USER MOD reduce.3.24.130724 H: found=0, std=0, add=696, rem=0, adj=22 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: B 99 MET CE :methyl -137:sc= -0.604 (180deg=-1.24) USER MOD Set 1.2: B 103 LYS NZ :NH3+ -140:sc= 0.394 (180deg=-0.461) USER MOD Set 2.1: A 84 MET CE :methyl -167:sc= -1.33 (180deg=-1.62) USER MOD Set 2.2: B 84 MET CE :methyl 176:sc= -1.62 (180deg=-1.78) USER MOD Single : A 75 THR OG1 : rot 29:sc= 0.227 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ -116:sc= 0.484 (180deg=0.14) USER MOD Single : A 91 THR OG1 : rot 90:sc= 1.23 USER MOD Single : A 92 TYR OH : rot -41:sc= -0.156 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ -140:sc= 0.311 (180deg=0) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl -162:sc= -0.333 (180deg=-0.877) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 HIS : no HD1:sc= -0.913 X(o=-0.91,f=-0.49) USER MOD Single : B 75 THR OG1 : rot 35:sc= 0.282 USER MOD Single : B 79 SER OG : rot 180:sc= 0 USER MOD Single : B 86 LYS NZ :NH3+ 167:sc= 0.384 (180deg=0.284) USER MOD Single : B 91 THR OG1 : rot 84:sc= 0.858 USER MOD Single : B 92 TYR OH : rot -22:sc= -0.743 USER MOD Single : B 95 SER OG : rot 180:sc= 0 USER MOD Single : B 96 LYS NZ :NH3+ 143:sc= 0.725 (180deg=0.0943) USER MOD Single : B 97 SER OG : rot 180:sc= 0 USER MOD Single : B 108 HIS : no HD1:sc= -0.062 X(o=-0.062,f=-0.067) USER MOD Single : B 116 CYS SG : rot 91:sc= 0.459 USER MOD ----------------------------------------------------------------- ATOM 241 N THR A 75 -11.921 -4.062 2.389 1.00 64.51 N ATOM 242 CA THR A 75 -11.895 -2.914 3.318 1.00 12.54 C ATOM 243 C THR A 75 -10.715 -3.051 4.303 1.00 44.33 C ATOM 244 O THR A 75 -10.205 -2.053 4.830 1.00 21.22 O ATOM 245 CB THR A 75 -13.248 -2.813 4.093 1.00 73.13 C ATOM 246 OG1 THR A 75 -14.338 -2.889 3.158 1.00 74.31 O ATOM 247 CG2 THR A 75 -13.371 -1.504 4.904 1.00 23.23 C ATOM 0 HA THR A 75 -11.759 -1.999 2.741 1.00 12.54 H new ATOM 0 HB THR A 75 -13.280 -3.643 4.799 1.00 73.13 H new ATOM 0 HG1 THR A 75 -14.066 -3.420 2.381 1.00 74.31 H new ATOM 0 HG21 THR A 75 -14.330 -1.486 5.423 1.00 23.23 H new ATOM 0 HG22 THR A 75 -12.563 -1.451 5.633 1.00 23.23 H new ATOM 0 HG23 THR A 75 -13.308 -0.650 4.229 1.00 23.23 H new ATOM 255 N ASP A 76 -10.282 -4.309 4.532 1.00 23.05 N ATOM 256 CA ASP A 76 -9.064 -4.624 5.286 1.00 42.21 C ATOM 257 C ASP A 76 -7.864 -4.078 4.523 1.00 61.22 C ATOM 258 O ASP A 76 -6.983 -3.469 5.115 1.00 24.55 O ATOM 259 CB ASP A 76 -8.894 -6.156 5.515 1.00 15.12 C ATOM 260 CG ASP A 76 -9.739 -6.740 6.666 1.00 53.13 C ATOM 261 OD1 ASP A 76 -9.390 -6.525 7.844 1.00 63.35 O ATOM 262 OD2 ASP A 76 -10.744 -7.436 6.410 1.00 54.14 O ATOM 0 H ASP A 76 -10.775 -5.135 4.194 1.00 23.05 H new ATOM 0 HA ASP A 76 -9.139 -4.160 6.269 1.00 42.21 H new ATOM 0 HB2 ASP A 76 -9.153 -6.677 4.593 1.00 15.12 H new ATOM 0 HB3 ASP A 76 -7.843 -6.364 5.714 1.00 15.12 H new ATOM 267 N LEU A 77 -7.875 -4.282 3.194 1.00 1.32 N ATOM 268 CA LEU A 77 -6.847 -3.753 2.280 1.00 74.33 C ATOM 269 C LEU A 77 -6.823 -2.213 2.327 1.00 11.43 C ATOM 270 O LEU A 77 -5.750 -1.623 2.443 1.00 54.44 O ATOM 271 CB LEU A 77 -7.092 -4.289 0.841 1.00 52.34 C ATOM 272 CG LEU A 77 -6.115 -3.801 -0.278 1.00 12.04 C ATOM 273 CD1 LEU A 77 -4.633 -3.996 0.114 1.00 32.12 C ATOM 274 CD2 LEU A 77 -6.428 -4.507 -1.616 1.00 4.43 C ATOM 0 H LEU A 77 -8.601 -4.821 2.721 1.00 1.32 H new ATOM 0 HA LEU A 77 -5.865 -4.099 2.601 1.00 74.33 H new ATOM 0 HB2 LEU A 77 -7.051 -5.378 0.874 1.00 52.34 H new ATOM 0 HB3 LEU A 77 -8.106 -4.017 0.547 1.00 52.34 H new ATOM 0 HG LEU A 77 -6.272 -2.730 -0.402 1.00 12.04 H new ATOM 0 HD11 LEU A 77 -3.993 -3.643 -0.695 1.00 32.12 H new ATOM 0 HD12 LEU A 77 -4.419 -3.430 1.020 1.00 32.12 H new ATOM 0 HD13 LEU A 77 -4.440 -5.054 0.293 1.00 32.12 H new ATOM 0 HD21 LEU A 77 -5.738 -4.155 -2.383 1.00 4.43 H new ATOM 0 HD22 LEU A 77 -6.316 -5.584 -1.494 1.00 4.43 H new ATOM 0 HD23 LEU A 77 -7.451 -4.280 -1.916 1.00 4.43 H new ATOM 286 N LEU A 78 -8.021 -1.597 2.300 1.00 44.10 N ATOM 287 CA LEU A 78 -8.209 -0.125 2.439 1.00 44.33 C ATOM 288 C LEU A 78 -7.542 0.398 3.736 1.00 71.43 C ATOM 289 O LEU A 78 -6.918 1.473 3.757 1.00 52.22 O ATOM 290 CB LEU A 78 -9.733 0.203 2.442 1.00 5.44 C ATOM 291 CG LEU A 78 -10.149 1.710 2.410 1.00 42.13 C ATOM 292 CD1 LEU A 78 -9.600 2.431 1.161 1.00 62.23 C ATOM 293 CD2 LEU A 78 -11.689 1.850 2.499 1.00 51.21 C ATOM 0 H LEU A 78 -8.898 -2.104 2.180 1.00 44.10 H new ATOM 0 HA LEU A 78 -7.732 0.373 1.595 1.00 44.33 H new ATOM 0 HB2 LEU A 78 -10.184 -0.288 1.580 1.00 5.44 H new ATOM 0 HB3 LEU A 78 -10.172 -0.248 3.332 1.00 5.44 H new ATOM 0 HG LEU A 78 -9.706 2.193 3.281 1.00 42.13 H new ATOM 0 HD11 LEU A 78 -9.912 3.475 1.177 1.00 62.23 H new ATOM 0 HD12 LEU A 78 -8.511 2.377 1.159 1.00 62.23 H new ATOM 0 HD13 LEU A 78 -9.989 1.950 0.263 1.00 62.23 H new ATOM 0 HD21 LEU A 78 -11.960 2.905 2.475 1.00 51.21 H new ATOM 0 HD22 LEU A 78 -12.150 1.338 1.655 1.00 51.21 H new ATOM 0 HD23 LEU A 78 -12.042 1.405 3.430 1.00 51.21 H new ATOM 305 N SER A 79 -7.674 -0.410 4.799 1.00 2.22 N ATOM 306 CA SER A 79 -7.136 -0.109 6.129 1.00 54.22 C ATOM 307 C SER A 79 -5.604 -0.339 6.190 1.00 52.24 C ATOM 308 O SER A 79 -4.903 0.416 6.863 1.00 11.53 O ATOM 309 CB SER A 79 -7.875 -0.962 7.184 1.00 12.02 C ATOM 310 OG SER A 79 -7.492 -0.622 8.502 1.00 23.35 O ATOM 0 H SER A 79 -8.165 -1.303 4.755 1.00 2.22 H new ATOM 0 HA SER A 79 -7.302 0.946 6.345 1.00 54.22 H new ATOM 0 HB2 SER A 79 -8.951 -0.825 7.072 1.00 12.02 H new ATOM 0 HB3 SER A 79 -7.668 -2.017 7.007 1.00 12.02 H new ATOM 0 HG SER A 79 -7.982 -1.182 9.140 1.00 23.35 H new ATOM 316 N VAL A 80 -5.090 -1.370 5.469 1.00 50.05 N ATOM 317 CA VAL A 80 -3.633 -1.668 5.409 1.00 3.42 C ATOM 318 C VAL A 80 -2.898 -0.493 4.759 1.00 21.02 C ATOM 319 O VAL A 80 -1.867 -0.051 5.267 1.00 11.21 O ATOM 320 CB VAL A 80 -3.314 -3.002 4.614 1.00 34.44 C ATOM 321 CG1 VAL A 80 -1.789 -3.244 4.453 1.00 11.33 C ATOM 322 CG2 VAL A 80 -3.976 -4.222 5.281 1.00 34.52 C ATOM 0 H VAL A 80 -5.664 -2.010 4.920 1.00 50.05 H new ATOM 0 HA VAL A 80 -3.289 -1.814 6.433 1.00 3.42 H new ATOM 0 HB VAL A 80 -3.735 -2.874 3.617 1.00 34.44 H new ATOM 0 HG11 VAL A 80 -1.624 -4.170 3.902 1.00 11.33 H new ATOM 0 HG12 VAL A 80 -1.344 -2.412 3.907 1.00 11.33 H new ATOM 0 HG13 VAL A 80 -1.327 -3.320 5.437 1.00 11.33 H new ATOM 0 HG21 VAL A 80 -3.739 -5.121 4.712 1.00 34.52 H new ATOM 0 HG22 VAL A 80 -3.602 -4.327 6.299 1.00 34.52 H new ATOM 0 HG23 VAL A 80 -5.057 -4.082 5.304 1.00 34.52 H new ATOM 332 N ILE A 81 -3.470 0.015 3.646 1.00 52.12 N ATOM 333 CA ILE A 81 -2.952 1.195 2.926 1.00 4.03 C ATOM 334 C ILE A 81 -2.766 2.377 3.896 1.00 40.15 C ATOM 335 O ILE A 81 -1.701 3.002 3.947 1.00 10.23 O ATOM 336 CB ILE A 81 -3.913 1.628 1.749 1.00 72.30 C ATOM 337 CG1 ILE A 81 -4.188 0.457 0.754 1.00 3.23 C ATOM 338 CG2 ILE A 81 -3.359 2.848 0.998 1.00 3.04 C ATOM 339 CD1 ILE A 81 -2.959 -0.177 0.124 1.00 11.01 C ATOM 0 H ILE A 81 -4.307 -0.384 3.221 1.00 52.12 H new ATOM 0 HA ILE A 81 -1.989 0.917 2.498 1.00 4.03 H new ATOM 0 HB ILE A 81 -4.863 1.904 2.206 1.00 72.30 H new ATOM 0 HG12 ILE A 81 -4.745 -0.319 1.280 1.00 3.23 H new ATOM 0 HG13 ILE A 81 -4.832 0.827 -0.044 1.00 3.23 H new ATOM 0 HG21 ILE A 81 -4.042 3.122 0.194 1.00 3.04 H new ATOM 0 HG22 ILE A 81 -3.257 3.685 1.689 1.00 3.04 H new ATOM 0 HG23 ILE A 81 -2.383 2.604 0.577 1.00 3.04 H new ATOM 0 HD11 ILE A 81 -3.267 -0.978 -0.548 1.00 11.01 H new ATOM 0 HD12 ILE A 81 -2.408 0.577 -0.438 1.00 11.01 H new ATOM 0 HD13 ILE A 81 -2.319 -0.586 0.906 1.00 11.01 H new ATOM 351 N GLU A 82 -3.816 2.624 4.686 1.00 23.30 N ATOM 352 CA GLU A 82 -3.871 3.722 5.656 1.00 55.23 C ATOM 353 C GLU A 82 -2.761 3.591 6.726 1.00 72.15 C ATOM 354 O GLU A 82 -2.014 4.546 6.978 1.00 64.20 O ATOM 355 CB GLU A 82 -5.266 3.719 6.327 1.00 43.33 C ATOM 356 CG GLU A 82 -5.548 4.901 7.274 1.00 14.01 C ATOM 357 CD GLU A 82 -5.594 6.258 6.556 1.00 31.33 C ATOM 358 OE1 GLU A 82 -6.491 6.454 5.705 1.00 45.42 O ATOM 359 OE2 GLU A 82 -4.740 7.133 6.827 1.00 71.34 O ATOM 0 H GLU A 82 -4.664 2.058 4.669 1.00 23.30 H new ATOM 0 HA GLU A 82 -3.706 4.664 5.133 1.00 55.23 H new ATOM 0 HB2 GLU A 82 -6.026 3.713 5.546 1.00 43.33 H new ATOM 0 HB3 GLU A 82 -5.378 2.791 6.888 1.00 43.33 H new ATOM 0 HG2 GLU A 82 -6.499 4.733 7.780 1.00 14.01 H new ATOM 0 HG3 GLU A 82 -4.778 4.932 8.045 1.00 14.01 H new ATOM 366 N GLU A 83 -2.649 2.390 7.323 1.00 5.33 N ATOM 367 CA GLU A 83 -1.720 2.129 8.442 1.00 74.12 C ATOM 368 C GLU A 83 -0.254 2.201 7.997 1.00 40.12 C ATOM 369 O GLU A 83 0.590 2.725 8.732 1.00 10.03 O ATOM 370 CB GLU A 83 -2.026 0.763 9.105 1.00 31.33 C ATOM 371 CG GLU A 83 -3.435 0.664 9.719 1.00 53.32 C ATOM 372 CD GLU A 83 -3.760 1.808 10.701 1.00 52.30 C ATOM 373 OE1 GLU A 83 -3.252 1.791 11.844 1.00 75.12 O ATOM 374 OE2 GLU A 83 -4.511 2.739 10.335 1.00 40.32 O ATOM 0 H GLU A 83 -3.197 1.575 7.046 1.00 5.33 H new ATOM 0 HA GLU A 83 -1.875 2.915 9.181 1.00 74.12 H new ATOM 0 HB2 GLU A 83 -1.910 -0.024 8.360 1.00 31.33 H new ATOM 0 HB3 GLU A 83 -1.288 0.576 9.885 1.00 31.33 H new ATOM 0 HG2 GLU A 83 -4.173 0.664 8.917 1.00 53.32 H new ATOM 0 HG3 GLU A 83 -3.530 -0.289 10.240 1.00 53.32 H new ATOM 381 N MET A 84 0.030 1.689 6.782 1.00 72.44 N ATOM 382 CA MET A 84 1.359 1.806 6.147 1.00 35.45 C ATOM 383 C MET A 84 1.717 3.284 5.956 1.00 53.02 C ATOM 384 O MET A 84 2.848 3.693 6.232 1.00 64.32 O ATOM 385 CB MET A 84 1.409 1.059 4.787 1.00 34.24 C ATOM 386 CG MET A 84 1.286 -0.462 4.900 1.00 33.53 C ATOM 387 SD MET A 84 1.498 -1.306 3.321 1.00 40.41 S ATOM 388 CE MET A 84 0.181 -0.635 2.309 