USER MOD reduce.3.24.130724 H: found=0, std=0, add=696, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 698 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 84 MET CE :methyl -178:sc= -1.19 (180deg=-1.29) USER MOD Set 1.2: B 84 MET CE :methyl -172:sc= -0.862 (180deg=-1.1) USER MOD Single : A 75 THR OG1 : rot 26:sc= 0.106 USER MOD Single : A 79 SER OG : rot 75:sc= 0.668 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 90:sc= 0.766 USER MOD Single : A 92 TYR OH : rot 180:sc= -0.0651 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0508) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl 139:sc= -0.173 (180deg=-1.18) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 HIS : no HD1:sc=-0.000694 X(o=-0.00069,f=-0.011) USER MOD Single : B 75 THR OG1 : rot 34:sc= 0.256 USER MOD Single : B 79 SER OG : rot 70:sc= 0.33 USER MOD Single : B 86 LYS NZ :NH3+ -141:sc= 0.362 (180deg=0.181) USER MOD Single : B 91 THR OG1 : rot 91:sc= 0.925 USER MOD Single : B 92 TYR OH : rot -42:sc= -0.194 USER MOD Single : B 95 SER OG : rot 93:sc= 0.0236 USER MOD Single : B 96 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0326) USER MOD Single : B 97 SER OG : rot 180:sc= 0 USER MOD Single : B 99 MET CE :methyl 149:sc= -0.0313 (180deg=-0.574) USER MOD Single : B 103 LYS NZ :NH3+ -147:sc= 0.158 (180deg=-0.125) USER MOD Single : B 108 HIS : no HD1:sc= -0.741 K(o=-0.74,f=-2.2!) USER MOD Single : B 116 CYS SG : rot 81:sc= 1 USER MOD ----------------------------------------------------------------- ATOM 241 N THR A 75 -11.738 -4.450 2.416 1.00 24.42 N ATOM 242 CA THR A 75 -11.868 -3.313 3.347 1.00 23.42 C ATOM 243 C THR A 75 -10.707 -3.352 4.358 1.00 32.31 C ATOM 244 O THR A 75 -10.246 -2.311 4.854 1.00 44.54 O ATOM 245 CB THR A 75 -13.251 -3.361 4.068 1.00 52.14 C ATOM 246 OG1 THR A 75 -14.292 -3.349 3.074 1.00 54.40 O ATOM 247 CG2 THR A 75 -13.465 -2.184 5.042 1.00 53.42 C ATOM 0 HA THR A 75 -11.818 -2.375 2.794 1.00 23.42 H new ATOM 0 HB THR A 75 -13.279 -4.275 4.662 1.00 52.14 H new ATOM 0 HG1 THR A 75 -13.947 -3.720 2.235 1.00 54.40 H new ATOM 0 HG21 THR A 75 -14.444 -2.274 5.512 1.00 53.42 H new ATOM 0 HG22 THR A 75 -12.691 -2.202 5.810 1.00 53.42 H new ATOM 0 HG23 THR A 75 -13.411 -1.244 4.494 1.00 53.42 H new ATOM 255 N ASP A 76 -10.240 -4.582 4.633 1.00 23.44 N ATOM 256 CA ASP A 76 -8.985 -4.828 5.347 1.00 70.53 C ATOM 257 C ASP A 76 -7.812 -4.185 4.593 1.00 13.44 C ATOM 258 O ASP A 76 -6.992 -3.507 5.206 1.00 12.14 O ATOM 259 CB ASP A 76 -8.746 -6.349 5.516 1.00 22.21 C ATOM 260 CG ASP A 76 -7.361 -6.683 6.088 1.00 20.15 C ATOM 261 OD1 ASP A 76 -7.169 -6.536 7.307 1.00 25.00 O ATOM 