2 GLU A 100 11.436 -7.870 11.516 1.00 14.31 O ATOM 0 H GLU A 100 10.725 -2.234 10.207 1.00 23.52 H new ATOM 0 HA GLU A 100 10.400 -4.274 8.296 1.00 62.44 H new ATOM 0 HB2 GLU A 100 11.486 -4.550 10.523 1.00 23.44 H new ATOM 0 HB3 GLU A 100 9.943 -4.306 11.317 1.00 23.44 H new ATOM 0 HG2 GLU A 100 9.063 -6.366 10.147 1.00 44.24 H new ATOM 0 HG3 GLU A 100 10.658 -6.627 9.469 1.00 44.24 H new ATOM 637 N ARG A 101 7.630 -3.292 9.844 1.00 53.35 N ATOM 638 CA ARG A 101 6.154 -3.298 9.804 1.00 33.24 C ATOM 639 C ARG A 101 5.655 -2.787 8.441 1.00 35.24 C ATOM 640 O ARG A 101 4.800 -3.412 7.818 1.00 52.35 O ATOM 641 CB ARG A 101 5.542 -2.435 10.953 1.00 11.03 C ATOM 642 CG ARG A 101 5.446 -3.120 12.345 1.00 43.41 C ATOM 643 CD ARG A 101 6.802 -3.565 12.904 1.00 61.35 C ATOM 644 NE ARG A 101 6.733 -4.063 14.289 1.00 22.44 N ATOM 645 CZ ARG A 101 7.779 -4.553 14.987 1.00 62.40 C ATOM 646 NH1 ARG A 101 8.997 -4.631 14.445 1.00 23.21 N ATOM 647 NH2 ARG A 101 7.593 -4.937 16.237 1.00 3.20 N ATOM 0 H ARG A 101 8.019 -2.664 10.547 1.00 53.35 H new ATOM 0 HA ARG A 101 5.826 -4.328 9.947 1.00 33.24 H new ATOM 0 HB2 ARG A 101 6.139 -1.529 11.057 1.00 11.03 H new ATOM 0 HB3 ARG A 101 4.541 -2.125 10.653 1.00 11.03 H new ATOM 0 HG2 ARG A 101 4.981 -2.430 13.049 1.00 43.41 H new ATOM 0 HG3 ARG A 101 4.791 -3.988 12.269 1.00 43.41 H new ATOM 0 HD2 ARG A 101 7.210 -4.348 12.265 1.00 61.35 H new ATOM 0 HD3 ARG A 101 7.496 -2.726 12.862 1.00 61.35 H new ATOM 0 HE ARG A 101 5.826 -4.035 14.755 1.00 22.44 H new ATOM 0 HH11 ARG A 101 9.150 -4.317 13.487 1.00 23.21 H new ATOM 0 HH12 ARG A 101 9.775 -5.004 14.989 1.00 23.21 H new ATOM 0 HH21 ARG A 101 6.669 -4.861 16.662 1.00 3.20 H new ATOM 0 HH22 ARG A 101 8.374 -5.309 16.778 1.00 3.20 H new ATOM 661 N LEU A 102 6.232 -1.662 7.996 1.00 32.00 N ATOM 662 CA LEU A 102 5.849 -0.975 6.752 1.00 22.14 C ATOM 663 C LEU A 102 6.017 -1.903 5.518 1.00 1.03 C ATOM 664 O LEU A 102 5.124 -1.993 4.662 1.00 24.24 O ATOM 665 CB LEU A 102 6.699 0.320 6.619 1.00 73.50 C ATOM 666 CG LEU A 102 6.423 1.228 5.381 1.00 10.43 C ATOM 667 CD1 LEU A 102 4.951 1.676 5.315 1.00 51.32 C ATOM 668 CD2 LEU A 102 7.379 2.441 5.374 1.00 40.22 C ATOM 0 H LEU A 102 6.989 -1.196 8.496 1.00 32.00 H new ATOM 0 HA LEU A 102 4.793 -0.708 6.792 1.00 22.14 H new ATOM 0 HB2 LEU A 102 6.547 0.918 7.518 1.00 73.50 H new ATOM 0 HB3 LEU A 102 7.751 0.034 6.601 1.00 73.50 H new ATOM 0 HG LEU A 102 6.615 0.636 4.486 1.00 10.43 H new ATOM 0 HD11 LEU A 102 4.801 2.306 4.438 1.00 51.32 H new ATOM 0 HD12 LEU A 102 4.307 0.800 5.246 1.00 51.32 H new ATOM 0 HD13 LEU A 102 4.702 2.240 6.214 1.00 51.32 H new ATOM 0 HD21 LEU A 102 7.171 3.063 4.503 1.00 40.22 H new ATOM 0 HD22 LEU A 102 7.231 3.026 6.281 1.00 40.22 H new ATOM 0 HD23 LEU A 102 8.410 2.091 5.332 1.00 40.22 H new ATOM 680 N LYS A 103 7.159 -2.607 5.469 1.00 35.24 N ATOM 681 CA LYS A 103 7.484 -3.576 4.394 1.00 72.32 C ATOM 682 C LYS A 103 6.568 -4.815 4.456 1.00 32.43 C ATOM 683 O LYS A 103 6.065 -5.291 3.429 1.00 1.24 O ATOM 684 CB LYS A 103 8.969 -4.009 4.519 1.00 55.51 C ATOM 685 CG LYS A 103 9.987 -2.851 4.405 1.00 2.23 C ATOM 686 CD LYS A 103 11.440 -3.298 4.692 1.00 43.35 C ATOM 687 CE LYS A 103 11.949 -4.339 3.687 1.00 14.51 C ATOM 688 NZ LYS A 103 13.351 -4.734 3.961 1.00 32.52 N ATOM 0 H LYS A 103 7.891 -2.524 6.175 1.00 35.24 H new ATOM 0 HA LYS A 103 7.321 -3.088 3.433 1.00 72.32 H new ATOM 0 HB2 LYS A 103 9.110 -4.506 5.479 1.00 55.51 H new ATOM 0 HB3 LYS A 103 9.186 -4.744 3.744 1.00 55.51 H new ATOM 0 HG2 LYS A 103 9.934 -2.425 3.403 1.00 2.23 H new ATOM 0 HG3 LYS A 103 9.711 -2.061 5.103 1.00 2.23 H new ATOM 0 HD2 LYS A 103 12.095 -2.427 4.669 1.00 43.35 H new ATOM 0 HD3 LYS A 103 11.496 -3.713 5.698 1.00 43.35 H new ATOM 0 HE2 LYS A 103 11.310 -5.221 3.723 1.00 14.51 H new ATOM 0 HE3 LYS A 103 11.877 -3.934 2.677 1.00 14.51 H new ATOM 0 HZ1 LYS A 103 13.657 -5.439 3.260 1.00 32.52 H new ATOM 0 HZ2 LYS A 103 13.965 -3.897 3.901 1.00 32.52 H new ATOM 0 HZ3 LYS A 103 13.416 -5.144 4.915 1.00 32.52 H new ATOM 702 N ARG A 104 6.367 -5.313 5.682 1.00 44.42 N ATOM 703 CA ARG A 104 5.561 -6.518 5.963 1.00 31.02 C ATOM 704 C ARG A 104 4.084 -6.299 5.592 1.00 10.14 C ATOM 705 O ARG A 104 3.413 -7.211 5.088 1.00 62.33 O ATOM 706 CB ARG A 104 5.703 -6.871 7.459 1.00 22.33 C ATOM 707 CG ARG A 104 4.964 -8.140 7.926 1.00 20.32 C ATOM 708 CD ARG A 104 5.136 -8.378 9.434 1.00 65.04 C ATOM 709 NE ARG A 104 4.438 -9.582 9.914 1.00 74.33 N ATOM 710 CZ ARG A 104 4.488 -10.038 11.177 1.00 12.02 C ATOM 711 NH1 ARG A 104 5.204 -9.392 12.101 1.00 62.52 N ATOM 712 NH2 ARG A 104 3.829 -11.147 11.505 1.00 50.30 N ATOM 0 H ARG A 104 6.763 -4.888 6.521 1.00 44.42 H new ATOM 0 HA ARG A 104 5.926 -7.345 5.354 1.00 31.02 H new ATOM 0 HB2 ARG A 104 6.763 -6.987 7.686 1.00 22.33 H new ATOM 0 HB3 ARG A 104 5.342 -6.027 8.047 1.00 22.33 H new ATOM 0 HG2 ARG A 104 3.903 -8.050 7.691 1.00 20.32 H new ATOM 0 HG3 ARG A 104 5.340 -9.003 7.377 1.00 20.32 H new ATOM 0 HD2 ARG A 104 6.198 -8.466 9.663 1.00 65.04 H new ATOM 0 HD3 ARG A 104 4.764 -7.509 9.977 1.00 65.04 H new ATOM 0 HE ARG A 104 3.878 -10.106 9.242 1.00 74.33 H new ATOM 0 HH11 ARG A 104 5.717 -8.547 11.850 1.00 62.52 H new ATOM 0 HH12 ARG A 104 5.238 -9.744 13.058 1.00 62.52 H new ATOM 0 HH21 ARG A 104 3.289 -11.647 10.799 1.00 50.30 H new ATOM 0 HH22 ARG A 104 3.864 -11.497 12.462 1.00 50.30 H new ATOM 726 N GLY A 105 3.616 -5.060 5.803 1.00 34.40 N ATOM 727 CA GLY A 105 2.243 -4.677 5.483 1.00 31.13 C ATOM 728 C GLY A 105 1.972 -4.698 3.993 1.00 22.41 C ATOM 729 O GLY A 105 0.848 -4.935 3.574 1.00 25.21 O ATOM 0 H GLY A 105 4.177 -4.305 6.197 1.00 34.40 H new ATOM 0 HA2 GLY A 105 1.553 -5.355 5.985 1.00 31.13 H new ATOM 0 HA3 GLY A 105 2.047 -3.678 5.871 1.00 31.13 H new ATOM 733 N ILE A 106 3.032 -4.443 3.206 1.00 34.42 N ATOM 734 CA ILE A 106 3.016 -4.538 1.738 1.00 51.51 C ATOM 735 C ILE A 106 3.016 -6.010 1.259 1.00 74.32 C ATOM 736 O ILE A 106 2.436 -6.318 0.217 1.00 71.25 O ATOM 737 CB ILE A 106 4.205 -3.688 1.134 1.00 65.32 C ATOM 738 CG1 ILE A 106 3.798 -2.173 1.111 1.00 53.33 C ATOM 739 CG2 ILE A 106 4.666 -4.181 -0.262 1.00 23.20 C ATOM 740 CD1 ILE A 106 4.834 -1.227 0.551 1.00 43.21 C ATOM 0 H ILE A 106 3.938 -4.161 3.580 1.00 34.42 H new ATOM 0 HA ILE A 106 2.085 -4.112 1.364 1.00 51.51 H new ATOM 0 HB ILE A 106 5.072 -3.822 1.781 1.00 65.32 H new ATOM 0 HG12 ILE A 106 2.884 -2.070 0.526 1.00 53.33 H new ATOM 0 HG13 ILE A 106 3.562 -1.863 2.129 1.00 53.33 H new ATOM 0 HG21 ILE A 106 5.484 -3.554 -0.618 1.00 23.20 H new ATOM 0 HG22 ILE A 106 5.006 -5.214 -0.189 1.00 23.20 H new ATOM 0 HG23 ILE A 106 3.833 -4.122 -0.962 1.00 23.20 H new ATOM 0 HD11 ILE A 106 4.450 -0.207 0.582 1.00 43.21 H new ATOM 0 HD12 