1.00 55.41 C ATOM 0 H MET A 84 -0.652 1.185 6.215 1.00 72.44 H new ATOM 0 HA MET A 84 2.091 1.339 6.806 1.00 35.45 H new ATOM 0 HB2 MET A 84 0.605 1.431 4.152 1.00 34.24 H new ATOM 0 HB3 MET A 84 2.347 1.300 4.288 1.00 34.24 H new ATOM 0 HG2 MET A 84 2.031 -0.830 5.605 1.00 33.53 H new ATOM 0 HG3 MET A 84 0.308 -0.712 5.311 1.00 33.53 H new ATOM 0 HE1 MET A 84 0.070 -1.239 1.409 1.00 55.41 H new ATOM 0 HE2 MET A 84 -0.752 -0.647 2.872 1.00 55.41 H new ATOM 0 HE3 MET A 84 0.423 0.391 2.030 1.00 55.41 H new ATOM 398 N GLY A 85 0.699 4.080 5.563 1.00 53.24 N ATOM 399 CA GLY A 85 0.838 5.528 5.389 1.00 74.23 C ATOM 400 C GLY A 85 1.270 6.270 6.641 1.00 22.11 C ATOM 401 O GLY A 85 1.943 7.292 6.552 1.00 24.02 O ATOM 0 H GLY A 85 -0.237 3.730 5.360 1.00 53.24 H new ATOM 0 HA2 GLY A 85 1.564 5.719 4.599 1.00 74.23 H new ATOM 0 HA3 GLY A 85 -0.115 5.934 5.051 1.00 74.23 H new ATOM 405 N LYS A 86 0.909 5.717 7.799 1.00 34.12 N ATOM 406 CA LYS A 86 1.220 6.296 9.113 1.00 24.02 C ATOM 407 C LYS A 86 2.611 5.819 9.572 1.00 60.12 C ATOM 408 O LYS A 86 3.364 6.579 10.187 1.00 42.42 O ATOM 409 CB LYS A 86 0.115 5.865 10.113 1.00 4.21 C ATOM 410 CG LYS A 86 -1.308 6.323 9.700 1.00 5.51 C ATOM 411 CD LYS A 86 -2.440 5.472 10.329 1.00 60.22 C ATOM 412 CE LYS A 86 -2.548 5.597 11.854 1.00 70.14 C ATOM 413 NZ LYS A 86 -3.669 4.777 12.399 1.00 65.33 N ATOM 0 H LYS A 86 0.386 4.843 7.855 1.00 34.12 H new ATOM 0 HA LYS A 86 1.243 7.384 9.060 1.00 24.02 H new ATOM 0 HB2 LYS A 86 0.125 4.779 10.207 1.00 4.21 H new ATOM 0 HB3 LYS A 86 0.348 6.273 11.097 1.00 4.21 H new ATOM 0 HG2 LYS A 86 -1.444 7.365 9.990 1.00 5.51 H new ATOM 0 HG3 LYS A 86 -1.393 6.281 8.614 1.00 5.51 H new ATOM 0 HD2 LYS A 86 -3.390 5.766 9.883 1.00 60.22 H new ATOM 0 HD3 LYS A 86 -2.278 4.425 10.072 1.00 60.22 H new ATOM 0 HE2 LYS A 86 -1.611 5.281 12.312 1.00 70.14 H new ATOM 0 HE3 LYS A 86 -2.698 6.642 12.123 1.00 70.14 H new ATOM 0 HZ1 LYS A 86 -4.380 5.403 12.828 1.00 65.33 H new ATOM 0 HZ2 LYS A 86 -4.107 4.232 11.629 1.00 65.33 H new ATOM 0 HZ3 LYS A 86 -3.302 4.124 13.120 1.00 65.33 H new ATOM 427 N GLU A 87 2.975 4.583 9.182 1.00 35.43 N ATOM 428 CA GLU A 87 4.259 3.946 9.565 1.00 63.22 C ATOM 429 C GLU A 87 5.452 4.504 8.782 1.00 75.13 C ATOM 430 O GLU A 87 6.594 4.171 9.083 1.00 51.44 O ATOM 431 CB GLU A 87 4.167 2.402 9.391 1.00 54.44 C ATOM 432 CG GLU A 87 3.267 1.721 10.433 1.00 43.32 C ATOM 433 CD GLU A 87 3.741 1.991 11.873 1.00 61.21 C ATOM 434 OE1 GLU A 87 4.822 1.490 12.249 1.00 33.10 O ATOM 435 OE2 GLU A 87 3.043 2.707 12.634 1.00 21.43 O ATOM 0 H GLU A 87 2.389 3.993 8.591 1.00 35.43 H new ATOM 0 HA GLU A 87 4.433 4.182 10.615 1.00 63.22 H new ATOM 0 HB2 GLU A 87 3.788 2.179 8.394 1.00 54.44 H new ATOM 0 HB3 GLU A 87 5.169 1.977 9.454 1.00 54.44 H new ATOM 0 HG2 GLU A 87 2.244 2.078 10.316 1.00 43.32 H new ATOM 0 HG3 GLU A 87 3.253 0.646 10.252 1.00 43.32 H new ATOM 442 N ILE A 88 5.169 5.383 7.811 1.00 1.13 N ATOM 443 CA ILE A 88 6.187 6.077 7.016 1.00 15.43 C ATOM 444 C ILE A 88 7.001 7.041 7.897 1.00 31.10 C ATOM 445 O ILE A 88 8.203 7.193 7.693 1.00 32.12 O ATOM 446 CB ILE A 88 5.507 6.858 5.831 1.00 55.11 C ATOM 447 CG1 ILE A 88 4.759 5.861 4.897 1.00 41.02 C ATOM 448 CG2 ILE A 88 6.522 7.721 5.034 1.00 34.03 C ATOM 449 CD1 ILE A 88 3.954 6.509 3.795 1.00 21.05 C ATOM 0 H ILE A 88 4.214 5.634 7.554 1.00 1.13 H new ATOM 0 HA ILE A 88 6.870 5.335 6.603 1.00 15.43 H new ATOM 0 HB ILE A 88 4.784 7.551 6.261 1.00 55.11 H new ATOM 0 HG12 ILE A 88 5.489 5.188 4.447 1.00 41.02 H new ATOM 0 HG13 ILE A 88 4.092 5.248 5.503 1.00 41.02 H new ATOM 0 HG21 ILE A 88 6.004 8.240 4.227 1.00 34.03 H new ATOM 0 HG22 ILE A 88 6.980 8.452 5.700 1.00 34.03 H new ATOM 0 HG23 ILE A 88 7.295 7.078 4.614 1.00 34.03 H new ATOM 0 HD11 ILE A 88 3.469 5.738 3.197 1.00 21.05 H new ATOM 0 HD12 ILE A 88 3.196 7.159 4.232 1.00 21.05 H new ATOM 0 HD13 ILE A 88 4.615 7.099 3.160 1.00 21.05 H new ATOM 461 N ARG A 89 6.335 7.656 8.894 1.00 64.13 N ATOM 462 CA ARG A 89 6.962 8.674 9.763 1.00 40.32 C ATOM 463 C ARG A 89 8.075 8.068 10.686 1.00 32.24 C ATOM 464 O ARG A 89 9.206 8.573 10.653 1.00 72.03 O ATOM 465 CB ARG A 89 5.888 9.455 10.581 1.00 42.12 C ATOM 466 CG ARG A 89 6.463 10.560 11.499 1.00 0.22 C ATOM 467 CD ARG A 89 7.163 11.688 10.715 1.00 44.21 C ATOM 468 NE ARG A 89 7.986 12.540 11.590 1.00 43.44 N ATOM 469 CZ ARG A 89 9.073 13.226 11.196 1.00 44.32 C ATOM 470 NH1 ARG A 89 9.484 13.179 9.924 1.00 24.54 N ATOM 471 NH2 ARG A 89 9.765 13.928 12.083 1.00 52.11 N ATOM 0 H ARG A 89 5.359 7.465 9.119 1.00 64.13 H new ATOM 0 HA ARG A 89 7.463 9.388 9.110 1.00 40.32 H new ATOM 0 HB2 ARG A 89 5.179 9.908 9.888 1.00 42.12 H new ATOM 0 HB3 ARG A 89 5.328 8.747 11.192 1.00 42.12 H new ATOM 0 HG2 ARG A 89 5.656 10.986 12.096 1.00 0.22 H new ATOM 0 HG3 ARG A 89 7.173 10.114 12.195 1.00 0.22 H new ATOM 0 HD2 ARG A 89 7.791 11.253 9.938 1.00 44.21 H new ATOM 0 HD3 ARG A 89 6.413 12.300 10.214 1.00 44.21 H new ATOM 0 HE ARG A 89 7.710 12.615 12.569 1.00 43.44 H new ATOM 0 HH11 ARG A 89 8.971 12.619 9.243 1.00 24.54 H new ATOM 0 HH12 ARG A 89 10.310 13.703 9.635 1.00 24.54 H new ATOM 0 HH21 ARG A 89 9.472 13.946 13.060 1.00 52.11 H new ATOM 0 HH22 ARG A 89 10.590 14.450 11.788 1.00 52.11 H new ATOM 485 N PRO A 90 7.816 6.994 11.523 1.00 71.43 N ATOM 486 CA PRO A 90 8.898 6.350 12.313 1.00 21.00 C ATOM 487 C PRO A 90 9.962 5.634 11.428 1.00 74.10 C ATOM 488 O PRO A 90 11.140 5.615 11.792 1.00 23.44 O ATOM 489 CB PRO A 90 8.153 5.378 13.258 1.00 62.12 C ATOM 490 CG PRO A 90 6.811 5.144 12.626 1.00 51.55 C ATOM 491 CD PRO A 90 6.487 6.379 11.829 1.00 20.04 C ATOM 0 HA PRO A 90 9.489 7.084 12.861 1.00 21.00 H new ATOM 0 HB2 PRO A 90 8.702 4.443 13.369 1.00 62.12 H new ATOM 0 HB3 PRO A 90 8.047 5.806 14.255 1.00 62.12 H new ATOM 0 HG2 PRO A 90 6.834 4.264 11.984 1.00 51.55 H new ATOM 0 HG3 PRO A 90 6.051 4.964 13.386 1.00 51.55 H new ATOM 0 HD2 PRO A 90 5.946 6.130 10.916 1.00 20.04 H new ATOM 0 HD3 PRO A 90 5.856 7.062 12.397 1.00 20.04 H new ATOM 499 N THR A 91 9.543 5.083 10.264 1.00 3.33 N ATOM 500 CA THR A 91 10.483 4.535 9.242 1.00 31.03 C ATOM 501 C THR A 91 11.493 5.620 8.800 1.00 13.32 C ATOM 502 O THR A 91 12.707 5.398 8.775 1.00 51.13 O ATOM 503 CB THR A 91 9.704 3.996 7.994 1.00 71.52 C ATOM 504 OG1 THR A 91 8.906 2.868 8.380 1.00 73.23 O ATOM 505 CG2 THR A 91 10.620 3.588 6.818 1.00 44.31 C ATOM 0 H THR A 91 8.560 5.004 10.004 1.00 3.33 H new ATOM 0 HA THR A 91 11.025 3.706 9.697 1.00 31.03 H new ATOM 0 HB THR A 91 9.083 4.818 7.639 1.00 71.52 H new ATOM 0 HG1 THR A 91 8.021 3.176 8.668 1.00 73.23 H new ATOM 0 HG21 THR A 91 10.010 3.225 5.991 1.00 44.31 H new ATOM 0 HG22 THR A 91 11.198 4.452 6.491 1.00 44.31 H new ATOM 0 HG23 THR A 91 11.298 2.799 7.142 1.00 44.31 H new ATOM 513 N TYR A 92 10.948 6.804 8.497 1.00 3.31 N ATOM 514 CA TYR A 92 11.720 7.990 8.095 1.00 12.33 C ATOM 515 C TYR A 92 12.618 8.497 9.243 1.00 21.31 C ATOM 516 O TYR A 92 13.678 9.082 9.000 1.00 41.32 O ATOM 517 CB TYR A 92 10.747 9.105 7.633 1.00 13.23 C ATOM 518 CG TYR A 92 11.451 10.319 7.028 1.00 74.32 C ATOM 519 CD1 TYR A 92 12.128 10.200 5.822 1.00 32.43 C ATOM 520 CD2 TYR A 92 11.473 11.560 7.670 1.00 61.10 C ATOM 521 CE1 TYR A 92 12.785 11.262 5.275 1.00 61.14 C ATOM 522 CE2 TYR A 92 12.144 12.627 7.120 1.00 73.23 C ATOM 523 CZ TYR A 92 12.798 12.471 5.923 1.00 34.31 C ATOM 524 OH TYR A 92 13.471 13.526 5.366 1.00 53.40 O ATOM 0 H TYR A 92 9.942 6.970 8.524 1.00 3.31 H new ATOM 0 HA TYR A 92 12.375 7.713 7.269 1.00 12.33 H new ATOM 0 HB2 TYR A 92 10.057 8.692 6.897 1.00 13.23 H new ATOM 0 HB3 TYR A 92 10.149 9.429 8.484 1.00 13.23 H new ATOM 0 HD1 TYR A 92 12.134 9.250 5.308 1.00 32.43 H new ATOM 0 HD2 TYR A 92 10.956 11.683 8.610 1.00 61.10 H new ATOM 0 HE1 TYR A 92 13.296 11.151 4.330 1.00 61.14 H new ATOM 0 HE2 TYR A 92 12.156 13.581 7.626 1.00 73.23 H new ATOM 0 HH TYR A 92 14.318 13.210 4.987 1.00 53.40 H new ATOM 534 N ALA A 93 12.187 8.248 10.493 1.00 43.12 N ATOM 535 CA ALA A 93 12.931 8.638 11.712 1.00 10.24 C ATOM 536 C ALA A 93 14.098 7.676 12.015 1.00 14.23 C ATOM 537 O ALA A 93 14.811 7.855 13.013 1.00 72.11 O ATOM 538 CB ALA A 93 11.967 8.704 12.902 1.00 61.11 C ATOM 0 H ALA A 93 11.309 7.768 10.690 1.00 43.12 H new ATOM 0 HA ALA A 93 13.368 9.621 11.538 1.00 10.24 H new ATOM 0 HB1 ALA A 93 12.516 8.991 13.799 1.00 61.11 H new ATOM 0 HB2 ALA A 93 11.190 9.441 12.700 1.00 61.11 H new ATOM 0 HB3 ALA A 93 11.509 7.727 13.054 1.00 61.11 H new ATOM 544 N GLY A 94 14.284 6.659 11.155 1.00 23.55 N ATOM 545 CA GLY A 94 15.348 5.678 11.317 1.00 13.43 C ATOM 546 C GLY A 94 14.967 4.508 12.210 1.00 32.54 C ATOM 547 O GLY A 94 15.804 3.636 12.465 1.00 35.24 O ATOM 0 H GLY A 94 13.699 6.503 10.335 1.00 23.55 H new ATOM 0 HA2 GLY A 94 15.632 5.298 10.336 1.00 13.43 H new ATOM 0 HA3 GLY A 94 16.226 6.172 11.734 1.00 13.43 H new ATOM 551 N SER A 95 13.715 4.488 12.709 1.00 74.45 N ATOM 552 CA SER A 95 13.189 3.354 13.472 1.00 11.04 C ATOM 553 C SER A 95 12.986 2.142 12.539 1.00 63.33 C ATOM 554 O SER A 95 12.002 2.086 11.780 1.00 13.00 O ATOM 555 CB SER A 95 11.871 3.751 14.174 1.00 64.40 C ATOM 556 OG SER A 95 12.051 4.918 14.965 1.00 43.10 O ATOM 0 H SER A 95 13.051 5.253 12.592 1.00 74.45 H new ATOM 0 HA SER A 95 13.907 3.072 14.242 1.00 11.04 H new ATOM 0 HB2 SER A 95 11.096 3.928 13.428 1.00 64.40 H new ATOM 0 HB3 SER A 95 11.527 2.930 14.803 1.00 64.40 H new ATOM 0 HG SER A 95 11.204 5.153 15.399 1.00 43.10 H new ATOM 562 N LYS A 96 13.977 1.214 12.570 1.00 3.31 N ATOM 563 CA LYS A 96 14.004 -0.023 11.751 1.00 31.15 C ATOM 564 C LYS A 96 12.747 -0.870 11.955 1.00 12.11 C ATOM 565 O LYS A 96 12.293 -1.523 11.024 1.00 34.15 O ATOM 566 CB LYS A 96 15.318 -0.842 12.046 1.00 45.12 C ATOM 567 CG LYS A 96 15.492 -1.403 13.494 1.00 20.41 C ATOM 568 CD LYS A 96 14.842 -2.790 13.677 1.00 54.32 C ATOM 569 CE LYS A 96 14.867 -3.319 15.115 1.00 41.42 C ATOM 570 NZ LYS A 96 14.227 -4.663 15.206 1.00 4.00 N ATOM 0 H LYS A 96 14.793 1.307 13.175 1.00 3.31 H new ATOM 0 HA LYS A 96 14.012 0.266 10.700 1.00 31.15 H new ATOM 0 HB2 LYS A 96 15.358 -1.680 11.350 1.00 45.12 H new ATOM 0 HB3 LYS A 96 16.173 -0.203 11.825 1.00 45.12 H new ATOM 0 HG2 LYS A 96 16.554 -1.470 13.728 1.00 20.41 H new ATOM 0 HG3 LYS A 96 15.053 -0.704 14.205 1.00 20.41 H new ATOM 0 HD2 LYS A 96 13.807 -2.739 13.340 1.00 54.32 H new ATOM 0 HD3 LYS A 96 15.353 -3.505 13.032 1.00 54.32 H new ATOM 0 HE2 LYS A 96 15.897 -3.379 15.465 1.00 41.42 H new ATOM 0 HE3 LYS A 96 14.348 -2.621 15.771 1.00 41.42 H new ATOM 0 HZ1 LYS A 96 13.659 -4.719 16.075 1.00 4.00 H new ATOM 0 HZ2 LYS A 96 13.612 -4.811 14.380 1.00 4.00 H new ATOM 0 HZ3 LYS A 96 14.963 -5.397 15.226 1.00 4.00 H new ATOM 584 N SER A 97 12.202 -0.831 13.181 1.00 41.24 N ATOM 585 CA SER A 97 11.029 -1.613 13.564 1.00 21.40 C ATOM 586 C SER A 97 9.810 -1.279 12.676 1.00 32.32 C ATOM 587 O SER A 97 9.122 -2.187 12.182 1.00 45.24 O ATOM 588 CB SER A 97 10.709 -1.385 15.053 1.00 21.44 C ATOM 589 OG SER A 97 11.809 -1.768 15.870 1.00 50.04 O ATOM 0 H SER A 97 12.569 -0.251 13.935 1.00 41.24 H new ATOM 0 HA SER A 97 11.257 -2.668 13.412 1.00 21.40 H new ATOM 0 HB2 SER A 97 10.473 -0.334 15.222 1.00 21.44 H new ATOM 0 HB3 SER A 97 9.826 -1.959 15.332 1.00 21.44 H new ATOM 0 HG SER A 97 11.586 -1.614 16.812 1.00 50.04 H new ATOM 595 N ALA A 98 9.581 0.027 12.461 1.00 33.13 N ATOM 596 CA ALA A 98 8.493 0.535 11.605 1.00 35.24 C ATOM 597 C ALA A 98 8.732 0.175 10.136 1.00 54.20 C ATOM 598 O ALA A 98 7.784 -0.119 9.422 1.00 3.35 O ATOM 599 CB ALA A 98 8.366 2.051 11.763 1.00 60.23 C ATOM 0 H ALA A 98 10.148 0.765 12.878 1.00 33.13 H new ATOM 0 HA ALA A 98 7.563 0.063 11.921 1.00 35.24 H new ATOM 0 HB1 ALA A 98 7.560 2.417 11.127 1.00 60.23 H new ATOM 0 HB2 ALA A 98 8.145 2.291 12.803 1.00 60.23 H new ATOM 0 HB3 ALA A 98 9.302 2.527 11.472 1.00 60.23 H new ATOM 605 N MET A 99 10.013 0.217 9.708 1.00 32.54 N ATOM 606 CA MET A 99 10.444 -0.127 8.334 1.00 24.25 C ATOM 607 C MET A 99 10.139 -1.602 8.002 1.00 34.13 C ATOM 608 O MET A 99 9.629 -1.904 6.918 1.00 25.35 O ATOM 609 CB MET A 99 11.955 0.218 8.178 1.00 1.12 C ATOM 610 CG MET A 99 12.604 -0.138 6.819 1.00 62.32 C ATOM 611 SD MET A 99 13.050 -1.883 6.661 1.00 20.13 S ATOM 612 CE MET A 99 14.253 -2.074 7.977 1.00 53.42 C ATOM 0 H MET A 99 10.786 0.494 10.313 1.00 32.54 H new ATOM 0 HA MET A 99 9.878 0.464 7.614 1.00 24.25 H new ATOM 0 HB2 MET A 99 12.081 1.287 8.347 1.00 1.12 H new ATOM 0 HB3 MET A 99 12.506 -0.296 8.965 1.00 1.12 H new ATOM 0 HG2 MET A 99 11.914 0.126 6.017 1.00 62.32 H new ATOM 0 HG3 MET A 99 13.498 0.470 6.683 1.00 62.32 H new ATOM 0 HE1 MET A 99 14.839 -2.977 7.806 1.00 53.42 H new ATOM 0 HE2 MET A 99 14.915 -1.209 7.993 1.00 53.42 H new ATOM 0 HE3 MET A 99 13.736 -2.153 8.934 1.00 53.42 H new ATOM 622 N GLU A 100 10.426 -2.505 8.963 1.00 12.12 N ATOM 623 CA GLU A 100 10.139 -3.956 8.840 1.00 15.11 C ATOM 624 C GLU A 100 8.619 -4.199 8.761 1.00 72.21 C ATOM 625 O GLU A 100 8.150 -5.059 8.008 1.00 2.41 O ATOM 626 CB GLU A 100 10.738 -4.731 10.051 1.00 31.34 C ATOM 627 CG GLU A 100 12.263 -4.591 10.217 1.00 43.03 C ATOM 628 CD GLU A 100 12.806 -5.280 11.487 1.00 40.23 C ATOM 629 OE1 GLU A 100 12.493 -4.823 12.609 1.00 60.34 O ATOM 630 OE2 GLU A 100 13.542 -6.291 11.374 1.00 52.35 O ATOM 0 H GLU A 100 10.864 -2.251 9.849 1.00 12.12 H new ATOM 0 HA GLU A 100 10.602 -4.321 7.923 1.00 15.11 H new ATOM 0 HB2 GLU A 100 10.254 -4.382 10.963 1.00 31.34 H new ATOM 0 HB3 GLU A 100 10.494 -5.788 9.945 1.00 31.34 H new ATOM 0 HG2 GLU A 100 12.757 -5.015 9.343 1.00 43.03 H new ATOM 0 HG3 GLU A 100 12.522 -3.533 10.247 1.00 43.03 H new ATOM 637 N ARG A 101 7.868 -3.412 9.551 1.00 3.01 N ATOM 638 CA ARG A 101 6.396 -3.489 9.627 1.00 60.14 C ATOM 639 C ARG A 101 5.749 -2.879 8.359 1.00 31.43 C ATOM 640 O ARG A 101 4.660 -3.290 7.937 1.00 53.43 O ATOM 641 CB ARG A 101 5.912 -2.747 10.905 1.00 64.13 C ATOM 642 CG ARG A 101 4.408 -2.899 11.233 1.00 51.42 C ATOM 643 CD ARG A 101 4.004 -4.351 11.551 1.00 14.12 C ATOM 644 NE ARG A 101 2.619 -4.445 12.048 1.00 43.42 N ATOM 645 CZ ARG A 101 2.003 -5.586 12.410 1.00 3.21 C ATOM 646 NH1 ARG A 101 2.623 -6.762 12.332 1.00 61.30 N ATOM 647 NH2 ARG A 101 0.761 -5.541 12.868 1.00 23.33 N ATOM 0 H ARG A 101 8.268 -2.698 10.160 1.00 3.01 H new ATOM 0 HA ARG A 101 6.092 -4.534 9.682 1.00 60.14 H new ATOM 0 HB2 ARG A 101 6.490 -3.109 11.755 1.00 64.13 H new ATOM 0 HB3 ARG A 101 6.137 -1.686 10.795 1.00 64.13 H new ATOM 0 HG2 ARG A 101 4.162 -2.265 12.085 1.00 51.42 H new ATOM 0 HG3 ARG A 101 3.820 -2.541 10.388 1.00 51.42 H new ATOM 0 HD2 ARG A 101 4.109 -4.961 10.654 1.00 14.12 H new ATOM 0 HD3 ARG A 101 4.685 -4.761 12.297 1.00 14.12 H new ATOM 0 HE ARG A 101 2.086 -3.578 12.123 1.00 43.42 H new ATOM 0 HH11 ARG A 101 3.584 -6.811 11.993 1.00 61.30 H new ATOM 0 HH12 ARG A 101 2.137 -7.614 12.612 1.00 61.30 H new ATOM 0 HH21 ARG A 101 0.278 -4.646 12.944 1.00 23.33 H new ATOM 0 HH22 ARG A 101 0.288 -6.401 13.144 1.00 23.33 H new ATOM 661 N LEU A 102 6.457 -1.904 7.767 1.00 11.20 N ATOM 662 CA LEU A 102 6.020 -1.171 6.568 1.00 21.20 C ATOM 663 C LEU A 102 6.107 -2.096 5.341 1.00 62.41 C ATOM 664 O LEU A 102 5.156 -2.204 4.566 1.00 33.23 O ATOM 665 CB LEU A 102 6.895 0.111 6.392 1.00 51.35 C ATOM 666 CG LEU A 102 6.515 1.092 5.240 1.00 13.20 C ATOM 667 CD1 LEU A 102 5.040 1.518 5.307 1.00 63.52 C ATOM 668 CD2 LEU A 102 7.439 2.331 5.249 1.00 61.44 C ATOM 0 H LEU A 102 7.366 -1.597 8.115 1.00 11.20 H new ATOM 0 HA LEU A 102 4.982 -0.855 6.676 1.00 21.20 H new ATOM 0 HB2 LEU A 102 6.869 0.667 7.329 1.00 51.35 H new ATOM 0 HB3 LEU A 102 7.927 -0.205 6.238 1.00 51.35 H new ATOM 0 HG LEU A 102 6.656 0.556 4.301 1.00 13.20 H new ATOM 0 HD11 LEU A 102 4.821 2.201 4.486 1.00 63.52 H new ATOM 0 HD12 LEU A 102 4.403 0.637 5.227 1.00 63.52 H new ATOM 0 HD13 LEU A 102 4.849 2.019 6.256 1.00 63.52 H new ATOM 0 HD21 LEU A 102 7.156 3.002 4.438 1.00 61.44 H new ATOM 0 HD22 LEU A 102 7.340 2.852 6.201 1.00 61.44 H new ATOM 0 HD23 LEU A 102 8.473 2.015 5.114 1.00 61.44 H new ATOM 680 N LYS A 103 7.259 -2.785 5.207 1.00 41.21 N ATOM 681 CA LYS A 103 7.494 -3.771 4.132 1.00 44.14 C ATOM 682 C LYS A 103 6.588 -4.992 4.299 1.00 32.21 C ATOM 683 O LYS A 103 6.136 -5.552 3.308 1.00 21.41 O ATOM 684 CB LYS A 103 8.967 -4.222 4.102 1.00 35.53 C ATOM 685 CG LYS A 103 9.980 -3.076 3.928 1.00 32.31 C ATOM 686 CD LYS A 103 11.432 -3.572 3.830 1.00 64.43 C ATOM 687 CE LYS A 103 11.840 -4.452 5.021 1.00 75.00 C ATOM 688 NZ LYS A 103 13.228 -4.952 4.882 1.00 44.02 N ATOM 0 H LYS A 103 8.051 -2.674 5.840 1.00 41.21 H new ATOM 0 HA LYS A 103 7.257 -3.281 3.187 1.00 44.14 H new ATOM 0 HB2 LYS A 103 9.191 -4.751 5.028 1.00 35.53 H new ATOM 0 HB3 LYS A 103 9.100 -4.934 3.288 1.00 35.53 H new ATOM 0 HG2 LYS A 103 9.732 -2.512 3.029 1.00 32.31 H new ATOM 0 HG3 LYS A 103 9.892 -2.389 4.769 1.00 32.31 H new ATOM 0 HD2 LYS A 103 11.557 -4.137 2.906 1.00 64.43 H new ATOM 0 HD3 LYS A 103 12.102 -2.714 3.772 1.00 64.43 H new ATOM 0 HE2 LYS A 103 11.750 -3.880 5.944 1.00 75.00 H new ATOM 0 HE3 LYS A 103 11.155 -5.296 5.101 1.00 75.00 H new ATOM 0 HZ1 LYS A 103 13.468 -5.542 5.704 1.00 44.02 H new ATOM 0 HZ2 LYS A 103 13.307 -5.519 4.014 1.00 44.02 H new ATOM 0 HZ3 LYS A 103 13.884 -4.146 4.831 1.00 44.02 H new ATOM 702 N ARG A 104 6.338 -5.393 5.562 1.00 53.51 N ATOM 703 CA ARG A 104 5.379 -6.473 5.883 1.00 54.43 C ATOM 704 C ARG A 104 3.966 -6.080 5.419 1.00 73.53 C ATOM 705 O ARG A 104 3.210 -6.920 4.905 1.00 54.55 O ATOM 706 CB ARG A 104 5.375 -6.776 7.402 1.00 51.21 C ATOM 707 CG ARG A 104 4.298 -7.800 7.844 1.00 53.15 C ATOM 708 CD ARG A 104 4.345 -8.135 9.342 1.00 2.41 C ATOM 709 NE ARG A 104 3.132 -8.866 9.762 1.00 10.25 N ATOM 710 CZ ARG A 104 3.062 -9.873 10.651 1.00 11.54 C ATOM 711 NH1 ARG A 104 4.153 -10.333 11.255 1.00 22.14 N ATOM 712 NH2 ARG A 104 1.879 -10.385 10.953 1.00 2.15 N ATOM 0 H ARG A 104 6.789 -4.984 6.380 1.00 53.51 H new ATOM 0 HA ARG A 104 5.691 -7.375 5.356 1.00 54.43 H new ATOM 0 HB2 ARG A 104 6.357 -7.152 7.688 1.00 51.21 H new ATOM 0 HB3 ARG A 104 5.219 -5.845 7.946 1.00 51.21 H new ATOM 0 HG2 ARG A 104 3.312 -7.406 7.599 1.00 53.15 H new ATOM 0 HG3 ARG A 104 4.425 -8.718 7.271 1.00 53.15 H new ATOM 0 HD2 ARG A 104 5.228 -8.737 9.556 1.00 2.41 H new ATOM 0 HD3 ARG A 104 4.438 -7.216 9.921 1.00 2.41 H new ATOM 0 HE ARG A 104 2.254 -8.576 9.332 1.00 10.25 H new ATOM 0 HH11 ARG A 104 5.063 -9.922 11.047 1.00 22.14 H new ATOM 0 HH12 ARG A 104 4.080 -11.097 11.926 1.00 22.14 H new ATOM 0 HH21 ARG A 104 1.036 -10.016 10.513 1.00 2.15 H new ATOM 0 HH22 ARG A 104 1.811 -11.149 11.625 1.00 2.15 H new ATOM 726 N GLY A 105 3.646 -4.785 5.590 1.00 53.32 N ATOM 727 CA GLY A 105 2.397 -4.216 5.102 1.00 21.10 C ATOM 728 C GLY A 105 2.276 -4.332 3.593 1.00 73.24 C ATOM 729 O GLY A 105 1.210 -4.649 3.087 1.00 22.43 O ATOM 0 H GLY A 105 4.248 -4.115 6.068 1.00 53.32 H new ATOM 0 HA2 GLY A 105 1.557 -4.725 5.574 1.00 21.10 H new ATOM 0 HA3 GLY A 105 2.338 -3.167 5.392 1.00 21.10 H new ATOM 733 N ILE A 106 3.397 -4.087 2.886 1.00 11.42 N ATOM 734 CA ILE A 106 3.487 -4.254 1.422 1.00 41.12 C ATOM 735 C ILE A 106 3.314 -5.746 1.017 1.00 52.15 C ATOM 736 O