ILE A 106 5.744 -1.290 1.147 1.00 43.21 H new ATOM 0 HD13 ILE A 106 5.056 -1.500 -0.481 1.00 43.21 H new ATOM 752 N ILE A 107 3.623 -6.922 2.042 1.00 11.14 N ATOM 753 CA ILE A 107 3.549 -8.381 1.769 1.00 70.53 C ATOM 754 C ILE A 107 2.082 -8.863 1.907 1.00 34.45 C ATOM 755 O ILE A 107 1.625 -9.746 1.170 1.00 3.44 O ATOM 756 CB ILE A 107 4.504 -9.198 2.729 1.00 72.45 C ATOM 757 CG1 ILE A 107 5.974 -8.676 2.608 1.00 54.12 C ATOM 758 CG2 ILE A 107 4.434 -10.725 2.448 1.00 53.15 C ATOM 759 CD1 ILE A 107 6.969 -9.331 3.553 1.00 71.00 C ATOM 0 H ILE A 107 4.170 -6.681 2.868 1.00 11.14 H new ATOM 0 HA ILE A 107 3.888 -8.560 0.749 1.00 70.53 H new ATOM 0 HB ILE A 107 4.160 -9.042 3.752 1.00 72.45 H new ATOM 0 HG12 ILE A 107 6.314 -8.828 1.584 1.00 54.12 H new ATOM 0 HG13 ILE A 107 5.978 -7.601 2.789 1.00 54.12 H new ATOM 0 HG21 ILE A 107 5.104 -11.251 3.128 1.00 53.15 H new ATOM 0 HG22 ILE A 107 3.414 -11.077 2.600 1.00 53.15 H new ATOM 0 HG23 ILE A 107 4.735 -10.920 1.419 1.00 53.15 H new ATOM 0 HD11 ILE A 107 7.959 -8.903 3.393 1.00 71.00 H new ATOM 0 HD12 ILE A 107 6.660 -9.157 4.584 1.00 71.00 H new ATOM 0 HD13 ILE A 107 7.002 -10.403 3.360 1.00 71.00 H new ATOM 771 N HIS A 108 1.351 -8.242 2.851 1.00 41.35 N ATOM 772 CA HIS A 108 -0.088 -8.506 3.056 1.00 52.11 C ATOM 773 C HIS A 108 -0.953 -7.720 2.051 1.00 5.12 C ATOM 774 O HIS A 108 -1.939 -8.249 1.535 1.00 71.44 O ATOM 775 CB HIS A 108 -0.505 -8.160 4.505 1.00 12.32 C ATOM 776 CG HIS A 108 -1.935 -8.519 4.839 1.00 35.24 C ATOM 777 ND1 HIS A 108 -2.795 -7.660 5.489 1.00 75.04 N ATOM 778 CD2 HIS A 108 -2.654 -9.645 4.591 1.00 11.15 C ATOM 779 CE1 HIS A 108 -3.969 -8.241 5.629 1.00 1.24 C ATOM 780 NE2 HIS A 108 -3.912 -9.436 5.093 1.00 13.54 N ATOM 0 H HIS A 108 1.737 -7.547 3.490 1.00 41.35 H new ATOM 0 HA HIS A 108 -0.255 -9.570 2.886 1.00 52.11 H new ATOM 0 HB2 HIS A 108 0.159 -8.679 5.196 1.00 12.32 H new ATOM 0 HB3 HIS A 108 -0.363 -7.092 4.667 1.00 12.32 H new ATOM 0 HD2 HIS A 108 -2.301 -10.536 4.093 1.00 11.15 H new ATOM 0 HE1 HIS A 108 -4.834 -7.805 6.106 1.00 1.24 H new ATOM 0 HE2 HIS A 108 -4.682 -10.104 5.056 1.00 13.54 H new ATOM 789 N ALA A 109 -0.565 -6.466 1.770 1.00 24.43 N ATOM 790 CA ALA A 109 -1.349 -5.551 0.916 1.00 52.14 C ATOM 791 C ALA A 109 -1.393 -6.058 -0.526 1.00 52.14 C ATOM 792 O ALA A 109 -2.450 -6.064 -1.166 1.00 41.53 O ATOM 793 CB ALA A 109 -0.774 -4.131 0.971 1.00 51.32 C ATOM 0 H ALA A 109 0.298 -6.056 2.126 1.00 24.43 H new ATOM 0 HA ALA A 109 -2.369 -5.522 1.299 1.00 52.14 H new ATOM 0 HB1 ALA A 109 -1.367 -3.474 0.335 1.00 51.32 H new ATOM 0 HB2 ALA A 109 -0.804 -3.766 1.998 1.00 51.32 H new ATOM 0 HB3 ALA A 109 0.258 -4.142 0.620 1.00 51.32 H new ATOM 799 N ARG A 110 -0.222 -6.528 -0.992 1.00 31.51 N ATOM 800 CA ARG A 110 -0.059 -7.111 -2.331 1.00 44.42 C ATOM 801 C ARG A 110 -0.885 -8.401 -2.435 1.00 2.34 C ATOM 802 O ARG A 110 -1.451 -8.693 -3.479 1.00 74.34 O ATOM 803 CB ARG A 110 1.445 -7.418 -2.634 1.00 34.45 C ATOM 804 CG ARG A 110 1.989 -8.712 -1.967 1.00 51.20 C ATOM 805 CD ARG A 110 3.308 -9.219 -2.546 1.00 1.43 C ATOM 806 NE ARG A 110 4.444 -8.363 -2.198 1.00 71.42 N ATOM 807 CZ ARG A 110 5.617 -8.775 -1.713 1.00 74.30 C ATOM 808 NH1 ARG A 110 5.831 -10.065 -1.470 1.00 11.34 N ATOM 809 NH2 ARG A 110 6.584 -7.892 -1.534 1.00 73.00 N ATOM 0 H ARG A 110 0.640 -6.513 -0.446 1.00 31.51 H new ATOM 0 HA ARG A 110 -0.412 -6.388 -3.066 1.00 44.42 H new ATOM 0 HB2 ARG A 110 1.575 -7.499 -3.713 1.00 34.45 H new ATOM 0 HB3 ARG A 110 2.048 -6.573 -2.303 1.00 34.45 H new ATOM 0 HG2 ARG A 110 2.122 -8.527 -0.901 1.00 51.20 H new ATOM 0 HG3 ARG A 110 1.239 -9.497 -2.063 1.00 51.20 H new ATOM 0 HD2 ARG A 110 3.495 -10.229 -2.183 1.00 1.43 H new ATOM 0 HD3 ARG A 110 3.224 -9.281 -3.631 1.00 1.43 H new ATOM 0 HE ARG A 110 4.328 -7.360 -2.339 1.00 71.42 H new ATOM 0 HH11 ARG A 110 5.096 -10.748 -1.654 1.00 11.34 H new ATOM 0 HH12 ARG A 110 6.730 -10.372 -1.099 1.00 11.34 H new ATOM 0 HH21 ARG A 110 6.428 -6.911 -1.766 1.00 73.00 H new ATOM 0 HH22 ARG A 110 7.486 -8.192 -1.164 1.00 73.00 H new ATOM 823 N ALA A 111 -0.941 -9.152 -1.311 1.00 52.30 N ATOM 824 CA ALA A 111 -1.580 -10.465 -1.247 1.00 2.43 C ATOM 825 C ALA A 111 -3.092 -10.331 -1.416 1.00 55.14 C ATOM 826 O ALA A 111 -3.699 -11.108 -2.140 1.00 40.51 O ATOM 827 CB ALA A 111 -1.229 -11.156 0.077 1.00 54.22 C ATOM 0 H ALA A 111 -0.538 -8.852 -0.423 1.00 52.30 H new ATOM 0 HA ALA A 111 -1.206 -11.082 -2.064 1.00 2.43 H new ATOM 0 HB1 ALA A 111 -1.710 -12.134 0.116 1.00 54.22 H new ATOM 0 HB2 ALA A 111 -0.148 -11.280 0.148 1.00 54.22 H new ATOM 0 HB3 ALA A 111 -1.579 -10.546 0.910 1.00 54.22 H new ATOM 833 N LEU A 112 -3.654 -9.283 -0.777 1.00 5.13 N ATOM 834 CA LEU A 112 -5.095 -8.972 -0.818 1.00 62.13 C ATOM 835 C LEU A 112 -5.542 -8.602 -2.244 1.00 54.43 C ATOM 836 O LEU A 112 -6.646 -8.962 -2.661 1.00 65.11 O ATOM 837 CB LEU A 112 -5.431 -7.831 0.181 1.00 40.13 C ATOM 838 CG LEU A 112 -5.197 -8.166 1.689 1.00 35.25 C ATOM 839 CD1 LEU A 112 -5.470 -6.941 2.591 1.00 63.33 C ATOM 840 CD2 LEU A 112 -6.036 -9.391 2.131 1.00 24.43 C ATOM 0 H LEU A 112 -3.114 -8.625 -0.214 1.00 5.13 H new ATOM 0 HA LEU A 112 -5.645 -9.865 -0.520 1.00 62.13 H new ATOM 0 HB2 LEU A 112 -4.831 -6.958 -0.076 1.00 40.13 H new ATOM 0 HB3 LEU A 112 -6.476 -7.551 0.047 1.00 40.13 H new ATOM 0 HG LEU A 112 -4.145 -8.428 1.806 1.00 35.25 H new ATOM 0 HD11 LEU A 112 -5.297 -7.211 3.633 1.00 63.33 H new ATOM 0 HD12 LEU A 112 -4.801 -6.127 2.311 1.00 63.33 H new ATOM 0 HD13 LEU A 112 -6.504 -6.620 2.466 1.00 63.33 H new ATOM 0 HD21 LEU A 112 -5.850 -9.598 3.185 1.00 24.43 H new ATOM 0 HD22 LEU A 112 -7.095 -9.179 1.984 1.00 24.43 H new ATOM 0 HD23 LEU A 112 -5.754 -10.259 1.536 1.00 24.43 H new ATOM 852 N VAL A 113 -4.670 -7.893 -2.982 1.00 65.23 N ATOM 853 CA VAL A 113 -4.937 -7.533 -4.389 1.00 22.30 C ATOM 854 C VAL A 113 -4.779 -8.776 -5.289 1.00 14.12 C ATOM 855 O VAL A 113 -5.637 -9.067 -6.127 1.00 42.33 O ATOM 856 CB VAL A 113 -3.978 -6.394 -4.914 1.00 2.33 C ATOM 857 CG1 VAL A 113 -4.435 -5.874 -6.302 1.00 54.33 C ATOM 858 CG2 VAL A 113 -3.857 -5.241 -3.900 1.00 21.51 C ATOM 0 H VAL A 113 -3.774 -7.557 -2.629 1.00 65.23 H new ATOM 0 HA VAL A 113 -5.959 -7.157 -4.431 1.00 22.30 H new ATOM 0 HB VAL A 113 -2.986 -6.831 -5.030 1.00 2.33 H new ATOM 0 HG11 VAL A 113 -3.756 -5.090 -6.639 1.00 54.33 H new ATOM 0 HG12 VAL A 113 -4.426 -6.695 -7.019 1.00 54.33 H new ATOM 0 HG13 VAL A 113 -5.445 -5.471 -6.225 1.00 54.33 H new ATOM 0 HG21 VAL A 113 -3.189 -4.476 -4.296 1.00 21.51 H new ATOM 0 HG22 VAL A 113 -4.841 -4.807 -3.723 1.00 21.51 H new ATOM 0 HG23 VAL A 113 -3.455 -5.623 -2.961 1.00 21.51 H new ATOM 868 N ARG A 114 -3.686 -9.527 -5.045 1.00 22.13 N ATOM 869 CA ARG A 114 -3.218 -10.607 -5.931 1.00 52.34 C ATOM 870 C ARG A 114 -4.212 -11.781 -5.954 1.00 32.11 C ATOM 871 O ARG A 114 -4.565 -12.286 -7.024 1.00 31.04 O ATOM 872 CB ARG A 114 -1.806 -11.088 -5.502 1.00 13.00 C ATOM 873 CG ARG A 114 -1.156 -12.100 -6.462 1.00 33.44 C ATOM 874 CD ARG A 114 0.218 -12.598 -5.979 1.00 24.34 C ATOM 875 NE ARG A 114 0.709 -13.720 -6.801 1.00 71.12 N ATOM 876 CZ ARG A 114 1.635 -14.623 -6.427 1.00 34.42 C ATOM 877 NH1 ARG A 114 2.203 -14.575 -5.219 1.00 2.11 N ATOM 878 NH2 ARG A 114 1.951 -15.610 -7.258 1.00 50.24 N ATOM 0 H ARG A 114 -3.100 -9.398 -4.220 1.00 22.13 H new ATOM 0 HA ARG A 114 -3.155 -10.208 -6.943 1.00 52.34 H new ATOM 0 HB2 ARG A 114 -1.152 -10.220 -5.412 1.00 13.00 H new ATOM 0 HB3 ARG A 114 -1.875 -11.539 -4.512 1.00 13.00 H new ATOM 0 HG2 ARG A 114 -1.822 -12.954 -6.585 1.00 33.44 H new ATOM 0 HG3 ARG A 114 -1.044 -11.640 -7.444 1.00 33.44 H new ATOM 0 HD2 ARG A 114 0.936 -11.779 -6.015 1.00 24.34 H new ATOM 0 HD3 ARG A 114 0.146 -12.913 -4.938 1.00 24.34 H new ATOM 0 HE ARG A 114 0.312 -13.821 -7.735 1.00 71.12 H new ATOM 0 HH11 ARG A 114 1.937 -13.844 -4.559 1.00 2.11 H new ATOM 0 HH12 ARG A 114 2.902 -15.269 -4.956 1.00 2.11 H new ATOM 0 HH21 ARG A 114 1.494 -15.677 -8.167 1.00 50.24 H new ATOM 0 HH22 ARG A 114 2.651 -16.301 -6.987 1.00 50.24 H new ATOM 1319 N THR B 75 -5.113 -4.504 -11.249 1.00 13.03 N ATOM 1320 CA THR B 75 -3.699 -4.938 -11.225 1.00 64.11 C ATOM 1321 C THR B 75 -2.761 -3.719 -11.055 1.00 60.21 C ATOM 1322 O THR B 75 -1.608 -3.861 -10.615 1.00 32.54 O ATOM 1323 CB THR B 75 -3.347 -5.721 -12.539 1.00 12.21 C ATOM 1324 OG1 THR B 75 -4.300 -6.779 -12.747 1.00 51.35 O ATOM 1325 CG2 THR B 75 -1.931 -6.339 -12.525 1.00 2.44 C ATOM 0 HA THR B 75 -3.555 -5.604 -10.374 1.00 64.11 H new ATOM 0 HB THR B 75 -3.381 -4.989 -13.346 1.00 12.21 H new ATOM 0 HG1 THR B 75 -5.165 -6.519 -12.367 1.00 51.35 H new ATOM 0 HG21 THR B 75 -1.754 -6.865 -13.463 1.00 2.44 H new ATOM 0 HG22 THR B 75 -1.190 -5.548 -12.407 1.00 2.44 H new ATOM 0 HG23 THR B 75 -1.848 -7.040 -11.695 1.00 2.44 H new ATOM 1333 N ASP B 76 -3.295 -2.516 -11.386 1.00 42.44 N ATOM 1334 CA ASP B 76 -2.609 -1.230 -11.173 1.00 61.34 C ATOM 1335 C ASP B 76 -2.271 -1.068 -9.693 1.00 50.15 C ATOM 1336 O ASP B 76 -1.153 -0.709 -9.337 1.00 3.53 O ATOM 1337 CB ASP B 76 -3.501 -0.053 -11.648 1.00 52.42 C ATOM 1338 CG ASP B 76 -2.753 1.292 -11.657 1.00 61.32 C ATOM 1339 OD1 ASP B 76 -2.632 1.939 -10.594 1.00 52.40 O ATOM 1340 OD2 ASP B 76 -2.262 1.697 -12.731 1.00 24.31 O ATOM 0 H ASP B 76 -4.218 -2.418 -11.810 1.00 42.44 H new ATOM 0 HA ASP B 76 -1.688 -1.221 -11.756 1.00 61.34 H new ATOM 0 HB2 ASP B 76 -3.872 -0.265 -12.651 1.00 52.42 H new ATOM 0 HB3 ASP B 76 -4.371 0.024 -10.996 1.00 52.42 H new ATOM 1345 N LEU B 77 -3.270 -1.387 -8.856 1.00 71.32 N ATOM 1346 CA LEU B 77 -3.166 -1.331 -7.394 1.00 43.01 C ATOM 1347 C LEU B 77 -2.047 -2.260 -6.882 1.00 2.32 C ATOM 1348 O LEU B 77 -1.251 -1.849 -6.044 1.00 45.43 O ATOM 1349 CB LEU B 77 -4.530 -1.693 -6.755 1.00 11.32 C ATOM 1350 CG LEU B 77 -4.591 -1.713 -5.197 1.00 11.11 C ATOM 1351 CD1 LEU B 77 -4.186 -0.354 -4.576 1.00 50.44 C ATOM 1352 CD2 LEU B 77 -5.990 -2.159 -4.724 1.00 15.22 C ATOM 0 H LEU B 77 -4.186 -1.695 -9.183 1.00 71.32 H new ATOM 0 HA LEU B 77 -2.904 -0.314 -7.101 1.00 43.01 H new ATOM 0 HB2 LEU B 77 -5.274 -0.982 -7.115 1.00 11.32 H new ATOM 0 HB3 LEU B 77 -4.826 -2.677 -7.120 1.00 11.32 H new ATOM 0 HG LEU B 77 -3.859 -2.440 -4.845 1.00 11.11 H new ATOM 0 HD11 LEU B 77 -4.244 -0.419 -3.489 1.00 50.44 H new ATOM 0 HD12 LEU B 77 -3.166 -0.109 -4.871 1.00 50.44 H new ATOM 0 HD13 LEU B 77 -4.862 0.424 -4.930 1.00 50.44 H new ATOM 0 HD21 LEU B 77 -6.020 -2.169 -3.634 1.00 15.22 H new ATOM 0 HD22 LEU B 77 -6.740 -1.464 -5.101 1.00 15.22 H new ATOM 0 HD23 LEU B 77 -6.200 -3.160 -5.102 1.00 15.22 H new ATOM 1364 N LEU B 78 -1.971 -3.486 -7.444 1.00 52.12 N ATOM 1365 CA LEU B 78 -0.913 -4.471 -7.106 1.00 13.41 C ATOM 1366 C LEU B 78 0.484 -3.898 -7.424 1.00 11.14 C ATOM 1367 O LEU B 78 1.448 -4.107 -6.671 1.00 53.45 O ATOM 1368 CB LEU B 78 -1.144 -5.796 -7.887 1.00 60.21 C ATOM 1369 CG LEU B 78 -0.141 -6.960 -7.595 1.00 70.55 C ATOM 1370 CD1 LEU B 78 -0.181 -7.383 -6.111 1.00 75.40 C ATOM 1371 CD2 LEU B 78 -0.394 -8.162 -8.532 1.00 62.11 C ATOM 0 H LEU B 78 -2.636 -3.822 -8.141 1.00 52.12 H new ATOM 0 HA LEU B 78 -0.963 -4.680 -6.037 1.00 13.41 H new ATOM 0 HB2 LEU B 78 -2.151 -6.150 -7.668 1.00 60.21 H new ATOM 0 HB3 LEU B 78 -1.109 -5.574 -8.954 1.00 60.21 H new ATOM 0 HG LEU B 78 0.863 -6.588 -7.798 1.00 70.55 H new ATOM 0 HD11 LEU B 78 0.528 -8.194 -5.944 1.00 75.40 H new ATOM 0 HD12 LEU B 78 0.086 -6.533 -5.483 1.00 75.40 H new ATOM 0 HD13 LEU B 78 -1.185 -7.722 -5.856 1.00 75.40 H new ATOM 0 HD21 LEU B 78 0.318 -8.956 -8.306 1.00 62.11 H new ATOM 0 HD22 LEU B 78 -1.409 -8.532 -8.384 1.00 62.11 H new ATOM 0 HD23 LEU B 78 -0.270 -7.848 -9.568 1.00 62.11 H new ATOM 1383 N SER B 79 0.564 -3.146 -8.540 1.00 73.33 N ATOM 1384 CA SER B 79 1.800 -2.468 -8.956 1.00 73.42 C ATOM 1385 C SER B 79 2.171 -1.360 -7.958 1.00 12.25 C ATOM 1386 O SER B 79 3.327 -1.267 -7.551 1.00 13.14 O ATOM 1387 CB SER B 79 1.648 -1.883 -10.376 1.00 72.33 C ATOM 1388 OG SER B 79 1.247 -2.882 -11.296 1.00 73.30 O ATOM 0 H SER B 79 -0.222 -2.995 -9.172 1.00 73.33 H new ATOM 0 HA SER B 79 2.604 -3.204 -8.970 1.00 73.42 H new ATOM 0 HB2 SER B 79 0.913 -1.078 -10.365 1.00 72.33 H new ATOM 0 HB3 SER B 79 2.594 -1.447 -10.697 1.00 72.33 H new ATOM 0 HG SER B 79 0.343 -3.188 -11.073 1.00 73.30 H new ATOM 1394 N VAL B 80 1.162 -0.550 -7.548 1.00 1.01 N ATOM 1395 CA VAL B 80 1.353 0.578 -6.602 1.00 13.23 C ATOM 1396 C VAL B 80 1.991 0.081 -5.298 1.00 41.24 C ATOM 1397 O VAL B 80 2.981 0.650 -4.830 1.00 50.02 O ATOM 1398 CB VAL B 80 0.000 1.315 -6.255 1.00 61.40 C ATOM 1399 CG1 VAL B 80 0.217 2.458 -5.234 1.00 24.14 C ATOM 1400 CG2 VAL B 80 -0.695 1.852 -7.514 1.00 31.15 C ATOM 0 H VAL B 80 0.198 -0.660 -7.862 1.00 1.01 H new ATOM 0 HA VAL B 80 2.010 1.290 -7.101 1.00 13.23 H new ATOM 0 HB VAL B 80 -0.652 0.570 -5.799 1.00 61.40 H new ATOM 0 HG11 VAL B 80 -0.737 2.941 -5.021 1.00 24.14 H new ATOM 0 HG12 VAL B 80 0.631 2.049 -4.312 1.00 24.14 H new ATOM 0 HG13 VAL B 80 0.910 3.190 -5.649 1.00 24.14 H new ATOM 0 HG21 VAL B 80 -1.622 2.352 -7.233 1.00 31.15 H new ATOM 0 HG22 VAL B 80 -0.038 2.561 -8.018 1.00 31.15 H new ATOM 0 HG23 VAL B 80 -0.919 1.024 -8.187 1.00 31.15 H new ATOM 1410 N ILE B 81 1.413 -1.006 -4.753 1.00 12.03 N ATOM 1411 CA ILE B 81 1.873 -1.648 -3.508 1.00 73.43 C ATOM 1412 C ILE B 81 3.383 -1.969 -3.561 1.00 3.54 C ATOM 1413 O ILE B 81 4.138 -1.672 -2.628 1.00 54.42 O ATOM 1414 CB ILE B 81 1.038 -2.956 -3.221 1.00 33.23 C ATOM 1415 CG1 ILE B 81 -0.489 -2.648 -3.116 1.00 42.40 C ATOM 1416 CG2 ILE B 81 1.524 -3.681 -1.957 1.00 74.42 C ATOM 1417 CD1 ILE B 81 -0.893 -1.625 -2.061 1.00 0.13 C ATOM 0 H ILE B 81 0.605 -1.468 -5.170 1.00 12.03 H new ATOM 0 HA ILE B 81 1.713 -0.944 -2.692 1.00 73.43 H new ATOM 0 HB ILE B 81 1.197 -3.620 -4.070 1.00 33.23 H new ATOM 0 HG12 ILE B 81 -0.836 -2.295 -4.087 1.00 42.40 H new ATOM 0 HG13 ILE B 81 -1.014 -3.580 -2.909 1.00 42.40 H new ATOM 0 HG21 ILE B 81 0.922 -4.576 -1.797 1.00 74.42 H new ATOM 0 HG22 ILE B 81 2.569 -3.964 -2.079 1.00 74.42 H new ATOM 0 HG23 ILE B 81 1.426 -3.018 -1.097 1.00 74.42 H new ATOM 0 HD11 ILE B 81 -1.975 -1.491 -2.079 1.00 0.13 H new ATOM 0 HD12 ILE B 81 -0.587 -1.978 -1.076 1.00 0.13 H new ATOM 0 HD13 ILE B 81 -0.406 -0.673 -2.272 1.00 0.13 H new ATOM 1429 N GLU B 82 3.805 -2.516 -4.696 1.00 31.10 N ATOM 1430 CA GLU B 82 5.183 -2.966 -4.913 1.00 75.11 C ATOM 1431 C GLU B 82 6.149 -1.810 -5.211 1.00 54.34 C ATOM 1432 O GLU B 82 7.292 -1.844 -4.755 1.00 42.23 O ATOM 1433 CB GLU B 82 5.192 -4.028 -6.030 1.00 60.21 C ATOM 1434 CG GLU B 82 4.482 -5.335 -5.623 1.00 51.14 C ATOM 1435 CD GLU B 82 5.141 -6.011 -4.411 1.00 62.42 C ATOM 1436 OE1 GLU B 82 4.750 -5.716 -3.259 1.00 41.11 O ATOM 1437 OE2 GLU B 82 6.079 -6.815 -4.607 1.00 14.54 O ATOM 0 H GLU B 82 3.197 -2.663 -5.502 1.00 31.10 H new ATOM 0 HA GLU B 82 5.549 -3.411 -3.988 1.00 75.11 H new ATOM 0 HB2 GLU B 82 4.708 -3.619 -6.917 1.00 60.21 H new ATOM 0 HB3 GLU B 82 6.223 -4.251 -6.304 1.00 60.21 H new ATOM 0 HG2 GLU B 82 3.438 -5.121 -5.392 1.00 51.14 H new ATOM 0 HG3 GLU B 82 4.487 -6.025 -6.467 1.00 51.14 H new ATOM 1444 N GLU B 83 5.689 -0.782 -5.951 1.00 32.55 N ATOM 1445 CA GLU B 83 6.530 0.393 -6.283 1.00 14.42 C ATOM 1446 C GLU B 83 6.817 1.215 -5.021 1.00 74.53 C ATOM 1447 O GLU B 83 7.886 1.833 -4.891 1.00 11.20 O ATOM 1448 CB GLU B 83 5.886 1.266 -7.390 1.00 4.32 C ATOM 1449 CG GLU B 83 5.645 0.533 -8.727 1.00 51.02 C ATOM 1450 CD GLU B 83 6.919 -0.073 -9.355 1.00 63.31 C ATOM 1451 OE1 GLU B 83 7.344 -1.185 -8.942 1.00 64.21 O ATOM 1452 OE2 GLU B 83 7.512 0.556 -10.261 1.00 43.44 O ATOM 0 H GLU B 83 4.743 -0.738 -6.331 1.00 32.55 H new ATOM 0 HA GLU B 83 7.477 0.028 -6.679 1.00 14.42 H new ATOM 0 HB2 GLU B 83 4.934 1.649 -7.024 1.00 4.32 H new ATOM 0 HB3 GLU B 83 6.527 2.128 -7.574 1.00 4.32 H new ATOM 0 HG2 GLU B 83 4.919 -0.264 -8.566 1.00 51.02 H new ATOM 0 HG3 GLU B 83 5.201 1.231 -9.436 1.00 51.02 H new ATOM 1459 N MET B 84 5.860 1.186 -4.082 1.00 45.51 N ATOM 1460 CA MET B 84 6.044 1.735 -2.734 1.00 1.31 C ATOM 1461 C MET B 84 7.094 0.903 -1.973 1.00 44.20 C ATOM 1462 O MET B 84 8.016 1.460 -1.374 1.00 53.21 O ATOM 1463 CB MET B 84 4.697 1.765 -1.966 1.00 45.43 C ATOM 1464 CG MET B 84 3.682 2.770 -2.523 1.00 61.03 C ATOM 1465 SD MET B 84 2.216 2.947 -1.488 1.00 63.12 S ATOM 1466 CE MET B 84 1.590 1.272 -1.383 1.00 52.04 C ATOM 0 H MET B 84 4.937 0.781 -4.238 1.00 45.51 H new ATOM 0 HA MET B 84 6.402 2.761 -2.815 1.00 1.31 H new ATOM 0 HB2 MET B 84 4.256 0.769 -1.989 1.00 45.43 H new ATOM 0 HB3 MET B 84 4.892 2.003 -0.920 1.00 45.43 H new ATOM 0 HG2 MET B 84 4.164 3.742 -2.629 1.00 61.03 H new ATOM 0 HG3 MET B 84 3.378 2.454 -3.521 1.00 61.03 H new ATOM 0 HE1 MET B 84 0.753 1.240 -0.686 1.00 52.04 H new ATOM 0 HE2 MET B 84 1.255 0.946 -2.368 1.00 52.04 H new ATOM 0 HE3 MET B 84 2.381 0.609 -1.031 1.00 52.04 H new ATOM 1476 N GLY B 85 6.972 -0.439 -2.092 1.00 20.12 N ATOM 1477 CA GLY B 85 7.903 -1.402 -1.474 1.00 32.12 C ATOM 1478 C GLY B 85 9.361 -1.244 -1.908 1.00 1.11 C ATOM 1479 O GLY B 85 10.265 -1.783 -1.264 1.00 22.32 O ATOM 0 H GLY B 85 6.222 -0.883 -2.622 1.00 20.12 H new ATOM 0 HA2 GLY B 85 7.847 -1.298 -0.390 1.00 32.12 H new ATOM 0 HA3 GLY B 85 7.573 -2.413 -1.715 1.00 32.12 H new ATOM 1483 N LYS B 86 9.587 -0.525 -3.020 1.00 71.21 N ATOM 1484 CA LYS B 86 10.942 -0.194 -3.500 1.00 44.44 C ATOM 1485 C LYS B 86 11.487 1.016 -2.708 1.00 64.32 C ATOM 1486 O LYS B 86 12.557 0.944 -2.095 1.00 54.33 O ATOM 1487 CB LYS B 86 10.931 0.115 -5.026 1.00 4.33 C ATOM 1488 CG LYS B 86 10.124 -0.894 -5.874 1.00 41.43 C ATOM 1489 CD LYS B 86 10.643 -2.349 -5.790 1.00 32.34 C ATOM 1490 CE LYS B 86 9.664 -3.361 -6.427 1.00 41.13 C ATOM 1491 NZ LYS B 86 9.316 -3.034 -7.839 1.00 75.25 N ATOM 0 H LYS B 86 8.840 -0.158 -3.610 1.00 71.21 H new ATOM 0 HA LYS B 86 11.593 -1.054 -3.339 1.00 44.44 H new ATOM 0 HB2 LYS B 86 10.519 1.112 -5.180 1.00 4.33 H new ATOM 0 HB3 LYS B 86 11.959 0.136 -5.388 1.00 4.33 H new ATOM 0 HG2 LYS B 86 9.083 -0.872 -5.552 1.00 41.43 H new ATOM 0 HG3 LYS B 86 10.142 -0.573 -6.915 1.00 41.43 H new ATOM 0 HD2 LYS B 86 11.609 -2.417 -6.291 1.00 32.34 H new ATOM 0 HD3 LYS B 86 10.807 -2.614 -4.745 1.00 32.34 H new ATOM 0 HE2 LYS B 86 10.106 -4.357 -6.390 1.00 41.13 H new ATOM 0 HE3 LYS B 86 8.750 -3.396 -5.833 1.00 41.13 H new ATOM 0 HZ1 LYS B 86 9.000 -3.896 -8.327 1.00 75.25 H new ATOM 0 HZ2 LYS B 86 8.553 -2.328 -7.854 1.00 75.25 H new ATOM 0 HZ3 LYS B 86 10.153 -2.650 -8.323 1.00 75.25 H new ATOM 1505 N GLU B 87 10.695 2.107 -2.680 1.00 43.23 N ATOM 1506 CA GLU B 87 11.125 3.405 -2.124 1.00 23.01 C ATOM 1507 C GLU B 87 10.917 3.528 -0.598 1.00 0.12 C ATOM 1508 O GLU B 87 11.059 4.626 -0.053 1.00 54.34 O ATOM 1509 CB GLU B 87 10.452 4.571 -2.894 1.00 53.31 C ATOM 1510 CG GLU B 87 10.926 4.700 -4.357 1.00 64.23 C ATOM 1511 CD GLU B 87 10.328 5.903 -5.100 1.00 73.33 C ATOM 1512 OE1 GLU B 87 10.718 7.061 -4.785 1.00 43.05 O ATOM 1513 OE2 GLU B 87 9.474 5.697 -6.007 1.00 34.51 O ATOM 0 H GLU B 87 9.741 2.113 -3.042 1.00 43.23 H new ATOM 0 HA GLU B 87 12.204 3.465 -2.268 1.00 23.01 H new ATOM 0 HB2 GLU B 87 9.372 4.427 -2.882 1.00 53.31 H new ATOM 0 HB3 GLU B 87 10.655 5.506 -2.371 1.00 53.31 H new ATOM 0 HG2 GLU B 87 12.013 4.780 -4.371 1.00 64.23 H new ATOM 0 HG3 GLU B 87 10.667 3.788 -4.895 1.00 64.23 H new ATOM 1520 N ILE B 88 10.636 2.406 0.094 1.00 0.20 N ATOM 1521 CA ILE B 88 10.714 2.351 1.572 1.00 3.11 C ATOM 1522 C ILE B 88 12.180 2.521 2.034 1.00 21.25 C ATOM 1523 O ILE B 88 12.445 3.167 3.044 1.00 13.41 O ATOM 1524 CB ILE B 88 10.119 1.009 2.148 1.00 34.23 C ATOM 1525 CG1 ILE B 88 8.599 0.885 1.809 1.00 72.20 C ATOM 1526 CG2 ILE B 88 10.359 0.876 3.682 1.00 22.20 C ATOM 1527 CD1 ILE B 88 7.944 -0.396 2.290 1.00 12.22 C ATOM 0 H ILE B 88 10.354 1.528 -0.342 1.00 0.20 H new ATOM 0 HA ILE B 88 10.111 3.171 1.961 1.00 3.11 H new ATOM 0 HB ILE B 88 10.648 0.187 1.666 1.00 34.23 H new ATOM 0 HG12 ILE B 88 8.073 1.733 2.248 1.00 72.20 H new ATOM 0 HG13 ILE B 88 8.475 0.957 0.728 1.00 72.20 H new ATOM 0 HG21 ILE B 88 9.933 -0.063 4.037 1.00 22.20 H new ATOM 0 HG22 ILE B 88 11.430 0.888 3.885 1.00 22.20 H new ATOM 0 HG23 ILE B 88 9.882 1.709 4.198 1.00 22.20 H new ATOM 0 HD11 ILE B 88 6.891 -0.393 2.010 1.00 12.22 H new ATOM 0 HD12 ILE B 88 8.439 -1.252 1.832 1.00 12.22 H new ATOM 0 HD13 ILE B 88 8.031 -0.464 3.374 1.00 12.22 H new ATOM 1539 N ARG B 89 13.118 1.939 1.259 1.00 73.35 N ATOM 1540 CA ARG B 89 14.557 1.971 1.583 1.00 61.12 C ATOM 1541 C ARG B 89 15.134 3.426 1.604 1.00 53.24 C ATOM 1542 O ARG B 89 15.707 3.817 2.627 1.00 34.44 O ATOM 1543 CB ARG B 89 15.361 1.026 0.644 1.00 64.22 C ATOM 1544 CG ARG B 89 16.877 0.960 0.933 1.00 74.43 C ATOM 1545 CD ARG B 89 17.646 0.074 -0.064 1.00 22.24 C ATOM 1546 NE ARG B 89 19.091 0.006 0.242 1.00 73.35 N ATOM 1547 CZ ARG B 89 20.015 -0.632 -0.506 1.00 50.32 C ATOM 1548 NH1 ARG B 89 19.671 -1.265 -1.630 1.00 12.41 N ATOM 1549 NH2 ARG B 89 21.280 -0.656 -0.106 1.00 55.30 N ATOM 0 H ARG B 89 12.901 1.438 0.398 1.00 73.35 H new ATOM 0 HA ARG B 89 14.670 1.594 2.599 1.00 61.12 H new ATOM 0 HB2 ARG B 89 14.947 0.021 0.722 1.00 64.22 H new ATOM 0 HB3 ARG B 89 15.216 1.351 -0.386 1.00 64.22 H new ATOM 0 HG2 ARG B 89 17.290 1.968 0.906 1.00 74.43 H new ATOM 0 HG3 ARG B 89 17.032 0.579 1.942 1.00 74.43 H new ATOM 0 HD2 ARG B 89 17.227 -0.932 -0.051 1.00 22.24 H new ATOM 0 HD3 ARG B 89 17.509 0.463 -1.073 1.00 22.24 H new ATOM 0 HE ARG B 89 19.415 0.479 1.086 1.00 73.35 H new ATOM 0 HH11 ARG B 89 18.698 -1.271 -1.934 1.00 12.41 H new ATOM 0 HH12 ARG B 89 20.382 -1.743 -2.184 1.00 12.41 H new ATOM 0 HH21 ARG B 89 21.549 -0.194 0.763 1.00 55.30 H new ATOM 0 HH22 ARG B 89 21.983 -1.137 -0.667 1.00 55.30 H new ATOM 1563 N PRO B 90 14.998 4.270 0.508 1.00 43.01 N ATOM 1564 CA PRO B 90 15.423 5.692 0.565 1.00 70.04 C ATOM 1565 C PRO B 90 14.634 6.529 1.602 1.00 4.11 C ATOM 1566 O PRO B 90 15.222 7.407 2.230 1.00 33.10 O ATOM 1567 CB PRO B 90 15.231 6.207 -0.882 1.00 72.43 C ATOM 1568 CG PRO B 90 14.280 5.242 -1.517 1.00 34.52 C ATOM 1569 CD PRO B 90 14.539 3.914 -0.859 1.00 34.11 C ATOM 0 HA PRO B 90 16.454 5.786 0.905 1.00 70.04 H new ATOM 0 HB2 PRO B 90 14.828 7.220 -0.890 1.00 72.43 H new ATOM 0 HB3 PRO B 90 16.179 6.237 -1.419 1.00 72.43 H new ATOM 0 HG2 PRO B 90 13.247 5.557 -1.368 1.00 34.52 H new ATOM 0 HG3 PRO B 90 14.444 5.183 -2.593 1.00 34.52 H new ATOM 0 HD2 PRO B 90 13.638 3.301 -0.830 1.00 34.11 H new ATOM 0 HD3 PRO B 90 15.296 3.343 -1.397 1.00 34.11 H new ATOM 1577 N THR B 91 13.320 6.242 1.799 1.00 0.24 N ATOM 1578 CA THR B 91 12.509 6.885 2.870 1.00 41.05 C ATOM 1579 C THR B 91 13.163 6.689 4.251 1.00 72.00 C ATOM 1580 O THR B 91 13.417 7.654 4.978 1.00 54.05 O ATOM 1581 CB THR B 91 11.053 6.311 2.900 1.00 22.12 C ATOM 1582 OG1 THR B 91 10.390 6.652 1.678 1.00 3.03 O ATOM 1583 CG2 THR B 91 10.221 6.824 4.096 1.00 22.50 C ATOM 0 H THR B 91 12.800 5.572 1.232 1.00 0.24 H new ATOM 0 HA THR B 91 12.464 7.950 2.644 1.00 41.05 H new ATOM 0 HB THR B 91 11.136 5.230 3.014 1.00 22.12 H new ATOM 0 HG1 THR B 91 10.682 6.045 0.967 1.00 3.03 H new ATOM 0 HG21 THR B 91 9.222 6.389 4.058 1.00 22.50 H new ATOM 0 HG22 THR B 91 10.707 6.536 5.028 1.00 22.50 H new ATOM 0 HG23 THR B 91 10.145 7.910 4.047 1.00 22.50 H new ATOM 1591 N TYR B 92 13.482 5.425 4.553 1.00 74.33 N ATOM 1592 CA TYR B 92 14.169 5.024 5.784 1.00 40.54 C ATOM 1593 C TYR B 92 15.529 5.734 5.906 1.00 23.12 C ATOM 1594 O TYR B 92 15.914 6.177 6.991 1.00 71.50 O ATOM 1595 CB TYR B 92 14.353 3.485 5.802 1.00 72.32 C ATOM 1596 CG TYR B 92 15.044 2.964 7.070 1.00 50.03 C ATOM 1597 CD1 TYR B 92 14.404 3.030 8.305 1.00 15.43 C ATOM 1598 CD2 TYR B 92 16.335 2.430 7.039 1.00 3.45 C ATOM 1599 CE1 TYR B 92 15.022 2.601 9.447 1.00 41.41 C ATOM 1600 CE2 TYR B 92 16.957 2.001 8.191 1.00 53.33 C ATOM 1601 CZ TYR B 92 16.292 2.083 9.389 1.00 30.10 C ATOM 1602 OH TYR B 92 16.907 1.659 10.537 1.00 15.33 O ATOM 0 H TYR B 92 13.266 4.640 3.938 1.00 74.33 H new ATOM 0 HA TYR B 92 13.560 5.318 6.639 1.00 40.54 H new ATOM 0 HB2 TYR B 92 13.377 3.010 5.709 1.00 72.32 H new ATOM 0 HB3 TYR B 92 14.937 3.187 4.931 1.00 72.32 H new ATOM 0 HD1 TYR B 92 13.401 3.427 8.362 1.00 15.43 H new ATOM 0 HD2 TYR B 92 16.854 2.352 6.095 1.00 3.45 H new ATOM 0 HE1 TYR B 92 14.510 2.670 10.396 1.00 41.41 H new ATOM 0 HE2 TYR B 92 17.960 1.603 8.152 1.00 53.33 H new ATOM 0 HH TYR B 92 16.670 2.258 11.276 1.00 15.33 H new ATOM 1612 N ALA B 93 16.204 5.896 4.750 1.00 1.45 N ATOM 1613 CA ALA B 93 17.554 6.486 4.658 1.00 44.24 C ATOM 1614 C ALA B 93 17.540 8.034 4.745 1.00 5.21 C ATOM 1615 O ALA B 93 18.598 8.668 4.601 1.00 10.43 O ATOM 1616 CB ALA B 93 18.231 6.020 3.361 1.00 3.10 C ATOM 0 H ALA B 93 15.823 5.618 3.846 1.00 1.45 H new ATOM 0 HA ALA B 93 18.125 6.136 5.518 1.00 44.24 H new ATOM 0 HB1 ALA B 93 19.228 6.456 3.294 1.00 3.10 H new ATOM 0 HB2 ALA B 93 18.310 4.933 3.362 1.00 3.10 H new ATOM 0 HB3 ALA B 93 17.637 6.340 2.505 1.00 3.10 H new ATOM 1622 N GLY B 94 16.351 8.632 4.989 1.00 15.44 N ATOM 1623 CA GLY B 94 16.220 10.083 5.204 1.00 55.34 C ATOM 1624 C GLY B 94 15.862 10.893 3.956 1.00 24.41 C ATOM 1625 O GLY B 94 15.766 12.120 4.031 1.00 32.24 O ATOM 0 H GLY B 94 15.468 8.125 5.041 1.00 15.44 H new ATOM 0 HA2 GLY B 94 15.456 10.255 5.962 1.00 55.34 H new ATOM 0 HA3 GLY B 94 17.159 10.461 5.607 1.00 55.34 H new ATOM 1629 N SER B 95 15.661 10.223 2.806 1.00 14.53 N ATOM 1630 CA SER B 95 15.295 10.898 1.534 1.00 3.32 C ATOM 1631 C SER B 95 13.812 11.367 1.540 1.00 42.22 C ATOM 1632 O SER B 95 12.898 10.543 1.406 1.00 34.22 O ATOM 1633 CB SER B 95 15.566 9.942 0.347 1.00 13.34 C ATOM 1634 OG SER B 95 16.890 9.429 0.401 1.00 21.42 O ATOM 0 H SER B 95 15.745 9.210 2.726 1.00 14.53 H new ATOM 0 HA SER B 95 15.911 11.790 1.426 1.00 3.32 H new ATOM 0 HB2 SER B 95 14.852 9.119 0.367 1.00 13.34 H new ATOM 0 HB3 SER B 95 15.415 10.472 -0.594 1.00 13.34 H new ATOM 0 HG SER B 95 17.038 8.826 -0.357 1.00 21.42 H new ATOM 1640 N LYS B 96 13.608 12.694 1.739 1.00 62.32 N ATOM 1641 CA LYS B 96 12.263 13.345 1.820 1.00 51.14 C ATOM 1642 C LYS B 96 11.388 13.132 0.565 1.00 3.22 C ATOM 1643 O LYS B 96 10.170 12.962 0.683 1.00 60.11 O ATOM 1644 CB LYS B 96 12.426 14.868 2.112 1.00 34.23 C ATOM 1645 CG LYS B 96 13.266 15.642 1.072 1.00 3.23 C ATOM 1646 CD LYS B 96 13.376 17.159 1.374 1.00 32.23 C ATOM 1647 CE LYS B 96 14.057 17.470 2.722 1.00 22.41 C ATOM 1648 NZ LYS B 96 14.160 18.932 2.984 1.00 62.12 N ATOM 0 H LYS B 96 14.377 13.355 1.850 1.00 62.32 H new ATOM 0 HA LYS B 96 11.736 12.858 2.640 1.00 51.14 H new ATOM 0 HB2 LYS B 96 11.436 15.321 2.168 1.00 34.23 H new ATOM 0 HB3 LYS B 96 12.887 14.988 3.092 1.00 34.23 H new ATOM 0 HG2 LYS B 96 14.267 15.213 1.033 1.00 3.23 H new ATOM 0 HG3 LYS B 96 12.823 15.507 0.085 1.00 3.23 H new ATOM 0 HD2 LYS B 96 13.937 17.641 0.573 1.00 32.23 H new ATOM 0 HD3 LYS B 96 12.377 17.595 1.371 1.00 32.23 H new ATOM 0 HE2 LYS B 96 13.494 16.998 3.527 1.00 22.41 H new ATOM 0 HE3 LYS B 96 15.055 