ILE A 106 2.584 -6.047 0.076 1.00 70.14 O ATOM 737 CB ILE A 106 4.836 -3.621 0.837 1.00 74.33 C ATOM 738 CG1 ILE A 106 4.660 -2.097 0.503 1.00 31.13 C ATOM 739 CG2 ILE A 106 5.381 -4.379 -0.411 1.00 3.51 C ATOM 740 CD1 ILE A 106 4.345 -1.181 1.673 1.00 72.20 C ATOM 0 H ILE A 106 4.266 -3.768 3.314 1.00 11.42 H new ATOM 0 HA ILE A 106 2.663 -3.700 0.972 1.00 41.12 H new ATOM 0 HB ILE A 106 5.576 -3.730 1.630 1.00 74.33 H new ATOM 0 HG12 ILE A 106 5.576 -1.743 0.029 1.00 31.13 H new ATOM 0 HG13 ILE A 106 3.862 -1.998 -0.233 1.00 31.13 H new ATOM 0 HG21 ILE A 106 6.296 -3.899 -0.757 1.00 3.51 H new ATOM 0 HG22 ILE A 106 5.593 -5.414 -0.144 1.00 3.51 H new ATOM 0 HG23 ILE A 106 4.635 -4.355 -1.206 1.00 3.51 H new ATOM 0 HD11 ILE A 106 4.247 -0.156 1.316 1.00 72.20 H new ATOM 0 HD12 ILE A 106 3.411 -1.494 2.139 1.00 72.20 H new ATOM 0 HD13 ILE A 106 5.151 -1.235 2.405 1.00 72.20 H new ATOM 752 N ILE A 107 3.962 -6.666 1.749 1.00 3.43 N ATOM 753 CA ILE A 107 3.875 -8.126 1.491 1.00 74.35 C ATOM 754 C ILE A 107 2.406 -8.605 1.608 1.00 61.45 C ATOM 755 O ILE A 107 1.895 -9.332 0.739 1.00 21.33 O ATOM 756 CB ILE A 107 4.806 -8.927 2.487 1.00 11.45 C ATOM 757 CG1 ILE A 107 6.312 -8.564 2.256 1.00 3.31 C ATOM 758 CG2 ILE A 107 4.581 -10.460 2.385 1.00 20.42 C ATOM 759 CD1 ILE A 107 7.271 -9.120 3.297 1.00 41.02 C ATOM 0 H ILE A 107 4.563 -6.426 2.538 1.00 3.43 H new ATOM 0 HA ILE A 107 4.222 -8.319 0.476 1.00 74.35 H new ATOM 0 HB ILE A 107 4.533 -8.628 3.499 1.00 11.45 H new ATOM 0 HG12 ILE A 107 6.612 -8.930 1.274 1.00 3.31 H new ATOM 0 HG13 ILE A 107 6.410 -7.479 2.236 1.00 3.31 H new ATOM 0 HG21 ILE A 107 5.240 -10.972 3.086 1.00 20.42 H new ATOM 0 HG22 ILE A 107 3.544 -10.692 2.627 1.00 20.42 H new ATOM 0 HG23 ILE A 107 4.801 -10.793 1.371 1.00 20.42 H new ATOM 0 HD11 ILE A 107 8.289 -8.816 3.053 1.00 41.02 H new ATOM 0 HD12 ILE A 107 7.003 -8.735 4.281 1.00 41.02 H new ATOM 0 HD13 ILE A 107 7.209 -10.208 3.304 1.00 41.02 H new ATOM 771 N HIS A 108 1.742 -8.135 2.672 1.00 23.02 N ATOM 772 CA HIS A 108 0.348 -8.484 2.991 1.00 51.44 C ATOM 773 C HIS A 108 -0.632 -7.820 1.997 1.00 54.40 C ATOM 774 O HIS A 108 -1.552 -8.471 1.511 1.00 34.22 O ATOM 775 CB HIS A 108 0.021 -8.072 4.448 1.00 13.30 C ATOM 776 CG HIS A 108 -1.423 -8.261 4.845 1.00 74.04 C ATOM 777 ND1 HIS A 108 -2.140 -7.295 5.498 1.00 15.23 N ATOM 778 CD2 HIS A 108 -2.274 -9.301 4.677 1.00 11.24 C ATOM 779 CE1 HIS A 108 -3.357 -7.723 5.726 1.00 40.22 C ATOM 780 NE2 HIS A 108 -3.469 -8.938 5.235 1.00 45.34 N ATOM 0 H HIS A 108 2.161 -7.494 3.345 1.00 23.02 H new ATOM 0 HA HIS A 108 0.230 -9.564 2.897 1.00 51.44 H new ATOM 0 HB2 HIS A 108 0.649 -8.651 5.125 1.00 13.30 H new ATOM 0 HB3 HIS A 108 0.287 -7.024 4.584 1.00 13.30 H new ATOM 0 HD2 HIS A 108 -2.051 -10.241 4.193 1.00 11.24 H new ATOM 0 HE1 HIS A 108 -4.136 -7.172 6.231 1.00 40.22 H new ATOM 0 HE2 HIS A 108 -4.309 -9.515 5.265 1.00 45.34 H new ATOM 789 N ALA A 109 -0.415 -6.528 1.704 1.00 14.11 N ATOM 790 CA ALA A 109 -1.308 -5.739 0.820 1.00 34.22 C ATOM 791 C ALA A 109 -1.267 -6.272 -0.621 1.00 41.33 C ATOM 792 O ALA A 109 -2.295 -6.348 -1.295 1.00 11.43 O ATOM 793 CB ALA A 109 -0.927 -4.255 0.863 1.00 22.35 C ATOM 0 H ALA A 109 0.377 -5.998 2.067 1.00 14.11 H new ATOM 0 HA ALA A 109 -2.330 -5.843 1.185 1.00 34.22 H new ATOM 0 HB1 ALA A 109 -1.591 -3.690 0.209 1.00 22.35 H new ATOM 0 HB2 ALA A 109 -1.021 -3.885 1.884 1.00 22.35 H new ATOM 0 HB3 ALA A 109 0.103 -4.134 0.526 1.00 22.35 H new ATOM 799 N ARG A 110 -0.055 -6.668 -1.046 1.00 55.43 N ATOM 800 CA ARG A 110 0.206 -7.289 -2.363 1.00 42.12 C ATOM 801 C ARG A 110 -0.542 -8.631 -2.447 1.00 63.15 C ATOM 802 O ARG A 110 -1.119 -8.958 -3.484 1.00 30.01 O ATOM 803 CB ARG A 110 1.753 -7.447 -2.553 1.00 73.43 C ATOM 804 CG ARG A 110 2.278 -8.027 -3.899 1.00 62.41 C ATOM 805 CD ARG A 110 2.203 -9.562 -3.989 1.00 34.53 C ATOM 806 NE ARG A 110 2.680 -10.190 -2.742 1.00 51.11 N ATOM 807 CZ ARG A 110 2.285 -11.375 -2.259 1.00 43.14 C ATOM 808 NH1 ARG A 110 1.394 -12.121 -2.907 1.00 63.12 N ATOM 809 NH2 ARG A 110 2.749 -11.785 -1.091 1.00 62.52 N ATOM 0 H ARG A 110 0.786 -6.566 -0.478 1.00 55.43 H new ATOM 0 HA ARG A 110 -0.163 -6.661 -3.174 1.00 42.12 H new ATOM 0 HB2 ARG A 110 2.206 -6.465 -2.415 1.00 73.43 H new ATOM 0 HB3 ARG A 110 2.123 -8.085 -1.750 1.00 73.43 H new ATOM 0 HG2 ARG A 110 1.702 -7.596 -4.718 1.00 62.41 H new ATOM 0 HG3 ARG A 110 3.313 -7.715 -4.039 1.00 62.41 H new ATOM 0 HD2 ARG A 110 1.175 -9.868 -4.184 1.00 34.53 H new ATOM 0 HD3 ARG A 110 2.805 -9.910 -4.829 1.00 34.53 H new ATOM 0 HE ARG A 110 3.373 -9.675 -2.199 1.00 51.11 H new ATOM 0 HH11 ARG A 110 0.999 -11.793 -3.788 1.00 63.12 H new ATOM 0 HH12 ARG A 110 1.106 -13.021 -2.522 1.00 63.12 H new ATOM 0 HH21 ARG A 110 3.401 -11.201 -0.568 1.00 62.52 H new ATOM 0 HH22 ARG A 110 2.455 -12.686 -0.713 1.00 62.52 H new ATOM 823 N ALA A 111 -0.530 -9.392 -1.331 1.00 10.20 N ATOM 824 CA ALA A 111 -1.225 -10.691 -1.239 1.00 65.12 C ATOM 825 C ALA A 111 -2.742 -10.497 -1.372 1.00 73.44 C ATOM 826 O ALA A 111 -3.394 -11.236 -2.103 1.00 75.41 O ATOM 827 CB ALA A 111 -0.876 -11.400 0.079 1.00 4.44 C ATOM 0 H ALA A 111 -0.042 -9.125 -0.476 1.00 10.20 H new ATOM 0 HA ALA A 111 -0.888 -11.323 -2.061 1.00 65.12 H new ATOM 0 HB1 ALA A 111 -1.398 -12.356 0.128 1.00 4.44 H new ATOM 0 HB2 ALA A 111 0.199 -11.571 0.126 1.00 4.44 H new ATOM 0 HB3 ALA A 111 -1.181 -10.777 0.919 1.00 4.44 H new ATOM 833 N LEU A 112 -3.261 -9.446 -0.692 1.00 71.25 N ATOM 834 CA LEU A 112 -4.703 -9.103 -0.662 1.00 73.01 C ATOM 835 C LEU A 112 -5.234 -8.756 -2.056 1.00 43.44 C ATOM 836 O LEU A 112 -6.367 -9.120 -2.405 1.00 62.42 O ATOM 837 CB LEU A 112 -4.975 -7.920 0.305 1.00 60.53 C ATOM 838 CG LEU A 112 -4.765 -8.214 1.817 1.00 21.43 C ATOM 839 CD1 LEU A 112 -5.002 -6.944 2.662 1.00 4.52 C ATOM 840 CD2 LEU A 112 -5.660 -9.390 2.284 1.00 15.41 C ATOM 0 H LEU A 112 -2.685 -8.807 -0.144 1.00 71.25 H new ATOM 0 HA LEU A 112 -5.229 -9.988 -0.303 1.00 73.01 H new ATOM 0 HB2 LEU A 112 -4.327 -7.090 0.023 1.00 60.53 H new ATOM 0 HB3 LEU A 112 -6.002 -7.586 0.159 1.00 60.53 H new ATOM 0 HG LEU A 112 -3.728 -8.517 1.965 1.00 21.43 H new ATOM 0 HD11 LEU A 112 -4.849 -7.175 3.716 1.00 4.52 H new ATOM 0 HD12 LEU A 112 -4.302 -6.167 2.355 1.00 4.52 H new ATOM 0 HD13 LEU A 112 -6.023 -6.592 2.512 1.00 4.52 H new ATOM 0 HD21 LEU A 112 -5.494 -9.575 3.345 1.00 15.41 H new ATOM 0 HD22 LEU A 112 -6.708 -9.138 2.120 1.00 15.41 H new ATOM 0 HD23 LEU A 112 -5.409 -10.286 1.716 1.00 15.41 H new ATOM 852 N VAL A 113 -4.416 -8.040 -2.843 1.00 2.20 N ATOM 853 CA VAL A 113 -4.779 -7.695 -4.219 1.00 71.45 C ATOM 854 C VAL A 113 -4.793 -8.973 -5.079 1.00 12.31 C ATOM 855 O VAL A 113 -5.799 -9.274 -5.721 1.00 21.21 O ATOM 856 CB VAL A 113 -3.834 -6.619 -4.859 1.00 71.14 C ATOM 857 CG1 VAL A 113 -4.349 -6.221 -6.258 1.00 43.32 C ATOM 858 CG2 VAL A 113 -3.677 -5.374 -3.956 1.00 64.24 C ATOM 0 H VAL A 113 -3.504 -7.692 -2.548 1.00 2.20 H new ATOM 0 HA VAL A 113 -5.772 -7.247 -4.188 1.00 71.45 H new ATOM 0 HB VAL A 113 -2.845 -7.066 -4.960 1.00 71.14 H new ATOM 0 HG11 VAL A 113 -3.684 -5.474 -6.691 1.00 43.32 H new ATOM 0 HG12 VAL A 113 -4.374 -7.101 -6.901 1.00 43.32 H new ATOM 0 HG13 VAL A 113 -5.354 -5.807 -6.172 1.00 43.32 H new ATOM 0 HG21 VAL A 113 -3.014 -4.656 -4.439 1.00 64.24 H new ATOM 0 HG22 VAL A 113 -4.653 -4.916 -3.795 1.00 64.24 H new ATOM 0 HG23 VAL A 113 -3.253 -5.671 -2.997 1.00 64.24 H new ATOM 868 N ARG A 114 -3.682 -9.740 -5.005 1.00 33.42 N ATOM 869 CA ARG A 114 -3.447 -10.978 -5.802 1.00 74.24 C ATOM 870 C ARG A 114 -4.609 -11.990 -5.693 1.00 2.32 C ATOM 871 O ARG A 114 -5.150 -12.439 -6.715 1.00 51.32 O ATOM 872 CB ARG A 114 -2.094 -11.632 -5.346 1.00 51.53 C ATOM 873 CG ARG A 114 -1.826 -13.102 -5.833 1.00 43.34 C ATOM 874 CD ARG A 114 -2.237 -14.194 -4.812 1.00 41.31 C ATOM 875 NE ARG A 114 -2.091 -15.561 -5.350 1.00 15.34 N ATOM 876 CZ ARG A 114 -3.084 -16.314 -5.867 1.00 51.12 C ATOM 877 NH1 ARG A 114 -4.329 -15.846 -5.953 1.00 23.10 N ATOM 878 NH2 ARG A 114 -2.827 -17.544 -6.282 1.00 21.23 N ATOM 0 H ARG A 114 -2.907 -9.517 -4.381 1.00 33.42 H new ATOM 0 HA ARG A 114 -3.390 -10.695 -6.853 1.00 74.24 H new ATOM 0 HB2 ARG A 114 -1.276 -11.002 -5.696 1.00 51.53 H new ATOM 0 HB3 ARG A 114 -2.061 -11.622 -4.257 1.00 51.53 H new ATOM 0 HG2 ARG A 114 -2.367 -13.269 -6.764 1.00 43.34 H new ATOM 0 HG3 ARG A 114 -0.765 -13.211 -6.057 1.00 43.34 H new ATOM 0 HD2 ARG A 114 -1.627 -14.094 -3.914 1.00 41.31 H new ATOM 0 HD3 ARG A 114 -3.273 -14.034 -4.513 1.00 41.31 H new ATOM 0 HE ARG A 114 -1.158 -15.972 -5.329 1.00 15.34 H new ATOM 0 HH11 ARG A 114 -4.544 -14.904 -5.625 1.00 23.10 H new ATOM 0 HH12 ARG A 114 -5.067 -16.430 -6.347 1.00 23.10 H new ATOM 0 HH21 ARG A 114 -1.881 -17.919 -6.210 1.00 21.23 H new ATOM 0 HH22 ARG A 114 -3.575 -18.117 -6.673 1.00 21.23 H new ATOM 1319 N THR B 75 -5.561 -4.432 -10.642 1.00 74.53 N ATOM 1320 CA THR B 75 -4.230 -5.046 -10.862 1.00 21.04 C ATOM 1321 C THR B 75 -3.132 -3.956 -10.776 1.00 74.41 C ATOM 1322 O THR B 75 -1.965 -4.243 -10.495 1.00 53.22 O ATOM 1323 CB THR B 75 -4.164 -5.780 -12.244 1.00 14.44 C ATOM 1324 OG1 THR B 75 -5.384 -6.501 -12.471 1.00 3.23 O ATOM 1325 CG2 THR B 75 -2.978 -6.768 -12.330 1.00 5.12 C ATOM 0 HA THR B 75 -4.061 -5.790 -10.084 1.00 21.04 H new ATOM 0 HB THR B 75 -4.022 -5.013 -13.006 1.00 14.44 H new ATOM 0 HG1 THR B 75 -6.135 -6.004 -12.084 1.00 3.23 H new ATOM 0 HG21 THR B 75 -2.977 -7.251 -13.307 1.00 5.12 H new ATOM 0 HG22 THR B 75 -2.042 -6.226 -12.192 1.00 5.12 H new ATOM 0 HG23 THR B 75 -3.078 -7.525 -11.552 1.00 