17.031 2.731 1.00 22.41 H new ATOM 0 HZ1 LYS B 96 14.625 19.088 3.901 1.00 62.12 H new ATOM 0 HZ2 LYS B 96 14.720 19.381 2.231 1.00 62.12 H new ATOM 0 HZ3 LYS B 96 13.208 19.349 3.003 1.00 62.12 H new ATOM 1662 N SER B 97 12.016 13.171 -0.621 1.00 14.00 N ATOM 1663 CA SER B 97 11.315 13.002 -1.912 1.00 64.05 C ATOM 1664 C SER B 97 10.729 11.583 -2.034 1.00 55.35 C ATOM 1665 O SER B 97 9.604 11.408 -2.521 1.00 2.22 O ATOM 1666 CB SER B 97 12.268 13.315 -3.083 1.00 51.41 C ATOM 1667 OG SER B 97 11.618 13.208 -4.343 1.00 54.23 O ATOM 0 H SER B 97 13.021 13.320 -0.716 1.00 14.00 H new ATOM 0 HA SER B 97 10.485 13.707 -1.952 1.00 64.05 H new ATOM 0 HB2 SER B 97 12.667 14.322 -2.966 1.00 51.41 H new ATOM 0 HB3 SER B 97 13.116 12.630 -3.053 1.00 51.41 H new ATOM 0 HG SER B 97 12.255 13.415 -5.058 1.00 54.23 H new ATOM 1673 N ALA B 98 11.504 10.586 -1.566 1.00 25.11 N ATOM 1674 CA ALA B 98 11.082 9.174 -1.535 1.00 34.55 C ATOM 1675 C ALA B 98 9.964 8.944 -0.510 1.00 53.52 C ATOM 1676 O ALA B 98 9.072 8.133 -0.751 1.00 1.44 O ATOM 1677 CB ALA B 98 12.277 8.278 -1.221 1.00 43.14 C ATOM 0 H ALA B 98 12.443 10.738 -1.198 1.00 25.11 H new ATOM 0 HA ALA B 98 10.689 8.919 -2.519 1.00 34.55 H new ATOM 0 HB1 ALA B 98 11.955 7.237 -1.200 1.00 43.14 H new ATOM 0 HB2 ALA B 98 13.040 8.407 -1.989 1.00 43.14 H new ATOM 0 HB3 ALA B 98 12.690 8.550 -0.250 1.00 43.14 H new ATOM 1683 N MET B 99 10.060 9.646 0.647 1.00 1.00 N ATOM 1684 CA MET B 99 9.028 9.615 1.713 1.00 61.03 C ATOM 1685 C MET B 99 7.679 10.103 1.179 1.00 32.44 C ATOM 1686 O MET B 99 6.657 9.436 1.333 1.00 44.45 O ATOM 1687 CB MET B 99 9.460 10.503 2.908 1.00 24.03 C ATOM 1688 CG MET B 99 8.399 10.669 4.018 1.00 44.44 C ATOM 1689 SD MET B 99 8.830 11.951 5.214 1.00 50.43 S ATOM 1690 CE MET B 99 8.987 13.401 4.165 1.00 21.30 C ATOM 0 H MET B 99 10.853 10.248 0.867 1.00 1.00 H new ATOM 0 HA MET B 99 8.923 8.583 2.048 1.00 61.03 H new ATOM 0 HB2 MET B 99 10.362 10.078 3.349 1.00 24.03 H new ATOM 0 HB3 MET B 99 9.725 11.490 2.530 1.00 24.03 H new ATOM 0 HG2 MET B 99 7.439 10.912 3.563 1.00 44.44 H new ATOM 0 HG3 MET B 99 8.274 9.720 4.539 1.00 44.44 H new ATOM 0 HE1 MET B 99 8.478 14.244 4.631 1.00 21.30 H new ATOM 0 HE2 MET B 99 10.042 13.642 4.033 1.00 21.30 H new ATOM 0 HE3 MET B 99 8.537 13.198 3.193 1.00 21.30 H new ATOM 1700 N GLU B 100 7.719 11.284 0.545 1.00 25.21 N ATOM 1701 CA GLU B 100 6.536 11.951 -0.003 1.00 51.32 C ATOM 1702 C GLU B 100 5.929 11.122 -1.147 1.00 4.35 C ATOM 1703 O GLU B 100 4.714 11.063 -1.296 1.00 13.55 O ATOM 1704 CB GLU B 100 6.915 13.380 -0.466 1.00 5.52 C ATOM 1705 CG GLU B 100 5.748 14.196 -1.041 1.00 0.42 C ATOM 1706 CD GLU B 100 6.143 15.638 -1.374 1.00 3.44 C ATOM 1707 OE1 GLU B 100 6.684 15.876 -2.478 1.00 33.15 O ATOM 1708 OE2 GLU B 100 5.927 16.540 -0.530 1.00 24.10 O ATOM 0 H GLU B 100 8.583 11.805 0.399 1.00 25.21 H new ATOM 0 HA GLU B 100 5.774 12.035 0.772 1.00 51.32 H new ATOM 0 HB2 GLU B 100 7.338 13.922 0.380 1.00 5.52 H new ATOM 0 HB3 GLU B 100 7.697 13.308 -1.221 1.00 5.52 H new ATOM 0 HG2 GLU B 100 5.378 13.708 -1.942 1.00 0.42 H new ATOM 0 HG3 GLU B 100 4.928 14.205 -0.323 1.00 0.42 H new ATOM 1715 N ARG B 101 6.801 10.458 -1.922 1.00 22.33 N ATOM 1716 CA ARG B 101 6.393 9.535 -2.995 1.00 22.41 C ATOM 1717 C ARG B 101 5.707 8.285 -2.406 1.00 64.23 C ATOM 1718 O ARG B 101 4.687 7.822 -2.929 1.00 31.43 O ATOM 1719 CB ARG B 101 7.637 9.127 -3.825 1.00 71.43 C ATOM 1720 CG ARG B 101 7.380 8.074 -4.924 1.00 33.20 C ATOM 1721 CD ARG B 101 6.380 8.529 -5.993 1.00 3.53 C ATOM 1722 NE ARG B 101 6.157 7.489 -7.009 1.00 33.21 N ATOM 1723 CZ ARG B 101 5.163 7.478 -7.911 1.00 75.13 C ATOM 1724 NH1 ARG B 101 4.262 8.457 -7.956 1.00 53.34 N ATOM 1725 NH2 ARG B 101 5.092 6.484 -8.785 1.00 25.13 N ATOM 0 H ARG B 101 7.812 10.546 -1.822 1.00 22.33 H new ATOM 0 HA ARG B 101 5.677 10.039 -3.644 1.00 22.41 H new ATOM 0 HB2 ARG B 101 8.052 10.021 -4.291 1.00 71.43 H new ATOM 0 HB3 ARG B 101 8.396 8.741 -3.145 1.00 71.43 H new ATOM 0 HG2 ARG B 101 8.326 7.827 -5.406 1.00 33.20 H new ATOM 0 HG3 ARG B 101 7.011 7.160 -4.459 1.00 33.20 H new ATOM 0 HD2 ARG B 101 5.432 8.784 -5.519 1.00 3.53 H new ATOM 0 HD3 ARG B 101 6.749 9.435 -6.474 1.00 3.53 H new ATOM 0 HE ARG B 101 6.814 6.709 -7.030 1.00 33.21 H new ATOM 0 HH11 ARG B 101 4.320 9.234 -7.297 1.00 53.34 H new ATOM 0 HH12 ARG B 101 3.514 8.430 -8.649 1.00 53.34 H new ATOM 0 HH21 ARG B 101 5.788 5.739 -8.767 1.00 25.13 H new ATOM 0 HH22 ARG B 101 4.341 6.464 -9.475 1.00 25.13 H new ATOM 1739 N LEU B 102 6.287 7.771 -1.315 1.00 3.11 N ATOM 1740 CA LEU B 102 5.816 6.560 -0.622 1.00 35.02 C ATOM 1741 C LEU B 102 4.403 6.791 -0.042 1.00 62.42 C ATOM 1742 O LEU B 102 3.508 5.945 -0.175 1.00 33.33 O ATOM 1743 CB LEU B 102 6.847 6.193 0.486 1.00 74.43 C ATOM 1744 CG LEU B 102 6.580 4.902 1.314 1.00 13.10 C ATOM 1745 CD1 LEU B 102 6.463 3.668 0.420 1.00 54.12 C ATOM 1746 CD2 LEU B 102 7.669 4.696 2.383 1.00 33.43 C ATOM 0 H LEU B 102 7.109 8.189 -0.880 1.00 3.11 H new ATOM 0 HA LEU B 102 5.740 5.726 -1.320 1.00 35.02 H new ATOM 0 HB2 LEU B 102 7.826 6.095 0.016 1.00 74.43 H new ATOM 0 HB3 LEU B 102 6.909 7.031 1.180 1.00 74.43 H new ATOM 0 HG LEU B 102 5.623 5.036 1.818 1.00 13.10 H new ATOM 0 HD11 LEU B 102 6.277 2.788 1.036 1.00 54.12 H new ATOM 0 HD12 LEU B 102 5.638 3.802 -0.279 1.00 54.12 H new ATOM 0 HD13 LEU B 102 7.391 3.532 -0.136 1.00 54.12 H new ATOM 0 HD21 LEU B 102 7.458 3.787 2.947 1.00 33.43 H new ATOM 0 HD22 LEU B 102 8.641 4.605 1.899 1.00 33.43 H new ATOM 0 HD23 LEU B 102 7.679 5.549 3.061 1.00 33.43 H new ATOM 1758 N LYS B 103 4.217 7.980 0.560 1.00 45.40 N ATOM 1759 CA LYS B 103 2.921 8.421 1.113 1.00 65.12 C ATOM 1760 C LYS B 103 1.909 8.675 -0.006 1.00 40.41 C ATOM 1761 O LYS B 103 0.755 8.273 0.099 1.00 40.21 O ATOM 1762 CB LYS B 103 3.097 9.706 1.963 1.00 23.30 C ATOM 1763 CG LYS B 103 4.052 9.547 3.160 1.00 11.01 C ATOM 1764 CD LYS B 103 4.276 10.863 3.937 1.00 51.04 C ATOM 1765 CE LYS B 103 2.989 11.396 4.587 1.00 23.22 C ATOM 1766 NZ LYS B 103 3.235 12.641 5.357 1.00 30.30 N ATOM 0 H LYS B 103 4.963 8.665 0.678 1.00 45.40 H new ATOM 0 HA LYS B 103 2.543 7.623 1.752 1.00 65.12 H new ATOM 0 HB2 LYS B 103 3.468 10.505 1.321 1.00 23.30 H new ATOM 0 HB3 LYS B 103 2.121 10.021 2.331 1.00 23.30 H new ATOM 0 HG2 LYS B 103 3.651 8.795 3.839 1.00 11.01 H new ATOM 0 HG3 LYS B 103 5.012 9.175 2.804 1.00 11.01 H new ATOM 0 HD2 LYS B 103 5.028 10.700 4.710 1.00 51.04 H new ATOM 0 HD3 LYS B 103 4.674 11.617 3.258 1.00 51.04 H new ATOM 0 HE2 LYS B 103 2.244 11.588 3.815 1.00 23.22 H new ATOM 0 HE3 LYS B 103 2.574 10.636 5.248 1.00 23.22 H new ATOM 0 HZ1 LYS B 103 2.344 12.969 5.780 1.00 30.30 H new ATOM 0 HZ2 LYS B 103 3.927 12.452 6.110 1.00 30.30 H new ATOM 0 HZ3 LYS B 103 3.607 13.375 4.721 1.00 30.30 H new ATOM 1780 N ARG B 104 2.369 9.335 -1.079 1.00 3.40 N ATOM 1781 CA ARG B 104 1.521 9.685 -2.236 1.00 41.50 C ATOM 1782 C ARG B 104 1.103 8.426 -3.014 1.00 53.44 C ATOM 1783 O ARG B 104 0.069 8.413 -3.693 1.00 31.35 O ATOM 1784 CB ARG B 104 2.266 10.680 -3.156 1.00 52.42 C ATOM 1785 CG ARG B 104 1.417 11.259 -4.300 1.00 52.03 C ATOM 1786 CD ARG B 104 2.188 12.248 -5.191 1.00 72.04 C ATOM 1787 NE ARG B 104 1.362 12.698 -6.320 1.00 71.53 N ATOM 1788 CZ ARG B 104 1.584 13.780 -7.080 1.00 23.11 C ATOM 1789 NH1 ARG B 104 2.627 14.577 -6.856 1.00 11.21 N ATOM 1790 NH2 ARG B 104 0.741 14.058 -8.063 1.00 53.44 N ATOM 0 H ARG B 104 3.337 9.642 -1.173 1.00 3.40 H new ATOM 0 HA ARG B 104 0.613 10.163 -1.869 1.00 41.50 H new ATOM 0 HB2 ARG B 104 2.642 11.503 -2.549 1.00 52.42 H new ATOM 0 HB3 ARG B 104 3.133 10.178 -3.584 1.00 52.42 H new ATOM 0 HG2 ARG B 104 1.044 10.441 -4.916 1.00 52.03 H new ATOM 0 HG3 ARG B 104 0.547 11.763 -3.878 1.00 52.03 H new ATOM 0 HD2 ARG B 104 2.500 13.108 -4.599 1.00 72.04 H new ATOM 0 HD3 ARG B 104 3.095 11.774 -5.566 1.00 72.04 H new ATOM 0 HE ARG B 104 0.543 12.134 -6.547 1.00 71.53 H new ATOM 0 HH11 ARG B 104 3.274 14.369 -6.095 1.00 11.21 H new ATOM 0 HH12 ARG B 104 2.779 15.396 -7.445 1.00 11.21 H new ATOM 0 HH21 ARG B 104 -0.062 13.453 -8.232 1.00 53.44 H new ATOM 0 HH22 ARG B 104 0.895 14.877 -8.651 1.00 53.44 H new ATOM 1804 N GLY B 105 1.918 7.371 -2.886 1.00 15.13 N ATOM 1805 CA GLY B 105 1.586 6.066 -3.432 1.00 21.01 C ATOM 1806 C GLY B 105 0.454 5.420 -2.657 1.00 51.43 C ATOM 1807 O GLY B 105 -0.417 4.800 -3.241 1.00 0.20 O ATOM 0 H GLY B 105 2.816 7.406 -2.404 1.00 15.13 H new ATOM 0 HA2 GLY B 105 1.301 6.169 -4.479 1.00 21.01 H new ATOM 0 HA3 GLY B 105 2.465 5.422 -3.402 1.00 21.01 H new ATOM 1811 N ILE B 106 0.478 5.604 -1.328 1.00 14.12 N ATOM 1812 CA ILE B 106 -0.582 5.140 -0.409 1.00 20.32 C ATOM 1813 C ILE B 106 -1.865 6.008 -0.528 1.00 61.55 C ATOM 1814 O ILE B 106 -2.971 5.520 -0.295 1.00 51.54 O ATOM 1815 CB ILE B 106 -0.002 5.052 1.071 1.00 63.14 C ATOM 1816 CG1 ILE B 106 0.579 3.617 1.318 1.00 54.00 C ATOM 1817 CG2 ILE B 106 -1.022 5.447 2.164 1.00 43.43 C ATOM 1818 CD1 ILE B 106 1.283 3.407 2.636 1.00 64.31 C ATOM 0 H ILE B 106 1.242 6.084 -0.852 1.00 14.12 H new ATOM 0 HA ILE B 106 -0.896 4.136 -0.693 1.00 20.32 H new ATOM 0 HB ILE B 106 0.796 5.790 1.151 1.00 63.14 H new ATOM 0 HG12 ILE B 106 -0.238 2.899 1.246 1.00 54.00 H new ATOM 0 HG13 ILE B 106 1.278 3.386 0.514 1.00 54.00 H new ATOM 0 HG21 ILE B 106 -0.555 5.362 3.145 1.00 43.43 H new ATOM 0 HG22 ILE B 106 -1.347 6.475 2.004 1.00 43.43 H new ATOM 0 HG23 ILE B 106 -1.884 4.782 2.114 1.00 43.43 H new ATOM 0 HD11 ILE B 106 1.643 2.380 2.697 1.00 64.31 H new ATOM 0 HD12 ILE B 106 2.127 4.092 2.711 1.00 64.31 H new ATOM 0 HD13 ILE B 106 0.588 3.597 3.454 1.00 64.31 H new ATOM 1830 N ILE B 107 -1.707 7.276 -0.926 1.00 74.32 N ATOM 1831 CA ILE B 107 -2.845 8.160 -1.260 1.00 1.33 C ATOM 1832 C ILE B 107 -3.533 7.630 -2.536 1.00 54.12 C ATOM 1833 O ILE B 107 -4.763 7.471 -2.586 1.00 54.44 O ATOM 1834 CB ILE B 107 -2.361 9.654 -1.441 1.00 53.34 C ATOM 1835 CG1 ILE B 107 -1.816 10.214 -0.083 1.00 15.11 C ATOM 1836 CG2 ILE B 107 -3.484 10.558 -2.013 1.00 21.55 C ATOM 1837 CD1 ILE B 107 -1.224 11.610 -0.162 1.00 13.45 C ATOM 0 H ILE B 107 -0.795 7.722 -1.027 1.00 74.32 H new ATOM 0 HA ILE B 107 -3.565 8.155 -0.442 1.00 1.33 H new ATOM 0 HB ILE B 107 -1.550 9.660 -2.169 1.00 53.34 H new ATOM 0 HG12 ILE B 107 -2.628 10.220 0.644 1.00 15.11 H new ATOM 0 HG13 ILE B 107 -1.054 9.532 0.296 1.00 15.11 H new ATOM 0 HG21 ILE B 107 -3.111 11.576 -2.122 1.00 21.55 H new ATOM 0 HG22 ILE B 107 -3.796 10.179 -2.986 1.00 21.55 H new ATOM 0 HG23 ILE B 107 -4.336 10.555 -1.333 1.00 21.55 H new ATOM 0 HD11 ILE B 107 -0.873 11.913 0.825 1.00 13.45 H new ATOM 0 HD12 ILE B 107 -0.387 11.611 -0.861 1.00 13.45 H new ATOM 0 HD13 ILE B 107 -1.986 12.309 -0.507 1.00 13.45 H new ATOM 1849 N HIS B 108 -2.695 7.309 -3.539 1.00 41.25 N ATOM 1850 CA HIS B 108 -3.135 6.704 -4.809 1.00 74.50 C ATOM 1851 C HIS B 108 -3.747 5.308 -4.559 1.00 13.44 C ATOM 1852 O HIS B 108 -4.778 4.970 -5.136 1.00 51.24 O ATOM 1853 CB HIS B 108 -1.943 6.615 -5.800 1.00 23.25 C ATOM 1854 CG HIS B 108 -2.304 6.133 -7.187 1.00 53.44 C ATOM 1855 ND1 HIS B 108 -1.553 5.211 -7.881 1.00 21.44 N ATOM 1856 CD2 HIS B 108 -3.334 6.465 -8.006 1.00 63.34 C ATOM 1857 CE1 HIS B 108 -2.098 5.002 -9.065 1.00 73.00 C ATOM 1858 NE2 HIS B 108 -3.182 5.745 -9.165 1.00 55.35 N ATOM 0 H HIS B 108 -1.688 7.463 -3.490 1.00 41.25 H new ATOM 0 HA HIS B 108 -3.905 7.336 -5.251 1.00 74.50 H new ATOM 0 HB2 HIS B 108 -1.483 7.600 -5.882 1.00 23.25 H new ATOM 0 HB3 HIS B 108 -1.191 5.945 -5.382 1.00 23.25 H new ATOM 0 HD2 HIS B 108 -4.126 7.166 -7.787 1.00 63.34 H new ATOM 0 HE1 HIS B 108 -1.719 4.334 -9.824 1.00 73.00 H new ATOM 0 HE2 HIS B 108 -3.806 5.779 -9.971 1.00 55.35 H new ATOM 1867 N ALA B 109 -3.122 4.542 -3.642 1.00 63.50 N ATOM 1868 CA ALA B 109 -3.544 3.166 -3.307 1.00 20.12 C ATOM 1869 C ALA B 109 -4.914 3.179 -2.620 1.00 43.53 C ATOM 1870 O ALA B 109 -5.795 2.404 -2.980 1.00 3.01 O ATOM 1871 CB ALA B 109 -2.502 2.473 -2.412 1.00 51.43 C ATOM 0 H ALA B 109 -2.310 4.860 -3.112 1.00 63.50 H new ATOM 0 HA ALA B 109 -3.624 2.601 -4.235 1.00 20.12 H new ATOM 0 HB1 ALA B 109 -2.837 1.462 -2.180 1.00 51.43 H new ATOM 0 HB2 ALA B 109 -1.546 2.428 -2.934 1.00 51.43 H new ATOM 0 HB3 ALA B 109 -2.384 3.037 -1.487 1.00 51.43 H new ATOM 1877 N ARG B 110 -5.079 4.127 -1.670 1.00 52.32 N ATOM 1878 CA ARG B 110 -6.336 4.316 -0.913 1.00 14.30 C ATOM 1879 C ARG B 110 -7.484 4.661 -1.864 1.00 63.13 C ATOM 1880 O ARG B 110 -8.589 4.147 -1.715 1.00 13.44 O ATOM 1881 CB ARG B 110 -6.183 5.446 0.149 1.00 63.25 C ATOM 1882 CG ARG B 110 -7.511 5.897 0.812 1.00 42.43 C ATOM 1883 CD ARG B 110 -7.336 7.086 1.761 1.00 45.33 C ATOM 1884 NE ARG B 110 -6.748 8.266 1.102 1.00 61.04 N ATOM 1885 CZ ARG B 110 -5.650 8.917 1.506 1.00 12.25 C ATOM 1886 NH1 ARG B 110 -4.976 8.515 2.585 1.00 71.01 N ATOM 1887 NH2 ARG B 110 -5.241 9.980 0.826 1.00 14.02 N ATOM 0 H ARG B 110 -4.343 4.783 -1.407 1.00 52.32 H new ATOM 0 HA ARG B 110 -6.560 3.381 -0.400 1.00 14.30 H new ATOM 0 HB2 ARG B 110 -5.502 5.104 0.928 1.00 63.25 H new ATOM 0 HB3 ARG B 110 -5.717 6.310 -0.325 1.00 63.25 H new ATOM 0 HG2 ARG B 110 -8.226 6.163 0.034 1.00 42.43 H new ATOM 0 HG3 ARG B 110 -7.937 5.059 1.364 1.00 42.43 H new ATOM 0 HD2 ARG B 110 -8.306 7.356 2.180 1.00 45.33 H new ATOM 0 HD3 ARG B 110 -6.701 6.788 2.595 1.00 45.33 H new ATOM 0 HE ARG B 110 -7.218 8.616 0.267 1.00 61.04 H new ATOM 0 HH11 ARG B 110 -5.296 7.703 3.113 1.00 71.01 H new ATOM 0 HH12 ARG B 110 -4.141 9.020 2.882 