5.12 H new ATOM 1333 N ASP B 76 -3.543 -2.701 -11.041 1.00 23.30 N ATOM 1334 CA ASP B 76 -2.700 -1.509 -10.876 1.00 10.03 C ATOM 1335 C ASP B 76 -2.366 -1.293 -9.403 1.00 41.43 C ATOM 1336 O ASP B 76 -1.245 -0.918 -9.073 1.00 63.15 O ATOM 1337 CB ASP B 76 -3.397 -0.256 -11.461 1.00 1.31 C ATOM 1338 CG ASP B 76 -2.523 1.008 -11.373 1.00 63.41 C ATOM 1339 OD1 ASP B 76 -1.514 1.079 -12.110 1.00 23.33 O ATOM 1340 OD2 ASP B 76 -2.809 1.910 -10.556 1.00 74.42 O ATOM 0 H ASP B 76 -4.481 -2.488 -11.379 1.00 23.30 H new ATOM 0 HA ASP B 76 -1.772 -1.670 -11.424 1.00 10.03 H new ATOM 0 HB2 ASP B 76 -3.654 -0.442 -12.504 1.00 1.31 H new ATOM 0 HB3 ASP B 76 -4.332 -0.084 -10.928 1.00 1.31 H new ATOM 1345 N LEU B 77 -3.353 -1.571 -8.534 1.00 14.00 N ATOM 1346 CA LEU B 77 -3.194 -1.477 -7.075 1.00 63.54 C ATOM 1347 C LEU B 77 -2.086 -2.436 -6.598 1.00 63.21 C ATOM 1348 O LEU B 77 -1.274 -2.055 -5.764 1.00 12.32 O ATOM 1349 CB LEU B 77 -4.542 -1.768 -6.365 1.00 60.05 C ATOM 1350 CG LEU B 77 -4.534 -1.737 -4.804 1.00 53.25 C ATOM 1351 CD1 LEU B 77 -3.956 -0.423 -4.253 1.00 54.44 C ATOM 1352 CD2 LEU B 77 -5.948 -1.988 -4.247 1.00 44.34 C ATOM 0 H LEU B 77 -4.284 -1.868 -8.825 1.00 14.00 H new ATOM 0 HA LEU B 77 -2.894 -0.462 -6.814 1.00 63.54 H new ATOM 0 HB2 LEU B 77 -5.275 -1.042 -6.716 1.00 60.05 H new ATOM 0 HB3 LEU B 77 -4.889 -2.751 -6.684 1.00 60.05 H new ATOM 0 HG LEU B 77 -3.879 -2.541 -4.469 1.00 53.25 H new ATOM 0 HD11 LEU B 77 -3.971 -0.448 -3.163 1.00 54.44 H new ATOM 0 HD12 LEU B 77 -2.929 -0.304 -4.599 1.00 54.44 H new ATOM 0 HD13 LEU B 77 -4.557 0.415 -4.605 1.00 54.44 H new ATOM 0 HD21 LEU B 77 -5.920 -1.962 -3.158 1.00 44.34 H new ATOM 0 HD22 LEU B 77 -6.625 -1.215 -4.611 1.00 44.34 H new ATOM 0 HD23 LEU B 77 -6.301 -2.965 -4.578 1.00 44.34 H new ATOM 1364 N LEU B 78 -2.049 -3.648 -7.191 1.00 61.33 N ATOM 1365 CA LEU B 78 -0.985 -4.665 -6.960 1.00 4.24 C ATOM 1366 C LEU B 78 0.418 -4.064 -7.205 1.00 61.42 C ATOM 1367 O LEU B 78 1.374 -4.322 -6.448 1.00 42.34 O ATOM 1368 CB LEU B 78 -1.225 -5.867 -7.911 1.00 24.04 C ATOM 1369 CG LEU B 78 -0.293 -7.105 -7.756 1.00 43.24 C ATOM 1370 CD1 LEU B 78 -0.522 -7.827 -6.414 1.00 2.12 C ATOM 1371 CD2 LEU B 78 -0.462 -8.067 -8.958 1.00 70.13 C ATOM 0 H LEU B 78 -2.762 -3.957 -7.852 1.00 61.33 H new ATOM 0 HA LEU B 78 -1.028 -4.997 -5.923 1.00 4.24 H new ATOM 0 HB2 LEU B 78 -2.254 -6.202 -7.777 1.00 24.04 H new ATOM 0 HB3 LEU B 78 -1.138 -5.507 -8.936 1.00 24.04 H new ATOM 0 HG LEU B 78 0.738 -6.750 -7.750 1.00 43.24 H new ATOM 0 HD11 LEU B 78 0.147 -8.685 -6.344 1.00 2.12 H new ATOM 0 HD12 LEU B 78 -0.319 -7.140 -5.592 1.00 2.12 H new ATOM 0 HD13 LEU B 78 -1.556 -8.167 -6.356 1.00 2.12 H new ATOM 0 HD21 LEU B 78 0.197 -8.926 -8.832 1.00 70.13 H new ATOM 0 HD22 LEU B 78 -1.496 -8.408 -9.009 1.00 70.13 H new ATOM 0 HD23 LEU B 78 -0.206 -7.545 -9.880 1.00 70.13 H new ATOM 1383 N SER B 79 0.506 -3.248 -8.268 1.00 42.42 N ATOM 1384 CA SER B 79 1.737 -2.557 -8.658 1.00 12.51 C ATOM 1385 C SER B 79 2.049 -1.399 -7.699 1.00 0.10 C ATOM 1386 O SER B 79 3.201 -1.225 -7.316 1.00 55.15 O ATOM 1387 CB SER B 79 1.621 -2.047 -10.109 1.00 64.45 C ATOM 1388 OG SER B 79 1.358 -3.117 -11.007 1.00 50.13 O ATOM 0 H SER B 79 -0.284 -3.051 -8.883 1.00 42.42 H new ATOM 0 HA SER B 79 2.562 -3.267 -8.600 1.00 12.51 H new ATOM 0 HB2 SER B 79 0.823 -1.308 -10.175 1.00 64.45 H new ATOM 0 HB3 SER B 79 2.545 -1.545 -10.397 1.00 64.45 H new ATOM 0 HG SER B 79 1.287 -2.768 -11.920 1.00 50.13 H new ATOM 1394 N VAL B 80 1.005 -0.637 -7.289 1.00 63.22 N ATOM 1395 CA VAL B 80 1.153 0.535 -6.392 1.00 71.01 C ATOM 1396 C VAL B 80 1.729 0.105 -5.037 1.00 13.45 C ATOM 1397 O VAL B 80 2.539 0.831 -4.443 1.00 24.34 O ATOM 1398 CB VAL B 80 -0.217 1.289 -6.189 1.00 11.22 C ATOM 1399 CG1 VAL B 80 -0.101 2.452 -5.175 1.00 13.22 C ATOM 1400 CG2 VAL B 80 -0.762 1.802 -7.531 1.00 32.34 C ATOM 0 H VAL B 80 0.041 -0.817 -7.570 1.00 63.22 H new ATOM 0 HA VAL B 80 1.847 1.228 -6.868 1.00 71.01 H new ATOM 0 HB VAL B 80 -0.919 0.565 -5.776 1.00 11.22 H new ATOM 0 HG11 VAL B 80 -1.070 2.940 -5.069 1.00 13.22 H new ATOM 0 HG12 VAL B 80 0.216 2.061 -4.208 1.00 13.22 H new ATOM 0 HG13 VAL B 80 0.632 3.175 -5.533 1.00 13.22 H new ATOM 0 HG21 VAL B 80 -1.708 2.319 -7.366 1.00 32.34 H new ATOM 0 HG22 VAL B 80 -0.044 2.492 -7.975 1.00 32.34 H new ATOM 0 HG23 VAL B 80 -0.921 0.960 -8.205 1.00 32.34 H new ATOM 1410 N ILE B 81 1.303 -1.089 -4.570 1.00 20.21 N ATOM 1411 CA ILE B 81 1.859 -1.723 -3.369 1.00 2.24 C ATOM 1412 C ILE B 81 3.390 -1.854 -3.499 1.00 52.44 C ATOM 1413 O ILE B 81 4.129 -1.466 -2.591 1.00 32.21 O ATOM 1414 CB ILE B 81 1.233 -3.139 -3.076 1.00 61.31 C ATOM 1415 CG1 ILE B 81 -0.329 -3.105 -3.034 1.00 24.24 C ATOM 1416 CG2 ILE B 81 1.785 -3.707 -1.762 1.00 73.41 C ATOM 1417 CD1 ILE B 81 -0.945 -2.057 -2.115 1.00 22.14 C ATOM 0 H ILE B 81 0.566 -1.634 -5.018 1.00 20.21 H new ATOM 0 HA ILE B 81 1.605 -1.077 -2.529 1.00 2.24 H new ATOM 0 HB ILE B 81 1.520 -3.790 -3.902 1.00 61.31 H new ATOM 0 HG12 ILE B 81 -0.697 -2.935 -4.046 1.00 24.24 H new ATOM 0 HG13 ILE B 81 -0.687 -4.087 -2.725 1.00 24.24 H new ATOM 0 HG21 ILE B 81 1.343 -4.685 -1.574 1.00 73.41 H new ATOM 0 HG22 ILE B 81 2.868 -3.806 -1.835 1.00 73.41 H new ATOM 0 HG23 ILE B 81 1.537 -3.033 -0.942 1.00 73.41 H new ATOM 0 HD11 ILE B 81 -2.032 -2.123 -2.164 1.00 22.14 H new ATOM 0 HD12 ILE B 81 -0.617 -2.233 -1.091 1.00 22.14 H new ATOM 0 HD13 ILE B 81 -0.627 -1.064 -2.432 1.00 22.14 H new ATOM 1429 N GLU B 82 3.842 -2.369 -4.659 1.00 53.24 N ATOM 1430 CA GLU B 82 5.275 -2.550 -4.948 1.00 2.40 C ATOM 1431 C GLU B 82 5.992 -1.194 -5.113 1.00 34.04 C ATOM 1432 O GLU B 82 7.140 -1.065 -4.698 1.00 65.14 O ATOM 1433 CB GLU B 82 5.508 -3.428 -6.208 1.00 32.52 C ATOM 1434 CG GLU B 82 6.996 -3.758 -6.450 1.00 53.54 C ATOM 1435 CD GLU B 82 7.258 -4.652 -7.666 1.00 14.52 C ATOM 1436 OE1 GLU B 82 7.207 -5.893 -7.531 1.00 0.53 O ATOM 1437 OE2 GLU B 82 7.524 -4.120 -8.764 1.00 25.10 O ATOM 0 H GLU B 82 3.228 -2.669 -5.416 1.00 53.24 H new ATOM 0 HA GLU B 82 5.701 -3.069 -4.089 1.00 2.40 H new ATOM 0 HB2 GLU B 82 4.948 -4.358 -6.104 1.00 32.52 H new ATOM 0 HB3 GLU B 82 5.110 -2.912 -7.082 1.00 32.52 H new ATOM 0 HG2 GLU B 82 7.546 -2.825 -6.575 1.00 53.54 H new ATOM 0 HG3 GLU B 82 7.396 -4.248 -5.562 1.00 53.54 H new ATOM 1444 N GLU B 83 5.305 -0.189 -5.697 1.00 34.11 N ATOM 1445 CA GLU B 83 5.896 1.149 -5.934 1.00 54.44 C ATOM 1446 C GLU B 83 6.254 1.805 -4.594 1.00 61.03 C ATOM 1447 O GLU B 83 7.336 2.384 -4.441 1.00 42.45 O ATOM 1448 CB GLU B 83 4.941 2.075 -6.732 1.00 34.10 C ATOM 1449 CG GLU B 83 4.461 1.537 -8.087 1.00 0.33 C ATOM 1450 CD GLU B 83 5.594 1.044 -9.004 1.00 74.11 C ATOM 1451 OE1 GLU B 83 6.365 1.889 -9.519 1.00 21.13 O ATOM 1452 OE2 GLU B 83 5.707 -0.182 -9.237 1.00 75.12 O ATOM 0 H GLU B 83 4.340 -0.277 -6.014 1.00 34.11 H new ATOM 0 HA GLU B 83 6.796 1.009 -6.532 1.00 54.44 H new ATOM 0 HB2 GLU B 83 4.067 2.281 -6.115 1.00 34.10 H new ATOM 0 HB3 GLU B 83 5.445 3.027 -6.899 1.00 34.10 H new ATOM 0 HG2 GLU B 83 3.765 0.716 -7.914 1.00 0.33 H new ATOM 0 HG3 GLU B 83 3.907 2.322 -8.602 1.00 0.33 H new ATOM 1459 N MET B 84 5.322 1.684 -3.626 1.00 42.54 N ATOM 1460 CA MET B 84 5.551 2.092 -2.231 1.00 24.10 C ATOM 1461 C MET B 84 6.662 1.223 -1.622 1.00 11.52 C ATOM 1462 O MET B 84 7.554 1.733 -0.947 1.00 63.35 O ATOM 1463 CB MET B 84 4.243 1.970 -1.398 1.00 11.32 C ATOM 1464 CG MET B 84 3.092 2.849 -1.903 1.00 42.43 C ATOM 1465 SD MET B 84 1.592 2.740 -0.901 1.00 14.22 S ATOM 1466 CE MET B 84 1.191 0.993 -0.943 1.00 10.11 C ATOM 0 H MET B 84 4.392 1.301 -3.793 1.00 42.54 H new ATOM 0 HA MET B 84 5.861 3.137 -2.213 1.00 24.10 H new ATOM 0 HB2 MET B 84 3.919 0.929 -1.401 1.00 11.32 H new ATOM 0 HB3 MET B 84 4.459 2.233 -0.363 1.00 11.32 H new ATOM 0 HG2 MET B 84 3.425 3.887 -1.929 1.00 42.43 H new ATOM 0 HG3 MET B 84 2.854 2.565 -2.928 1.00 42.43 H new ATOM 0 HE1 MET B 84 0.330 0.802 -0.303 1.00 10.11 H new ATOM 0 HE2 MET B 84 0.956 0.698 -1.966 1.00 10.11 H new ATOM 0 HE3 MET B 84 2.044 0.415 -0.586 1.00 10.11 H new ATOM 1476 N GLY B 85 6.626 -0.084 -1.955 1.00 11.32 N ATOM 1477 CA GLY B 85 7.613 -1.060 -1.489 1.00 40.42 C ATOM 1478 C GLY B 85 9.043 -0.775 -1.947 1.00 35.31 C ATOM 1479 O GLY B 85 9.984 -1.278 -1.344 1.00 42.42 O ATOM 0 H GLY B 85 5.907 -0.486 -2.556 1.00 11.32 H new ATOM 0 HA2 GLY B 85 7.592 -1.089 -0.400 1.00 40.42 H new ATOM 0 HA3 GLY B 85 7.322 -2.050 -1.840 1.00 40.42 H new ATOM 1483 N LYS B 86 9.192 0.045 -3.002 1.00 23.35 N ATOM 1484 CA LYS B 86 10.506 0.500 -3.507 1.00 51.13 C ATOM 1485 C LYS B 86 11.007 1.684 -2.668 1.00 13.44 C ATOM 1486 O LYS B 86 12.197 1.772 -2.340 1.00 21.03 O ATOM 1487 CB LYS B 86 10.391 0.933 -4.993 1.00 0.23 C ATOM 1488 CG LYS B 86 9.881 -0.167 -5.941 1.00 73.52 C ATOM 1489 CD LYS B 86 9.636 0.341 -7.383 1.00 1.22 C ATOM 1490 CE LYS B 86 8.881 -0.681 -8.247 1.00 52.25 C ATOM 1491 NZ LYS B 86 9.568 -1.992 -8.335 1.00 54.15 N ATOM 0 H LYS B 86 8.403 0.414 -3.533 1.00 23.35 H new ATOM 0 HA LYS B 86 11.213 -0.326 -3.430 1.00 51.13 H new ATOM 0 HB2 LYS B 86 9.721 1.790 -5.058 1.00 0.23 H new ATOM 0 HB3 LYS B 86 11.370 1.267 -5.338 1.00 0.23 H new ATOM 0 HG2 LYS B 86 10.606 -0.981 -5.967 1.00 73.52 H new ATOM 0 HG3 LYS B 86 8.953 -0.579 -5.544 1.00 73.52 H new ATOM 0 HD2 LYS B 86 9.068 1.270 -7.346 1.00 1.22 H new ATOM 0 HD3 LYS B 86 10.593 0.571 -7.851 1.00 1.22 H new ATOM 0 HE2 LYS B 86 7.883 -0.828 -7.835 1.00 52.25 H new ATOM 0 HE3 LYS B 86 8.755 -0.276 -9.251 1.00 52.25 H new ATOM 0 HZ1 LYS B 86 8.919 -2.698 -8.737 1.00 54.15 H new ATOM 0 HZ2 LYS B 86 10.406 -1.905 -8.945 1.00 54.15 H new ATOM 0 HZ3 LYS B 86 9.862 -2.294 -7.384 1.00 54.15 H new ATOM 1505 N GLU B 87 10.066 2.570 -2.293 1.00 30.12 N ATOM 1506 CA GLU B 87 10.376 3.852 -1.629 1.00 31.11 C ATOM 1507 C GLU B 87 10.757 3.689 -0.161 1.00 45.11 C ATOM 1508 O GLU B 87 11.340 4.602 0.405 1.00 33.41 O ATOM 1509 CB GLU B 87 9.180 4.830 -1.742 1.00 3.31 C ATOM 1510 CG GLU B 87 8.695 5.083 -3.176 1.00 64.11 C ATOM 1511 CD GLU B 87 9.832 5.445 -4.147 1.00 4.31 C ATOM 1512 OE1 GLU B 87 10.336 6.583 -4.082 1.00 14.44 O ATOM 1513 OE2 GLU B 87 10.232 4.590 -4.976 1.00 73.25 O ATOM 0 H GLU B 87 9.068 2.418 -2.441 1.00 30.12 H new ATOM 0 HA GLU B 87 11.243 4.259 -2.150 1.00 31.11 H new ATOM 0 HB2 GLU B 87 8.350 4.437 -1.156 1.00 3.31 H new ATOM 0 HB3 GLU B 87 9.463 5.783 -1.295 1.00 3.31 H new ATOM 0 HG2 GLU B 87 8.184 4.193 -3.542 1.00 64.11 H new ATOM 0 HG3 GLU B 87 7.963 5.890 -3.168 1.00 64.11 H new ATOM 1520 N ILE B 88 10.483 2.513 0.427 1.00 72.13 N ATOM 1521 CA ILE B 88 10.687 2.261 1.867 1.00 61.21 C ATOM 1522 C ILE B 88 12.177 2.373 2.251 1.00 3.44 C ATOM 1523 O ILE B 88 12.499 2.911 3.312 1.00 32.34 O ATOM 1524 CB ILE B 88 10.120 0.852 2.287 1.00 41.24 C ATOM 1525 CG1 ILE B 88 8.602 0.756 1.927 1.00 54.21 C ATOM 1526 CG2 ILE B 88 10.357 0.565 3.794 1.00 1.21 C ATOM 1527 CD1 ILE B 88 7.974 -0.601 2.160 1.00 52.05 C ATOM 0 H ILE B 88 10.114 1.709 -0.081 1.00 72.13 H new ATOM 0 HA ILE B 88 10.135 3.029 2.410 1.00 61.21 H new ATOM 0 HB ILE B 88 10.661 0.088 1.728 1.00 41.24 H new ATOM 0 HG12 ILE B 88 8.058 1.497 2.512 1.00 54.21 H new ATOM 0 HG13 ILE B 88 8.475 1.023 0.878 1.00 54.21 H new ATOM 0 HG21 ILE B 88 9.952 -0.415 4.046 1.00 1.21 H new ATOM 0 HG22 ILE B 88 11.427 0.581 4.004 1.00 1.21 H new ATOM 0 HG23 ILE B 88 9.859 1.328 4.392 1.00 1.21 H new ATOM 0 HD11 ILE B 88 6.921 -0.567 1.881 1.00 52.05 H new ATOM 0 HD12 ILE B 88 8.486 -1.348 1.553 1.00 52.05 H new ATOM 0 HD13 ILE B 88 8.062 -0.867 3.213 1.00 52.05 H new ATOM 1539 N ARG B 89 13.068 1.887 1.370 1.00 71.24 N ATOM 1540 CA ARG B 89 14.522 1.899 1.628 1.00 31.13 C ATOM 1541 C ARG B 89 15.099 3.349 1.619 1.00 72.42 C ATOM 1542 O ARG B 89 15.693 3.748 2.629 1.00 22.22 O ATOM 1543 CB ARG B 89 15.308 0.952 0.664 1.00 3.34 C ATOM 1544 CG ARG B 89 16.839 0.963 0.901 1.00 64.15 C ATOM 1545 CD ARG B 89 17.628 0.041 -0.046 1.00 60.31 C ATOM 1546 NE ARG B 89 19.085 0.209 0.149 1.00 25.25 N ATOM 1547 CZ ARG B 89 20.046 -0.593 -0.341 1.00 54.31 C ATOM 1548 NH1 ARG B 89 19.739 -1.650 -1.092 1.00 62.03 N ATOM 1549 NH2 ARG B 89 21.320 -0.299 -0.108 1.00 34.41 N ATOM 0 H ARG B 89 12.808 1.480 0.471 1.00 71.24 H new ATOM 0 HA ARG B 89 14.663 1.502 2.633 1.00 31.13 H new ATOM 0 HB2 ARG B 89 14.937 -0.066 0.784 1.00 3.34 H new ATOM 0 HB3 ARG B 89 15.105 1.245 -0.366 1.00 3.34 H new ATOM 0 HG2 ARG B 89 17.206 1.983 0.787 1.00 64.15 H new ATOM 0 HG3 ARG B 89 17.039 0.665 1.930 1.00 64.15 H new ATOM 0 HD2 ARG B 89 17.350 -0.997 0.135 1.00 60.31 H new ATOM 0 HD3 ARG B 89 17.367 0.265 -1.080 1.00 60.31 H new ATOM 0 HE ARG B 89 19.388 1.007 0.707 1.00 25.25 H new ATOM 0 HH11 ARG B 89 18.763 -1.860 -1.302 1.00 62.03 H new ATOM 0 HH12 ARG B 89 20.480 -2.249 -1.457 1.00 62.03 H new ATOM 0 HH21 ARG B 89 21.561 0.528 0.438 1.00 34.41 H new ATOM 0 HH22 ARG B 89 22.058 -0.900 -0.475 1.00 34.41 H new ATOM 1563 N PRO B 90 14.945 4.185 0.523 1.00 0.25 N ATOM 1564 CA PRO B 90 15.411 5.598 0.553 1.00 33.12 C ATOM 1565 C PRO B 90 14.675 6.483 1.607 1.00 15.41 C ATOM 1566 O PRO B 90 15.274 7.418 2.137 1.00 75.43 O ATOM 1567 CB PRO B 90 15.209 6.097 -0.898 1.00 40.32 C ATOM 1568 CG PRO B 90 14.249 5.135 -1.540 1.00 42.43 C ATOM 1569 CD PRO B 90 14.412 3.823 -0.826 1.00 11.11 C ATOM 0 HA PRO B 90 16.451 5.666 0.874 1.00 33.12 H new ATOM 0 HB2 PRO B 90 14.810 7.111 -0.909 1.00 40.32 H new ATOM 0 HB3 PRO B 90 16.156 6.121 -1.437 1.00 40.32 H new ATOM 0 HG2 PRO B 90 13.224 5.497 -1.456 1.00 42.43 H new ATOM 0 HG3 PRO B 90 14.463 5.026 -2.603 1.00 42.43 H new ATOM 0 HD2 PRO B 90 13.462 3.295 -0.747 1.00 11.11 H new ATOM 0 HD3 PRO B 90 15.099 3.165 -1.359 1.00 11.11 H new ATOM 1577 N THR B 91 13.403 6.157 1.918 1.00 72.32 N ATOM 1578 CA THR B 91 12.657 6.796 3.043 1.00 24.43 C ATOM 1579 C THR B 91 13.357 6.520 4.388 1.00 70.41 C ATOM 1580 O THR B 91 13.592 7.431 5.189 1.00 63.52 O ATOM 1581 CB THR B 91 11.186 6.281 3.114 1.00 41.25 C ATOM 1582 OG1 THR B 91 10.483 6.699 1.935 1.00 33.44 O ATOM 1583 CG2 THR B 91 10.421 6.766 4.369 1.00 12.24 C ATOM 0 H THR B 91 12.864 5.456 1.411 1.00 72.32 H new ATOM 0 HA THR B 91 12.645 7.869 2.854 1.00 24.43 H new ATOM 0 HB THR B 91 11.234 5.194 3.179 1.00 41.25 H new ATOM 0 HG1 THR B 91 10.652 6.062 1.210 1.00 33.44 H new ATOM 0 HG21 THR B 91 9.406 6.370 4.352 1.00 12.24 H new ATOM 0 HG22 THR B 91 10.933 6.415 5.265 1.00 12.24 H new ATOM 0 HG23 THR B 91 10.385 7.855 4.375 1.00 12.24 H new ATOM 1591 N TYR B 92 13.699 5.241 4.600 1.00 45.22 N ATOM 1592 CA TYR B 92 14.429 4.782 5.789 1.00 51.53 C ATOM 1593 C TYR B 92 15.871 5.331 5.800 1.00 52.21 C ATOM 1594 O TYR B 92 16.497 5.421 6.855 1.00 20.23 O ATOM 1595 CB TYR B 92 14.423 3.228 5.856 1.00 5.03 C ATOM 1596 CG TYR B 92 15.121 2.676 7.103 1.00 24.34 C ATOM 1597 CD1 TYR B 92 14.609 2.937 8.363 1.00 22.14 C ATOM 1598 CD2 TYR B 92 16.318 1.962 7.027 1.00 21.14 C ATOM 1599 CE1 TYR B 92 15.249 2.499 9.491 1.00 71.20 C ATOM 1600 CE2 TYR B 92 16.969 1.533 8.160 1.00 4.53 C ATOM 1601 CZ TYR B 92 16.434 1.803 9.390 1.00 21.31 C ATOM 1602 OH TYR B 92 17.100 1.413 10.527 1.00 72.13 O ATOM 0 H TYR B 92 13.475 4.491 3.946 1.00 45.22 H new ATOM 0 HA TYR B 92 13.923 5.168 6.674 1.00 51.53 H new ATOM 0 HB2 TYR B 92 13.392 2.874 5.837 1.00 5.03 H new ATOM 0 HB3 TYR B 92 14.913 2.830 4.967 1.00 5.03 H new ATOM 0 HD1 TYR B 92 13.689 3.495 8.457 1.00 22.14 H new ATOM 0 HD2 TYR B 92 16.742 1.742 6.058 1.00 21.14 H new ATOM 0 HE1 TYR B 92 14.824 2.700 10.463 1.00 71.20 H new ATOM 0 HE2 TYR B 92 17.897 0.986 8.079 1.00 4.53 H new ATOM 0 HH TYR B 92 16.825 1.980 11.278 1.00 72.13 H new ATOM 1612 N ALA B 93 16.381 5.711 4.612 1.00 34.14 N ATOM 1613 CA ALA B 93 17.705 6.355 4.458 1.00 31.55 C ATOM 1614 C ALA B 93 17.649 7.865 4.781 1.00 73.11 C ATOM 1615 O ALA B 93 18.674 8.552 4.725 1.00 33.10 O ATOM 1616 CB ALA B 93 18.232 6.122 3.036 1.00 72.03 C ATOM 0 H ALA B 93 15.887 5.581 3.729 1.00 34.14 H new ATOM 0 HA ALA B 93 18.390 5.900 5.174 1.00 31.55 H new ATOM 0 HB1 ALA B 93 19.207 6.598 2.927 1.00 72.03 H new ATOM 0 HB2 ALA B 93 18.328 5.052 2.854 1.00 72.03 H new ATOM 0 HB3 ALA B 93 17.536 6.551 2.315 1.00 72.03 H new ATOM 1622 N GLY B 94 16.441 8.355 5.128 1.00 33.21 N ATOM 1623 CA GLY B 94 16.211 9.753 5.496 1.00 24.51 C ATOM 1624 C GLY B 94 15.975 10.687 4.323 1.00 73.12 C ATOM 1625 O GLY B 94 15.950 11.909 4.510 1.00 30.22 O ATOM 0 H GLY B 94 15.598 7.782 5.159 1.00 33.21 H new ATOM 0 HA2 GLY B 94 15.349 9.802 6.161 1.00 24.51 H new ATOM 0 HA3 GLY B 94 17.071 10.112 6.061 1.00 24.51 H new ATOM 1629 N SER B 95 15.846 10.135 3.109 1.00 45.44 N ATOM 1630 CA SER B 95 15.521 10.918 1.908 1.00 41.34 C ATOM 1631 C SER B 95 14.029 11.314 1.894 1.00 42.51 C ATOM 1632 O SER B 95 13.150 10.457 1.686 1.00 43.33 O ATOM 1633 CB SER B 95 15.881 10.101 0.650 1.00 25.31 C ATOM 1634 OG SER B 95 17.243 9.685 0.685 1.00 30.33 O ATOM 0 H SER B 95 15.963 9.137 2.932 1.00 45.44 H new ATOM 0 HA SER B 95 16.106 11.838 1.917 1.00 41.34 H new ATOM 0 HB2 SER B 95 15.232 9.228 0.581 1.00 25.31 H new ATOM 0 HB3 SER B 95 15.703 10.702 -0.242 1.00 25.31 H new ATOM 0 HG SER B 95 17.448 9.167 -0.122 1.00 30.33 H new ATOM 1640 N LYS B 96 13.768 12.616 2.158 1.00 53.02 N ATOM 1641 CA LYS B 96 12.420 13.230 2.132 1.00 35.24 C ATOM 1642 C LYS B 96 11.718 13.045 0.781 1.00 52.21 C ATOM 1643 O LYS B 96 10.496 12.901 0.742 1.00 5.33 O ATOM 1644 CB LYS B 96 12.514 14.749 2.479 1.00 34.20 C ATOM 1645 CG LYS B 96 11.181 15.526 2.360 1.00 21.32 C ATOM 1646 CD LYS B 96 11.303 17.025 2.709 1.00 75.23 C ATOM 1647 CE LYS B 96 10.036 17.813 2.337 1.00 22.22 C ATOM 1648 NZ LYS B 96 8.792 17.212 2.906 1.00 30.44 N ATOM 0 H LYS B 96 14.503 13.281 2.400 1.00 53.02 H new ATOM 0 HA LYS B 96 11.820 12.717 2.883 1.00 35.24 H new ATOM 0 HB2 LYS B 96 12.889 14.852 3.497 1.00 34.20 H new ATOM 0 HB3 LYS B 96 13.249 15.213 1.821 1.00 34.20 H new ATOM 0 HG2 LYS B 96 10.804 15.429 1.342 1.00 21.32 H new ATOM 0 HG3 LYS B 96 10.443 15.068 3.019 1.00 21.32 H new ATOM 0 HD2 LYS B 96 11.496 17.133 3.776 1.00 75.23 H new ATOM 0 HD3 LYS B 96 12.160 17.450 2.186 1.00 75.23 H new ATOM 0 HE2 LYS B 96 10.134 18.839 2.693 1.00 22.22 H new ATOM 0 HE3 LYS B 96 9.948 17.859 1.252 1.00 22.22 H new ATOM 0 HZ1 LYS B 96 8.140 17.970 3.193 1.00 30.44 H new ATOM 0 HZ2 LYS B 96 8.335 16.615 2.187 1.00 30.44 H new ATOM 0 HZ3 LYS B 96 9.034 16.632 3.735 1.00 30.44 H new ATOM 1662 N SER B 97 12.497 13.030 -0.311 1.00 14.25 N ATOM 1663 CA SER B 97 11.967 12.937 -1.678 1.00 74.22 C ATOM 1664 C SER B 97 11.202 11.611 -1.885 1.00 4.15 C ATOM 1665 O SER B 97 10.050 11.608 -2.351 1.00 31.10 O ATOM 1666 CB SER B 97 13.116 13.070 -2.699 1.00 43.23 C ATOM 1667 OG SER B 97 13.788 14.312 -2.563 1.00 24.24 O ATOM 0 H SER B 97 13.515 13.082 -0.270 1.00 14.25 H new ATOM 0 HA SER B 97 11.263 13.755 -1.833 1.00 74.22 H new ATOM 0 HB2 SER B 97 13.825 12.254 -2.560 1.00 43.23 H new ATOM 0 HB3 SER B 97 12.719 12.978 -3.710 1.00 43.23 H new ATOM 0 HG SER B 97 14.512 14.366 -3.222 1.00 24.24 H new ATOM 1673 N ALA B 98 11.842 10.497 -1.501 1.00 72.34 N ATOM 1674 CA ALA B 98 11.249 9.148 -1.608 1.00 63.41 C ATOM 1675 C ALA B 98 10.136 8.942 -0.574 1.00 3.52 C ATOM 1676 O ALA B 98 9.190 8.216 -0.837 1.00 