1.00 71.01 H new ATOM 0 HH21 ARG B 110 -5.761 10.292 0.006 1.00 14.02 H new ATOM 0 HH22 ARG B 110 -4.406 10.485 1.123 1.00 14.02 H new ATOM 1901 N ALA B 111 -7.185 5.518 -2.857 1.00 25.41 N ATOM 1902 CA ALA B 111 -8.171 5.973 -3.849 1.00 52.53 C ATOM 1903 C ALA B 111 -8.659 4.789 -4.699 1.00 53.10 C ATOM 1904 O ALA B 111 -9.860 4.641 -4.923 1.00 74.11 O ATOM 1905 CB ALA B 111 -7.565 7.069 -4.735 1.00 22.33 C ATOM 0 H ALA B 111 -6.254 5.913 -2.993 1.00 25.41 H new ATOM 0 HA ALA B 111 -9.030 6.392 -3.325 1.00 52.53 H new ATOM 0 HB1 ALA B 111 -8.305 7.397 -5.465 1.00 22.33 H new ATOM 0 HB2 ALA B 111 -7.267 7.915 -4.115 1.00 22.33 H new ATOM 0 HB3 ALA B 111 -6.692 6.675 -5.255 1.00 22.33 H new ATOM 1911 N LEU B 112 -7.699 3.927 -5.095 1.00 61.50 N ATOM 1912 CA LEU B 112 -7.954 2.727 -5.916 1.00 15.04 C ATOM 1913 C LEU B 112 -8.796 1.696 -5.146 1.00 25.11 C ATOM 1914 O LEU B 112 -9.690 1.078 -5.723 1.00 73.54 O ATOM 1915 CB LEU B 112 -6.619 2.098 -6.395 1.00 63.21 C ATOM 1916 CG LEU B 112 -5.772 2.977 -7.368 1.00 13.21 C ATOM 1917 CD1 LEU B 112 -4.408 2.317 -7.671 1.00 73.51 C ATOM 1918 CD2 LEU B 112 -6.555 3.302 -8.668 1.00 62.51 C ATOM 0 H LEU B 112 -6.716 4.047 -4.851 1.00 61.50 H new ATOM 0 HA LEU B 112 -8.523 3.035 -6.793 1.00 15.04 H new ATOM 0 HB2 LEU B 112 -6.012 1.868 -5.520 1.00 63.21 H new ATOM 0 HB3 LEU B 112 -6.840 1.151 -6.888 1.00 63.21 H new ATOM 0 HG LEU B 112 -5.572 3.926 -6.869 1.00 13.21 H new ATOM 0 HD11 LEU B 112 -3.840 2.952 -8.351 1.00 73.51 H new ATOM 0 HD12 LEU B 112 -3.851 2.190 -6.743 1.00 73.51 H new ATOM 0 HD13 LEU B 112 -4.570 1.343 -8.133 1.00 73.51 H new ATOM 0 HD21 LEU B 112 -5.935 3.915 -9.322 1.00 62.51 H new ATOM 0 HD22 LEU B 112 -6.814 2.374 -9.178 1.00 62.51 H new ATOM 0 HD23 LEU B 112 -7.466 3.845 -8.418 1.00 62.51 H new ATOM 1930 N VAL B 113 -8.509 1.534 -3.842 1.00 63.42 N ATOM 1931 CA VAL B 113 -9.269 0.618 -2.971 1.00 43.44 C ATOM 1932 C VAL B 113 -10.693 1.156 -2.739 1.00 34.34 C ATOM 1933 O VAL B 113 -11.664 0.419 -2.854 1.00 53.11 O ATOM 1934 CB VAL B 113 -8.553 0.379 -1.583 1.00 0.11 C ATOM 1935 CG1 VAL B 113 -9.366 -0.587 -0.681 1.00 63.34 C ATOM 1936 CG2 VAL B 113 -7.114 -0.148 -1.776 1.00 14.12 C ATOM 0 H VAL B 113 -7.753 2.027 -3.366 1.00 63.42 H new ATOM 0 HA VAL B 113 -9.320 -0.342 -3.485 1.00 43.44 H new ATOM 0 HB VAL B 113 -8.499 1.345 -1.081 1.00 0.11 H new ATOM 0 HG11 VAL B 113 -8.843 -0.728 0.265 1.00 63.34 H new ATOM 0 HG12 VAL B 113 -10.352 -0.164 -0.491 1.00 63.34 H new ATOM 0 HG13 VAL B 113 -9.474 -1.549 -1.183 1.00 63.34 H new ATOM 0 HG21 VAL B 113 -6.649 -0.302 -0.802 1.00 14.12 H new ATOM 0 HG22 VAL B 113 -7.142 -1.093 -2.318 1.00 14.12 H new ATOM 0 HG23 VAL B 113 -6.533 0.579 -2.344 1.00 14.12 H new ATOM 1946 N ARG B 114 -10.783 2.467 -2.472 1.00 33.03 N ATOM 1947 CA ARG B 114 -12.036 3.151 -2.090 1.00 4.03 C ATOM 1948 C ARG B 114 -13.082 3.087 -3.226 1.00 75.04 C ATOM 1949 O ARG B 114 -14.254 2.755 -3.000 1.00 40.40 O ATOM 1950 CB ARG B 114 -11.715 4.621 -1.725 1.00 64.43 C ATOM 1951 CG ARG B 114 -12.925 5.476 -1.299 1.00 34.43 C ATOM 1952 CD ARG B 114 -12.545 6.939 -1.000 1.00 70.50 C ATOM 1953 NE ARG B 114 -13.725 7.776 -0.705 1.00 73.51 N ATOM 1954 CZ ARG B 114 -13.749 9.125 -0.723 1.00 10.34 C ATOM 1955 NH1 ARG B 114 -12.654 9.831 -1.036 1.00 64.14 N ATOM 1956 NH2 ARG B 114 -14.878 9.755 -0.420 1.00 63.14 N ATOM 0 H ARG B 114 -9.980 3.094 -2.515 1.00 33.03 H new ATOM 0 HA ARG B 114 -12.467 2.644 -1.227 1.00 4.03 H new ATOM 0 HB2 ARG B 114 -10.985 4.625 -0.915 1.00 64.43 H new ATOM 0 HB3 ARG B 114 -11.241 5.096 -2.584 1.00 64.43 H new ATOM 0 HG2 ARG B 114 -13.676 5.454 -2.089 1.00 34.43 H new ATOM 0 HG3 ARG B 114 -13.382 5.035 -0.413 1.00 34.43 H new ATOM 0 HD2 ARG B 114 -11.861 6.968 -0.152 1.00 70.50 H new ATOM 0 HD3 ARG B 114 -12.012 7.355 -1.855 1.00 70.50 H new ATOM 0 HE ARG B 114 -14.593 7.295 -0.468 1.00 73.51 H new ATOM 0 HH11 ARG B 114 -11.785 9.349 -1.265 1.00 64.14 H new ATOM 0 HH12 ARG B 114 -12.690 10.850 -1.045 1.00 64.14 H new ATOM 0 HH21 ARG B 114 -15.712 9.220 -0.178 1.00 63.14 H new ATOM 0 HH22 ARG B 114 -14.911 10.774 -0.429 1.00 63.14 H new ATOM 1970 N GLU B 115 -12.633 3.408 -4.449 1.00 24.04 N ATOM 1971 CA GLU B 115 -13.484 3.355 -5.659 1.00 32.30 C ATOM 1972 C GLU B 115 -13.799 1.896 -6.048 1.00 14.45 C ATOM 1973 O GLU B 115 -14.841 1.618 -6.650 1.00 32.23 O ATOM 1974 CB GLU B 115 -12.797 4.103 -6.834 1.00 25.02 C ATOM 1975 CG GLU B 115 -11.480 3.466 -7.318 1.00 45.24 C ATOM 1976 CD GLU B 115 -10.733 4.313 -8.351 1.00 12.43 C ATOM 1977 OE1 GLU B 115 -9.920 5.179 -7.954 1.00 52.30 O ATOM 1978 OE2 GLU B 115 -10.968 4.129 -9.569 1.00 12.43 O ATOM 0 H GLU B 115 -11.676 3.711 -4.632 1.00 24.04 H new ATOM 0 HA GLU B 115 -14.428 3.853 -5.437 1.00 32.30 H new ATOM 0 HB2 GLU B 115 -13.492 4.151 -7.673 1.00 25.02 H new ATOM 0 HB3 GLU B 115 -12.597 5.129 -6.527 1.00 25.02 H new ATOM 0 HG2 GLU B 115 -10.830 3.299 -6.459 1.00 45.24 H new ATOM 0 HG3 GLU B 115 -11.696 2.489 -7.750 1.00 45.24 H new ATOM 1985 N CYS B 116 -12.883 0.971 -5.698 1.00 2.13 N ATOM 1986 CA CYS B 116 -13.071 -0.470 -5.940 1.00 12.01 C ATOM 1987 C CYS B 116 -14.019 -1.089 -4.901 1.00 54.22 C ATOM 1988 O CYS B 116 -14.589 -2.141 -5.148 1.00 22.31 O ATOM 1989 CB CYS B 116 -11.724 -1.207 -5.970 1.00 75.33 C ATOM 1990 SG CYS B 116 -11.839 -2.982 -6.300 1.00 61.03 S ATOM 0 H CYS B 116 -11.999 1.201 -5.243 1.00 2.13 H new ATOM 0 HA CYS B 116 -13.534 -0.584 -6.920 1.00 12.01 H new ATOM 0 HB2 CYS B 116 -11.092 -0.750 -6.732 1.00 75.33 H new ATOM 0 HB3 CYS B 116 -11.224 -1.061 -5.012 1.00 75.33 H new ATOM 0 HG CYS B 116 -13.021 -3.410 -5.968 1.00 61.03 H new ATOM 1996 N LEU B 117 -14.193 -0.425 -3.740 1.00 34.11 N ATOM 1997 CA LEU B 117 -15.188 -0.841 -2.724 1.00 13.12 C ATOM 1998 C LEU B 117 -16.620 -0.730 -3.282 1.00 52.41 C ATOM 1999 O LEU B 117 -17.507 -1.462 -2.854 1.00 72.25 O ATOM 2000 CB LEU B 117 -15.038 0.004 -1.424 1.00 2.14 C ATOM 2001 CG LEU B 117 -13.765 -0.272 -0.557 1.00 12.15 C ATOM 2002 CD1 LEU B 117 -13.636 0.733 0.610 1.00 23.22 C ATOM 2003 CD2 LEU B 117 -13.761 -1.720 -0.040 1.00 42.35 C ATOM 0 H LEU B 117 -13.657 0.403 -3.480 1.00 34.11 H new ATOM 0 HA LEU B 117 -15.000 -1.885 -2.475 1.00 13.12 H new ATOM 0 HB2 LEU B 117 -15.041 1.059 -1.700 1.00 2.14 H new ATOM 0 HB3 LEU B 117 -15.918 -0.166 -0.803 1.00 2.14 H new ATOM 0 HG LEU B 117 -12.895 -0.134 -1.199 1.00 12.15 H new ATOM 0 HD11 LEU B 117 -12.740 0.507 1.187 1.00 23.22 H new ATOM 0 HD12 LEU B 117 -13.566 1.745 0.212 1.00 23.22 H new ATOM 0 HD13 LEU B 117 -14.512 0.656 1.255 1.00 23.22 H new ATOM 0 HD21 LEU B 117 -12.867 -1.890 0.560 1.00 42.35 H new ATOM 0 HD22 LEU B 117 -14.647 -1.890 0.572 1.00 42.35 H new ATOM 0 HD23 LEU B 117 -13.766 -2.408 -0.885 1.00 42.35 H new