2.10 O ATOM 1677 CB ALA B 98 12.327 8.090 -1.445 1.00 41.05 C ATOM 0 H ALA B 98 12.783 10.501 -1.108 1.00 72.34 H new ATOM 0 HA ALA B 98 10.803 9.053 -2.598 1.00 63.41 H new ATOM 0 HB1 ALA B 98 11.880 7.099 -1.525 1.00 41.05 H new ATOM 0 HB2 ALA B 98 13.079 8.213 -2.225 1.00 41.05 H new ATOM 0 HB3 ALA B 98 12.797 8.197 -0.468 1.00 41.05 H new ATOM 1683 N MET B 99 10.288 9.576 0.603 1.00 43.43 N ATOM 1684 CA MET B 99 9.264 9.581 1.675 1.00 44.02 C ATOM 1685 C MET B 99 7.986 10.285 1.200 1.00 74.12 C ATOM 1686 O MET B 99 6.868 9.866 1.525 1.00 62.21 O ATOM 1687 CB MET B 99 9.861 10.262 2.937 1.00 73.32 C ATOM 1688 CG MET B 99 8.937 10.347 4.173 1.00 51.02 C ATOM 1689 SD MET B 99 7.758 11.715 4.120 1.00 63.24 S ATOM 1690 CE MET B 99 8.848 13.137 4.054 1.00 13.43 C ATOM 0 H MET B 99 11.128 10.103 0.843 1.00 43.43 H new ATOM 0 HA MET B 99 8.987 8.557 1.927 1.00 44.02 H new ATOM 0 HB2 MET B 99 10.764 9.722 3.222 1.00 73.32 H new ATOM 0 HB3 MET B 99 10.166 11.273 2.668 1.00 73.32 H new ATOM 0 HG2 MET B 99 8.387 9.411 4.267 1.00 51.02 H new ATOM 0 HG3 MET B 99 9.552 10.446 5.067 1.00 51.02 H new ATOM 0 HE1 MET B 99 8.476 13.912 4.724 1.00 13.43 H new ATOM 0 HE2 MET B 99 9.851 12.841 4.362 1.00 13.43 H new ATOM 0 HE3 MET B 99 8.881 13.523 3.035 1.00 13.43 H new ATOM 1700 N GLU B 100 8.181 11.331 0.396 1.00 35.43 N ATOM 1701 CA GLU B 100 7.109 12.135 -0.188 1.00 2.41 C ATOM 1702 C GLU B 100 6.338 11.297 -1.230 1.00 61.02 C ATOM 1703 O GLU B 100 5.101 11.319 -1.280 1.00 45.43 O ATOM 1704 CB GLU B 100 7.726 13.415 -0.829 1.00 74.32 C ATOM 1705 CG GLU B 100 6.765 14.604 -0.968 1.00 52.43 C ATOM 1706 CD GLU B 100 6.242 15.112 0.385 1.00 65.51 C ATOM 1707 OE1 GLU B 100 7.059 15.512 1.255 1.00 73.03 O ATOM 1708 OE2 GLU B 100 5.011 15.079 0.610 1.00 41.12 O ATOM 0 H GLU B 100 9.112 11.650 0.127 1.00 35.43 H new ATOM 0 HA GLU B 100 6.402 12.440 0.583 1.00 2.41 H new ATOM 0 HB2 GLU B 100 8.580 13.727 -0.228 1.00 74.32 H new ATOM 0 HB3 GLU B 100 8.108 13.159 -1.817 1.00 74.32 H new ATOM 0 HG2 GLU B 100 7.274 15.418 -1.484 1.00 52.43 H new ATOM 0 HG3 GLU B 100 5.920 14.311 -1.591 1.00 52.43 H new ATOM 1715 N ARG B 101 7.106 10.526 -2.018 1.00 50.10 N ATOM 1716 CA ARG B 101 6.578 9.617 -3.050 1.00 73.04 C ATOM 1717 C ARG B 101 5.867 8.409 -2.393 1.00 30.13 C ATOM 1718 O ARG B 101 4.856 7.912 -2.905 1.00 23.32 O ATOM 1719 CB ARG B 101 7.745 9.151 -3.965 1.00 42.44 C ATOM 1720 CG ARG B 101 7.354 8.167 -5.096 1.00 63.53 C ATOM 1721 CD ARG B 101 6.390 8.765 -6.140 1.00 14.32 C ATOM 1722 NE ARG B 101 5.970 7.764 -7.143 1.00 0.22 N ATOM 1723 CZ ARG B 101 4.991 7.933 -8.058 1.00 61.44 C ATOM 1724 NH1 ARG B 101 4.296 9.071 -8.119 1.00 12.51 N ATOM 1725 NH2 ARG B 101 4.690 6.940 -8.879 1.00 2.01 N ATOM 0 H ARG B 101 8.124 10.516 -1.956 1.00 50.10 H new ATOM 0 HA ARG B 101 5.841 10.142 -3.658 1.00 73.04 H new ATOM 0 HB2 ARG B 101 8.204 10.031 -4.416 1.00 42.44 H new ATOM 0 HB3 ARG B 101 8.505 8.678 -3.343 1.00 42.44 H new ATOM 0 HG2 ARG B 101 8.260 7.832 -5.602 1.00 63.53 H new ATOM 0 HG3 ARG B 101 6.892 7.285 -4.653 1.00 63.53 H new ATOM 0 HD2 ARG B 101 5.510 9.163 -5.635 1.00 14.32 H new ATOM 0 HD3 ARG B 101 6.874 9.602 -6.644 1.00 14.32 H new ATOM 0 HE ARG B 101 6.461 6.870 -7.144 1.00 0.22 H new ATOM 0 HH11 ARG B 101 4.501 9.829 -7.468 1.00 12.51 H new ATOM 0 HH12 ARG B 101 3.560 9.182 -8.816 1.00 12.51 H new ATOM 0 HH21 ARG B 101 5.196 6.056 -8.818 1.00 2.01 H new ATOM 0 HH22 ARG B 101 3.952 7.058 -9.573 1.00 2.01 H new ATOM 1739 N LEU B 102 6.408 7.975 -1.244 1.00 2.22 N ATOM 1740 CA LEU B 102 5.897 6.835 -0.465 1.00 31.14 C ATOM 1741 C LEU B 102 4.466 7.136 0.035 1.00 3.21 C ATOM 1742 O LEU B 102 3.548 6.343 -0.188 1.00 71.33 O ATOM 1743 CB LEU B 102 6.877 6.528 0.712 1.00 53.31 C ATOM 1744 CG LEU B 102 6.557 5.293 1.614 1.00 62.42 C ATOM 1745 CD1 LEU B 102 6.301 4.020 0.802 1.00 34.55 C ATOM 1746 CD2 LEU B 102 7.678 5.054 2.643 1.00 62.22 C ATOM 0 H LEU B 102 7.227 8.414 -0.823 1.00 2.22 H new ATOM 0 HA LEU B 102 5.841 5.947 -1.095 1.00 31.14 H new ATOM 0 HB2 LEU B 102 7.873 6.389 0.292 1.00 53.31 H new ATOM 0 HB3 LEU B 102 6.921 7.409 1.352 1.00 53.31 H new ATOM 0 HG LEU B 102 5.634 5.529 2.144 1.00 62.42 H new ATOM 0 HD11 LEU B 102 6.084 3.194 1.479 1.00 34.55 H new ATOM 0 HD12 LEU B 102 5.452 4.177 0.137 1.00 34.55 H new ATOM 0 HD13 LEU B 102 7.185 3.782 0.211 1.00 34.55 H new ATOM 0 HD21 LEU B 102 7.429 4.189 3.257 1.00 62.22 H new ATOM 0 HD22 LEU B 102 8.618 4.871 2.122 1.00 62.22 H new ATOM 0 HD23 LEU B 102 7.781 5.933 3.279 1.00 62.22 H new ATOM 1758 N LYS B 103 4.293 8.323 0.658 1.00 71.25 N ATOM 1759 CA LYS B 103 2.981 8.804 1.158 1.00 43.22 C ATOM 1760 C LYS B 103 1.972 8.980 0.018 1.00 34.24 C ATOM 1761 O LYS B 103 0.824 8.557 0.142 1.00 0.42 O ATOM 1762 CB LYS B 103 3.139 10.144 1.906 1.00 51.22 C ATOM 1763 CG LYS B 103 4.014 10.085 3.177 1.00 44.54 C ATOM 1764 CD LYS B 103 4.273 11.484 3.772 1.00 13.24 C ATOM 1765 CE LYS B 103 4.962 12.421 2.767 1.00 10.33 C ATOM 1766 NZ LYS B 103 5.271 13.754 3.339 1.00 22.54 N ATOM 0 H LYS B 103 5.058 8.976 0.829 1.00 71.25 H new ATOM 0 HA LYS B 103 2.604 8.045 1.844 1.00 43.22 H new ATOM 0 HB2 LYS B 103 3.568 10.876 1.222 1.00 51.22 H new ATOM 0 HB3 LYS B 103 2.149 10.507 2.182 1.00 51.22 H new ATOM 0 HG2 LYS B 103 3.525 9.459 3.924 1.00 44.54 H new ATOM 0 HG3 LYS B 103 4.966 9.612 2.939 1.00 44.54 H new ATOM 0 HD2 LYS B 103 3.327 11.924 4.088 1.00 13.24 H new ATOM 0 HD3 LYS B 103 4.894 11.389 4.663 1.00 13.24 H new ATOM 0 HE2 LYS B 103 5.885 11.957 2.420 1.00 10.33 H new ATOM 0 HE3 LYS B 103 4.320 12.545 1.895 1.00 10.33 H new ATOM 0 HZ1 LYS B 103 5.080 14.489 2.629 1.00 22.54 H new ATOM 0 HZ2 LYS B 103 4.677 13.919 4.177 1.00 22.54 H new ATOM 0 HZ3 LYS B 103 6.274 13.790 3.613 1.00 22.54 H new ATOM 1780 N ARG B 104 2.431 9.592 -1.093 1.00 1.34 N ATOM 1781 CA ARG B 104 1.588 9.841 -2.288 1.00 52.15 C ATOM 1782 C ARG B 104 1.004 8.519 -2.832 1.00 43.12 C ATOM 1783 O ARG B 104 -0.142 8.479 -3.314 1.00 14.45 O ATOM 1784 CB ARG B 104 2.414 10.566 -3.385 1.00 24.33 C ATOM 1785 CG ARG B 104 1.609 10.904 -4.657 1.00 74.11 C ATOM 1786 CD ARG B 104 2.408 11.702 -5.707 1.00 2.04 C ATOM 1787 NE ARG B 104 1.614 11.906 -6.937 1.00 25.43 N ATOM 1788 CZ ARG B 104 1.960 12.667 -7.995 1.00 33.25 C ATOM 1789 NH1 ARG B 104 3.107 13.337 -8.017 1.00 62.11 N ATOM 1790 NH2 ARG B 104 1.158 12.720 -9.050 1.00 65.05 N ATOM 0 H ARG B 104 3.390 9.927 -1.190 1.00 1.34 H new ATOM 0 HA ARG B 104 0.756 10.483 -1.996 1.00 52.15 H new ATOM 0 HB2 ARG B 104 2.821 11.488 -2.969 1.00 24.33 H new ATOM 0 HB3 ARG B 104 3.262 9.939 -3.660 1.00 24.33 H new ATOM 0 HG2 ARG B 104 1.257 9.977 -5.110 1.00 74.11 H new ATOM 0 HG3 ARG B 104 0.725 11.476 -4.375 1.00 74.11 H new ATOM 0 HD2 ARG B 104 2.696 12.668 -5.292 1.00 2.04 H new ATOM 0 HD3 ARG B 104 3.329 11.171 -5.949 1.00 2.04 H new ATOM 0 HE ARG B 104 0.717 11.424 -6.991 1.00 25.43 H new ATOM 0 HH11 ARG B 104 3.745 13.281 -7.223 1.00 62.11 H new ATOM 0 HH12 ARG B 104 3.349 13.907 -8.828 1.00 62.11 H new ATOM 0 HH21 ARG B 104 0.288 12.188 -9.056 1.00 65.05 H new ATOM 0 HH22 ARG B 104 1.411 13.293 -9.855 1.00 65.05 H new ATOM 1804 N GLY B 105 1.797 7.442 -2.678 1.00 20.45 N ATOM 1805 CA GLY B 105 1.388 6.102 -3.063 1.00 52.44 C ATOM 1806 C GLY B 105 0.192 5.594 -2.284 1.00 61.10 C ATOM 1807 O GLY B 105 -0.649 4.913 -2.847 1.00 73.33 O ATOM 0 H GLY B 105 2.736 7.489 -2.282 1.00 20.45 H new ATOM 0 HA2 GLY B 105 1.150 6.094 -4.127 1.00 52.44 H new ATOM 0 HA3 GLY B 105 2.225 5.418 -2.918 1.00 52.44 H new ATOM 1811 N ILE B 106 0.123 5.946 -0.988 1.00 71.32 N ATOM 1812 CA ILE B 106 -1.021 5.602 -0.121 1.00 60.11 C ATOM 1813 C ILE B 106 -2.296 6.340 -0.570 1.00 14.54 C ATOM 1814 O ILE B 106 -3.369 5.748 -0.588 1.00 12.53 O ATOM 1815 CB ILE B 106 -0.710 5.867 1.416 1.00 4.54 C ATOM 1816 CG1 ILE B 106 0.155 4.706 2.014 1.00 1.45 C ATOM 1817 CG2 ILE B 106 -1.988 6.106 2.284 1.00 12.31 C ATOM 1818 CD1 ILE B 106 1.622 4.712 1.635 1.00 13.40 C ATOM 0 H ILE B 106 0.854 6.475 -0.513 1.00 71.32 H new ATOM 0 HA ILE B 106 -1.195 4.531 -0.228 1.00 60.11 H new ATOM 0 HB ILE B 106 -0.142 6.797 1.452 1.00 4.54 H new ATOM 0 HG12 ILE B 106 0.080 4.746 3.101 1.00 1.45 H new ATOM 0 HG13 ILE B 106 -0.278 3.757 1.699 1.00 1.45 H new ATOM 0 HG21 ILE B 106 -1.697 6.280 3.320 1.00 12.31 H new ATOM 0 HG22 ILE B 106 -2.526 6.976 1.908 1.00 12.31 H new ATOM 0 HG23 ILE B 106 -2.633 5.229 2.230 1.00 12.31 H new ATOM 0 HD11 ILE B 106 2.123 3.865 2.105 1.00 13.40 H new ATOM 0 HD12 ILE B 106 1.718 4.636 0.552 1.00 13.40 H new ATOM 0 HD13 ILE B 106 2.082 5.640 1.976 1.00 13.40 H new ATOM 1830 N ILE B 107 -2.165 7.617 -0.949 1.00 33.43 N ATOM 1831 CA ILE B 107 -3.307 8.431 -1.425 1.00 51.02 C ATOM 1832 C ILE B 107 -3.900 7.804 -2.712 1.00 2.55 C ATOM 1833 O ILE B 107 -5.131 7.714 -2.861 1.00 53.21 O ATOM 1834 CB ILE B 107 -2.886 9.950 -1.646 1.00 55.31 C ATOM 1835 CG1 ILE B 107 -2.763 10.727 -0.289 1.00 21.22 C ATOM 1836 CG2 ILE B 107 -3.857 10.698 -2.591 1.00 23.32 C ATOM 1837 CD1 ILE B 107 -1.778 10.160 0.719 1.00 41.22 C ATOM 0 H ILE B 107 -1.277 8.118 -0.938 1.00 33.43 H new ATOM 0 HA ILE B 107 -4.081 8.431 -0.657 1.00 51.02 H new ATOM 0 HB ILE B 107 -1.905 9.921 -2.120 1.00 55.31 H new ATOM 0 HG12 ILE B 107 -2.476 11.756 -0.507 1.00 21.22 H new ATOM 0 HG13 ILE B 107 -3.748 10.763 0.176 1.00 21.22 H new ATOM 0 HG21 ILE B 107 -3.527 11.730 -2.710 1.00 23.32 H new ATOM 0 HG22 ILE B 107 -3.869 10.207 -3.564 1.00 23.32 H new ATOM 0 HG23 ILE B 107 -4.861 10.685 -2.166 1.00 23.32 H new ATOM 0 HD11 ILE B 107 -1.779 10.779 1.616 1.00 41.22 H new ATOM 0 HD12 ILE B 107 -2.069 9.143 0.980 1.00 41.22 H new ATOM 0 HD13 ILE B 107 -0.778 10.151 0.285 1.00 41.22 H new ATOM 1849 N HIS B 108 -3.009 7.323 -3.595 1.00 12.23 N ATOM 1850 CA HIS B 108 -3.398 6.668 -4.857 1.00 2.11 C ATOM 1851 C HIS B 108 -3.991 5.270 -4.584 1.00 52.33 C ATOM 1852 O HIS B 108 -5.040 4.921 -5.121 1.00 3.14 O ATOM 1853 CB HIS B 108 -2.182 6.581 -5.815 1.00 71.32 C ATOM 1854 CG HIS B 108 -2.479 5.965 -7.166 1.00 22.35 C ATOM 1855 ND1 HIS B 108 -1.581 5.170 -7.842 1.00 43.15 N ATOM 1856 CD2 HIS B 108 -3.572 6.048 -7.967 1.00 13.35 C ATOM 1857 CE1 HIS B 108 -2.102 4.791 -8.991 1.00 74.42 C ATOM 1858 NE2 HIS B 108 -3.309 5.309 -9.090 1.00 2.21 N ATOM 0 H HIS B 108 -2.000 7.377 -3.455 1.00 12.23 H new ATOM 0 HA HIS B 108 -4.169 7.269 -5.339 1.00 2.11 H new ATOM 0 HB2 HIS B 108 -1.786 7.585 -5.969 1.00 71.32 H new ATOM 0 HB3 HIS B 108 -1.397 5.999 -5.331 1.00 71.32 H new ATOM 0 HD2 HIS B 108 -4.480 6.595 -7.758 1.00 13.35 H new ATOM 0 HE1 HIS B 108 -1.621 4.163 -9.726 1.00 74.42 H new ATOM 0 HE2 HIS B 108 -3.946 5.180 -9.877 1.00 2.21 H new ATOM 1867 N ALA B 109 -3.319 4.501 -3.713 1.00 21.15 N ATOM 1868 CA ALA B 109 -3.682 3.098 -3.408 1.00 60.23 C ATOM 1869 C ALA B 109 -5.054 3.007 -2.718 1.00 30.52 C ATOM 1870 O ALA B 109 -5.893 2.170 -3.069 1.00 70.33 O ATOM 1871 CB ALA B 109 -2.599 2.461 -2.532 1.00 22.40 C ATOM 0 H ALA B 109 -2.504 4.831 -3.196 1.00 21.15 H new ATOM 0 HA ALA B 109 -3.752 2.552 -4.349 1.00 60.23 H new ATOM 0 HB1 ALA B 109 -2.871 1.429 -2.310 1.00 22.40 H new ATOM 0 HB2 ALA B 109 -1.646 2.480 -3.060 1.00 22.40 H new ATOM 0 HB3 ALA B 109 -2.509 3.020 -1.601 1.00 22.40 H new ATOM 1877 N ARG B 110 -5.256 3.924 -1.759 1.00 72.54 N ATOM 1878 CA ARG B 110 -6.506 4.070 -0.985 1.00 14.05 C ATOM 1879 C ARG B 110 -7.653 4.444 -1.928 1.00 42.44 C ATOM 1880 O ARG B 110 -8.779 3.975 -1.761 1.00 61.11 O ATOM 1881 CB ARG B 110 -6.295 5.149 0.132 1.00 33.13 C ATOM 1882 CG ARG B 110 -7.506 5.476 1.050 1.00 65.31 C ATOM 1883 CD ARG B 110 -8.453 6.554 0.485 1.00 63.11 C ATOM 1884 NE ARG B 110 -7.768 7.848 0.264 1.00 70.01 N ATOM 1885 CZ ARG B 110 -8.198 8.836 -0.555 1.00 75.05 C ATOM 1886 NH1 ARG B 110 -9.326 8.689 -1.264 1.00 13.32 N ATOM 1887 NH2 ARG B 110 -7.499 9.969 -0.641 1.00 53.45 N ATOM 0 H ARG B 110 -4.541 4.601 -1.492 1.00 72.54 H new ATOM 0 HA ARG B 110 -6.768 3.128 -0.503 1.00 14.05 H new ATOM 0 HB2 ARG B 110 -5.471 4.821 0.766 1.00 33.13 H new ATOM 0 HB3 ARG B 110 -5.978 6.074 -0.349 1.00 33.13 H new ATOM 0 HG2 ARG B 110 -8.075 4.562 1.222 1.00 65.31 H new ATOM 0 HG3 ARG B 110 -7.134 5.807 2.020 1.00 65.31 H new ATOM 0 HD2 ARG B 110 -8.876 6.205 -0.457 1.00 63.11 H new ATOM 0 HD3 ARG B 110 -9.285 6.700 1.174 1.00 63.11 H new ATOM 0 HE ARG B 110 -6.898 8.008 0.772 1.00 70.01 H new ATOM 0 HH11 ARG B 110 -9.867 7.828 -1.189 1.00 13.32 H new ATOM 0 HH12 ARG B 110 -9.643 9.438 -1.879 1.00 13.32 H new ATOM 0 HH21 ARG B 110 -6.647 10.086 -0.092 1.00 53.45 H new ATOM 0 HH22 ARG B 110 -7.816 10.718 -1.256 1.00 53.45 H new ATOM 1901 N ALA B 111 -7.340 5.301 -2.917 1.00 54.04 N ATOM 1902 CA ALA B 111 -8.315 5.770 -3.911 1.00 12.51 C ATOM 1903 C ALA B 111 -8.779 4.616 -4.808 1.00 24.22 C ATOM 1904 O ALA B 111 -9.962 4.522 -5.129 1.00 62.44 O ATOM 1905 CB ALA B 111 -7.715 6.896 -4.753 1.00 63.01 C ATOM 0 H ALA B 111 -6.404 5.686 -3.047 1.00 54.04 H new ATOM 0 HA ALA B 111 -9.185 6.157 -3.381 1.00 12.51 H new ATOM 0 HB1 ALA B 111 -8.449 7.233 -5.485 1.00 63.01 H new ATOM 0 HB2 ALA B 111 -7.440 7.728 -4.105 1.00 63.01 H new ATOM 0 HB3 ALA B 111 -6.828 6.530 -5.270 1.00 63.01 H new ATOM 1911 N LEU B 112 -7.823 3.734 -5.175 1.00 42.11 N ATOM 1912 CA LEU B 112 -8.073 2.560 -6.039 1.00 20.32 C ATOM 1913 C LEU B 112 -8.998 1.549 -5.346 1.00 41.10 C ATOM 1914 O LEU B 112 -9.865 0.949 -5.991 1.00 51.41 O ATOM 1915 CB LEU B 112 -6.734 1.889 -6.451 1.00 72.34 C ATOM 1916 CG LEU B 112 -5.797 2.761 -7.343 1.00 2.11 C ATOM 1917 CD1 LEU B 112 -4.418 2.098 -7.519 1.00 11.44 C ATOM 1918 CD2 LEU B 112 -6.456 3.079 -8.711 1.00 3.43 C ATOM 0 H LEU B 112 -6.851 3.818 -4.878 1.00 42.11 H new ATOM 0 HA LEU B 112 -8.575 2.908 -6.942 1.00 20.32 H new ATOM 0 HB2 LEU B 112 -6.192 1.612 -5.547 1.00 72.34 H new ATOM 0 HB3 LEU B 112 -6.959 0.965 -6.984 1.00 72.34 H new ATOM 0 HG LEU B 112 -5.640 3.710 -6.830 1.00 2.11 H new ATOM 0 HD11 LEU B 112 -3.788 2.730 -8.145 1.00 11.44 H new ATOM 0 HD12 LEU B 112 -3.948 1.970 -6.544 1.00 11.44 H new ATOM 0 HD13 LEU B 112 -4.540 1.124 -7.993 1.00 11.44 H new ATOM 0 HD21 LEU B 112 -5.778 3.688 -9.309 1.00 3.43 H new ATOM 0 HD22 LEU B 112 -6.668 2.149 -9.238 1.00 3.43 H new ATOM 0 HD23 LEU B 112 -7.386 3.624 -8.549 1.00 3.43 H new ATOM 1930 N VAL B 113 -8.814 1.376 -4.024 1.00 32.10 N ATOM 1931 CA VAL B 113 -9.705 0.527 -3.215 1.00 43.34 C ATOM 1932 C VAL B 113 -11.110 1.157 -3.150 1.00 54.52 C ATOM 1933 O VAL B 113 -12.105 0.501 -3.478 1.00 14.42 O ATOM 1934 CB VAL B 113 -9.169 0.289 -1.759 1.00 34.21 C ATOM 1935 CG1 VAL B 113 -10.085 -0.694 -0.992 1.00 42.44 C ATOM 1936 CG2 VAL B 113 -7.699 -0.191 -1.748 1.00 24.23 C ATOM 0 H VAL B 113 -8.058 1.812 -3.496 1.00 32.10 H new ATOM 0 HA VAL B 113 -9.746 -0.446 -3.706 1.00 43.34 H new ATOM 0 HB VAL B 113 -9.190 1.250 -1.245 1.00 34.21 H new ATOM 0 HG11 VAL B 113 -9.695 -0.845 0.015 1.00 42.44 H new ATOM 0 HG12 VAL B 113 -11.092 -0.282 -0.933 1.00 42.44 H new ATOM 0 HG13 VAL B 113 -10.114 -1.649 -1.517 1.00 42.44 H new ATOM 0 HG21 VAL B 113 -7.373 -0.342 -0.719 1.00 24.23 H new ATOM 0 HG22 VAL B 113 -7.619 -1.130 -2.295 1.00 24.23 H new ATOM 0 HG23 VAL B 113 -7.067 0.560 -2.222 1.00 24.23 H new ATOM 1946 N ARG B 114 -11.140 2.458 -2.778 1.00 5.11 N ATOM 1947 CA ARG B 114 -12.373 3.263 -2.578 1.00 1.35 C ATOM 1948 C ARG B 114 -13.310 3.194 -3.797 1.00 71.02 C ATOM 1949 O ARG B 114 -14.501 2.888 -3.657 1.00 73.05 O ATOM 1950 CB ARG B 114 -11.965 4.746 -2.241 1.00 61.24 C ATOM 1951 CG ARG B 114 -13.099 5.825 -2.320 1.00 65.43 C ATOM 1952 CD ARG B 114 -13.155 6.565 -3.679 1.00 10.24 C ATOM 1953 NE ARG B 114 -14.331 7.439 -3.818 1.00 22.42 N ATOM 1954 CZ ARG B 114 -14.513 8.342 -4.804 1.00 11.41 C ATOM 1955 NH1 ARG B 114 -13.596 8.514 -5.754 1.00 22.45 N ATOM 1956 NH2 ARG B 114 -15.629 9.046 -4.852 1.00 32.54 N ATOM 0 H ARG B 114 -10.289 2.992 -2.604 1.00 5.11 H new ATOM 0 HA ARG B 114 -12.936 2.846 -1.743 1.00 1.35 H new ATOM 0 HB2 ARG B 114 -11.549 4.764 -1.234 1.00 61.24 H new ATOM 0 HB3 ARG B 114 -11.166 5.042 -2.921 1.00 61.24 H new ATOM 0 HG2 ARG B 114 -14.060 5.344 -2.137 1.00 65.43 H new ATOM 0 HG3 ARG B 114 -12.951 6.555 -1.524 1.00 65.43 H new ATOM 0 HD2 ARG B 114 -12.251 7.162 -3.797 1.00 10.24 H new ATOM 0 HD3 ARG B 114 -13.159 5.831 -4.485 1.00 10.24 H new ATOM 0 HE ARG B 114 -15.065 7.356 -3.115 1.00 22.42 H new ATOM 0 HH11 ARG B 114 -12.740 7.959 -5.743 1.00 22.45 H new ATOM 0 HH12 ARG B 114 -13.749 9.201 -6.492 1.00 22.45 H new ATOM 0 HH21 ARG B 114 -16.351 8.907 -4.145 1.00 32.54 H new ATOM 0 HH22 ARG B 114 -15.769 9.729 -5.596 1.00 32.54 H new ATOM 1970 N GLU B 115 -12.754 3.484 -4.978 1.00 52.23 N ATOM 1971 CA GLU B 115 -13.523 3.542 -6.232 1.00 1.22 C ATOM 1972 C GLU B 115 -14.006 2.150 -6.666 1.00 43.54 C ATOM 1973 O GLU B 115 -15.143 1.997 -7.135 1.00 60.11 O ATOM 1974 CB GLU B 115 -12.680 4.217 -7.347 1.00 53.22 C ATOM 1975 CG GLU B 115 -11.393 3.461 -7.731 1.00 54.31 C ATOM 1976 CD GLU B 115 -10.535 4.201 -8.760 1.00 52.44 C ATOM 1977 OE1 GLU B 115 -10.790 4.053 -9.975 1.00 63.31 O ATOM 1978 OE2 GLU B 115 -9.621 4.962 -8.365 1.00 14.25 O ATOM 0 H GLU B 115 -11.761 3.685 -5.095 1.00 52.23 H new ATOM 0 HA GLU B 115 -14.412 4.147 -6.055 1.00 1.22 H new ATOM 0 HB2 GLU B 115 -13.300 4.325 -8.237 1.00 53.22 H new ATOM 0 HB3 GLU B 115 -12.411 5.222 -7.022 1.00 53.22 H new ATOM 0 HG2 GLU B 115 -10.801 3.288 -6.832 1.00 54.31 H new ATOM 0 HG3 GLU B 115 -11.661 2.482 -8.129 1.00 54.31 H new ATOM 1985 N CYS B 116 -13.154 1.125 -6.475 1.00 42.35 N ATOM 1986 CA CYS B 116 -13.473 -0.245 -6.910 1.00 51.32 C ATOM 1987 C CYS B 116 -14.489 -0.917 -5.970 1.00 24.41 C ATOM 1988 O CYS B 116 -15.157 -1.843 -6.399 1.00 22.03 O ATOM 1989 CB CYS B 116 -12.201 -1.100 -7.077 1.00 3.32 C ATOM 1990 SG CYS B 116 -11.066 -0.517 -8.356 1.00 60.00 S ATOM 0 H CYS B 116 -12.244 1.220 -6.024 1.00 42.35 H new ATOM 0 HA CYS B 116 -13.942 -0.170 -7.891 1.00 51.32 H new ATOM 0 HB2 CYS B 116 -11.671 -1.129 -6.125 1.00 3.32 H new ATOM 0 HB3 CYS B 116 -12.495 -2.124 -7.310 1.00 3.32 H new ATOM 0 HG CYS B 116 -10.202 0.300 -7.830 1.00 60.00 H new ATOM 1996 N LEU B 117 -14.620 -0.426 -4.705 1.00 40.45 N ATOM 1997 CA LEU B 117 -15.663 -0.898 -3.742 1.00 24.13 C ATOM 1998 C LEU B 117 -17.065 -0.845 -4.384 1.00 11.44 C ATOM 1999 O LEU B 117 -17.878 -1.764 -4.207 1.00 64.23 O ATOM 2000 CB LEU B 117 -15.648 -0.041 -2.434 1.00 3.14 C ATOM 2001 CG LEU B 117 -14.473 -0.299 -1.431 1.00 22.12 C ATOM 2002 CD1 LEU B 117 -14.416 0.805 -0.346 1.00 52.34 C ATOM 2003 CD2 LEU B 117 -14.590 -1.704 -0.790 1.00 53.23 C ATOM 0 H LEU B 117 -14.013 0.301 -4.325 1.00 40.45 H new ATOM 0 HA LEU B 117 -15.431 -1.931 -3.485 1.00 24.13 H new ATOM 0 HB2 LEU B 117 -15.627 1.011 -2.718 1.00 3.14 H new ATOM 0 HB3 LEU B 117 -16.587 -0.210 -1.907 1.00 3.14 H new ATOM 0 HG LEU B 117 -13.539 -0.264 -1.992 1.00 22.12 H new ATOM 0 HD11 LEU B 117 -13.591 0.602 0.337 1.00 52.34 H new ATOM 0 HD12 LEU B 117 -14.263 1.774 -0.821 1.00 52.34 H new ATOM 0 HD13 LEU B 117 -15.353 0.817 0.210 1.00 52.34 H new ATOM 0 HD21 LEU B 117 -13.762 -1.858 -0.098 1.00 53.23 H new ATOM 0 HD22 LEU B 117 -15.534 -1.780 -0.250 1.00 53.23 H new ATOM 0 HD23 LEU B 117 -14.556 -2.464 -1.571 1.00 53.23 H new