262 OD2 ASP A 76 -6.465 -7.086 5.321 1.00 75.53 O ATOM 0 H ASP A 76 -10.729 -5.435 4.363 1.00 23.44 H new ATOM 0 HA ASP A 76 -9.055 -4.378 6.337 1.00 70.53 H new ATOM 0 HB2 ASP A 76 -9.512 -6.760 6.173 1.00 22.21 H new ATOM 0 HB3 ASP A 76 -8.860 -6.838 4.549 1.00 22.21 H new ATOM 267 N LEU A 77 -7.776 -4.397 3.257 1.00 61.05 N ATOM 268 CA LEU A 77 -6.772 -3.792 2.359 1.00 21.35 C ATOM 269 C LEU A 77 -6.762 -2.255 2.483 1.00 44.25 C ATOM 270 O LEU A 77 -5.693 -1.656 2.606 1.00 71.14 O ATOM 271 CB LEU A 77 -7.045 -4.223 0.891 1.00 44.44 C ATOM 272 CG LEU A 77 -6.129 -3.596 -0.212 1.00 63.12 C ATOM 273 CD1 LEU A 77 -4.640 -3.861 0.048 1.00 42.34 C ATOM 274 CD2 LEU A 77 -6.530 -4.099 -1.604 1.00 1.32 C ATOM 0 H LEU A 77 -8.446 -4.995 2.773 1.00 61.05 H new ATOM 0 HA LEU A 77 -5.787 -4.151 2.656 1.00 21.35 H new ATOM 0 HB2 LEU A 77 -6.952 -5.308 0.833 1.00 44.44 H new ATOM 0 HB3 LEU A 77 -8.080 -3.978 0.652 1.00 44.44 H new ATOM 0 HG LEU A 77 -6.277 -2.517 -0.172 1.00 63.12 H new ATOM 0 HD11 LEU A 77 -4.046 -3.406 -0.744 1.00 42.34 H new ATOM 0 HD12 LEU A 77 -4.356 -3.430 1.008 1.00 42.34 H new ATOM 0 HD13 LEU A 77 -4.459 -4.936 0.066 1.00 42.34 H new ATOM 0 HD21 LEU A 77 -5.880 -3.650 -2.355 1.00 1.32 H new ATOM 0 HD22 LEU A 77 -6.432 -5.184 -1.641 1.00 1.32 H new ATOM 0 HD23 LEU A 77 -7.564 -3.821 -1.807 1.00 1.32 H new ATOM 286 N LEU A 78 -7.965 -1.653 2.490 1.00 35.41 N ATOM 287 CA LEU A 78 -8.148 -0.194 2.639 1.00 60.41 C ATOM 288 C LEU A 78 -7.575 0.294 3.989 1.00 71.22 C ATOM 289 O LEU A 78 -6.960 1.367 4.076 1.00 33.42 O ATOM 290 CB LEU A 78 -9.653 0.149 2.546 1.00 63.35 C ATOM 291 CG LEU A 78 -10.019 1.662 2.528 1.00 61.40 C ATOM 292 CD1 LEU A 78 -9.458 2.378 1.288 1.00 41.14 C ATOM 293 CD2 LEU A 78 -11.536 1.858 2.634 1.00 73.04 C ATOM 0 H LEU A 78 -8.842 -2.165 2.392 1.00 35.41 H new ATOM 0 HA LEU A 78 -7.610 0.312 1.838 1.00 60.41 H new ATOM 0 HB2 LEU A 78 -10.053 -0.310 1.642 1.00 63.35 H new ATOM 0 HB3 LEU A 78 -10.162 -0.315 3.391 1.00 63.35 H new ATOM 0 HG LEU A 78 -9.551 2.117 3.401 1.00 61.40 H new ATOM 0 HD11 LEU A 78 -9.738 3.431 1.318 1.00 41.14 H new ATOM 0 HD12 LEU A 78 -8.371 2.292 1.278 1.00 41.14 H new ATOM 0 HD13 LEU A 78 -9.866 1.920 0.387 1.00 41.14 H new ATOM 0 HD21 LEU A 78 -11.767 2.923 2.619 1.00 73.04 H new ATOM 0 HD22 LEU A 78 -12.026 1.369 1.792 1.00 73.04 H new ATOM 0 HD23 LEU A 78 -11.895 1.422 3.566 1.00 73.04 H new ATOM 305 N SER A 79 -7.776 -0.534 5.028 1.00 62.23 N ATOM 306 CA SER A 79 -7.258 -0.281 6.378 1.00 53.43 C ATOM 307 C SER A 79 -5.722 -0.409 6.429 1.00 11.21 C ATOM 308 O SER A 79 -5.074 0.326 7.170 1.00 61.04 O ATOM 309 CB SER A 79 -7.920 -1.248 7.371 1.00 52.11 C ATOM 310 OG SER A 79 -9.325 -1.097 7.348 1.00 33.14 O ATOM 0 H SER A 79 -8.306 -1.402 4.952 1.00 62.23 H new ATOM 0 HA SER A 79 -7.504 0.744 6.656 1.00 53.43 H new ATOM 0 HB2 SER A 79 -7.655 -2.275 7.119 1.00 52.11 H new ATOM 0 HB3 SER A 79 -7.545 -1.059 8.377 1.00 52.11 H new ATOM 0 HG SER A 79 -9.684 -1.504 6.532 1.00 33.14 H new ATOM 316 N VAL A 80 -5.162 -1.329 5.615 1.00 44.53 N ATOM 317 CA VAL A 80 -3.700 -1.510 5.502 1.00 61.25 C ATOM 318 C VAL A 80 -3.051 -0.241 4.909 1.00 21.04 C ATOM 319 O VAL A 80 -1.995 0.184 5.378 1.00 12.24 O ATOM 320 CB VAL A 80 -3.304 -2.781 4.649 1.00 74.22 C ATOM 321 CG1 VAL A 80 -1.774 -2.905 4.498 1.00 3.33 C ATOM 322 CG2 VAL A 80 -3.878 -4.074 5.265 1.00 33.31 C ATOM 0 H VAL A 80 -5.704 -1.960 5.024 1.00 44.53 H new ATOM 0 HA VAL A 80 -3.321 -1.677 6.510 1.00 61.25 H new ATOM 0 HB VAL A 80 -3.739 -2.646 3.659 1.00 74.22 H new ATOM 0 HG11 VAL A 80 -1.537 -3.789 3.906 1.00 3.33 H new ATOM 0 HG12 VAL A 80 -1.385 -2.018 3.997 1.00 3.33 H new ATOM 0 HG13 VAL A 80 -1.317 -2.995 5.484 1.00 3.33 H new ATOM 0 HG21 VAL A 80 -3.587 -4.928 4.654 1.00 33.31 H new ATOM 0 HG22 VAL A 80 -3.488 -4.200 6.275 1.00 33.31 H new ATOM 0 HG23 VAL A 80 -4.965 -4.008 5.302 1.00 33.31 H new ATOM 332 N ILE A 81 -3.723 0.366 3.901 1.00 32.43 N ATOM 333 CA ILE A 81 -3.277 1.637 3.270 1.00 72.22 C ATOM 334 C ILE A 81 -3.113 2.748 4.343 1.00 21.20 C ATOM 335 O ILE A 81 -2.149 3.514 4.328 1.00 5.12 O ATOM 336 CB ILE A 81 -4.265 2.137 2.133 1.00 61.23 C ATOM 337 CG1 ILE A 81 -4.709 0.980 1.168 1.00 72.52 C ATOM 338 CG2 ILE A 81 -3.640 3.297 1.328 1.00 44.42 C ATOM 339 CD1 ILE A 81 -3.589 0.161 0.533 1.00 51.41 C ATOM 0 H ILE A 81 -4.585 -0.007 3.503 1.00 32.43 H new ATOM 0 HA ILE A 81 -2.315 1.430 2.801 1.00 72.22 H new ATOM 0 HB ILE A 81 -5.161 2.499 2.638 1.00 61.23 H new ATOM 0 HG12 ILE A 81 -5.356 0.301 1.723 1.00 72.52 H new ATOM 0 HG13 ILE A 81 -5.311 1.413 0.369 1.00 72.52 H new ATOM 0 HG21 ILE A 81 -4.337 3.621 0.555 1.00 44.42 H new ATOM 0 HG22 ILE A 81 -3.427 4.131 1.997 1.00 44.42 H new ATOM 0 HG23 ILE A 81 -2.714 2.959 0.863 1.00 44.42 H new ATOM 0 HD11 ILE A 81 -4.019 -0.606 -0.111 1.00 51.41 H new ATOM 0 HD12 ILE A 81 -2.950 0.816 -0.059 1.00 51.41 H new ATOM 0 HD13 ILE A 81 -2.996 -0.313 1.315 1.00 51.41 H new ATOM 351 N GLU A 82 -4.050 2.759 5.301 1.00 40.20 N ATOM 352 CA GLU A 82 -4.054 3.689 6.447 1.00 44.41 C ATOM 353 C GLU A 82 -2.878 3.400 7.414 1.00 51.04 C ATOM 354 O GLU A 82 -2.166 4.317 7.847 1.00 52.20 O ATOM 355 CB GLU A 82 -5.414 3.552 7.189 1.00 62.32 C ATOM 356 CG GLU A 82 -5.607 4.468 8.416 1.00 73.22 C ATOM 357 CD GLU A 82 -5.520 5.967 8.076 1.00 22.14 C ATOM 358 OE1 GLU A 82 -6.314 6.438 7.238 1.00 64.32 O ATOM 359 OE2 GLU A 82 -4.664 6.675 8.638 1.00 11.11 O ATOM 0 H GLU A 82 -4.840 2.114 5.305 1.00 40.20 H new ATOM 0 HA GLU A 82 -3.927 4.708 6.081 1.00 44.41 H new ATOM 0 HB2 GLU A 82 -6.216 3.755 6.479 1.00 62.32 H new ATOM 0 HB3 GLU A 82 -5.528 2.517 7.511 1.00 62.32 H new ATOM 0 HG2 GLU A 82 -6.578 4.260 8.867 1.00 73.22 H new ATOM 0 HG3 GLU A 82 -4.851 4.227 9.163 1.00 73.22 H new ATOM 366 N GLU A 83 -2.685 2.105 7.708 1.00 44.32 N ATOM 367 CA GLU A 83 -1.656 1.609 8.656 1.00 41.03 C ATOM 368 C GLU A 83 -0.229 1.816 8.115 1.00 33.32 C ATOM 369 O GLU A 83 0.731 1.914 8.883 1.00 4.25 O ATOM 370 CB GLU A 83 -1.911 0.113 8.943 1.00 33.41 C ATOM 371 CG GLU A 83 -3.242 -0.173 9.658 1.00 24.40 C ATOM 372 CD GLU A 83 -3.519 -1.672 9.832 1.00 43.31 C ATOM 373 OE1 GLU A 83 -3.944 -2.319 8.852 1.00 54.22 O ATOM 374 OE2 GLU A 83 -3.302 -2.213 10.939 1.00 51.30 O ATOM 0 H GLU A 83 -3.242 1.358 7.293 1.00 44.32 H new ATOM 0 HA GLU A 83 -1.734 2.183 9.579 1.00 41.03 H new ATOM 0 HB2 GLU A 83 -1.893 -0.435 8.001 1.00 33.41 H new ATOM 0 HB3 GLU A 83 -1.094 -0.273 9.552 1.00 33.41 H new ATOM 0 HG2 GLU A 83 -3.232 0.305 10.638 1.00 24.40 H new ATOM 0 HG3 GLU A 83 -4.057 0.278 9.091 1.00 24.40 H new ATOM 381 N MET A 84 -0.119 1.874 6.787 1.00 34.21 N ATOM 382 CA MET A 84 1.138 2.171 6.098 1.00 1.15 C ATOM 383 C MET A 84 1.338 3.695 6.050 1.00 33.03 C ATOM 384 O MET A 84 2.463 4.178 6.175 1.00 30.43 O ATOM 385 CB MET A 84 1.145 1.533 4.679 1.00 20.25 C ATOM 386 CG MET A 84 1.113 -0.006 4.702 1.00 5.25 C ATOM 387 SD MET A 84 1.200 -0.763 3.063 1.00 52.43 S ATOM 388 CE MET A 84 -0.224 -0.092 2.209 1.00 1.24 C ATOM 0 H MET A 84 -0.904 1.715 6.155 1.00 34.21 H new ATOM 0 HA MET A 84 1.974 1.734 6.644 1.00 1.15 H new ATOM 0 HB2 MET A 84 0.284 1.899 4.120 1.00 20.25 H new ATOM 0 HB3 MET A 84 2.036 1.863 4.145 1.00 20.25 H new ATOM 0 HG2 MET A 84 1.946 -0.368 5.304 1.00 5.25 H new ATOM 0 HG3 MET A 84 0.198 -0.334 5.195 1.00 5.25 H new ATOM 0 HE1 MET A 84 -0.283 -0.520 1.208 1.00 1.24 H new ATOM 0 HE2 MET A 84 -1.130 -0.338 2.763 1.00 1.24 H new ATOM 0 HE3 MET A 84 -0.127 0.991 2.135 1.00 1.24 H new ATOM 398 N GLY A 85 0.213 4.435 5.923 1.00 41.21 N ATOM 399 CA GLY A 85 0.208 5.907 5.854 1.00 43.41 C ATOM 400 C GLY A 85 0.784 6.595 7.078 1.00 3.25 C ATOM 401 O GLY A 85 1.349 7.690 6.983 1.00 71.43 O ATOM 0 H GLY A 85 -0.718 4.023 5.866 1.00 41.21 H new ATOM 0 HA2 GLY A 85 0.775 6.219 4.977 1.00 43.41 H new ATOM 0 HA3 GLY A 85 -0.817 6.248 5.709 1.00 43.41 H new ATOM 405 N LYS A 86 0.630 5.953 8.236 1.00 74.53 N ATOM 406 CA LYS A 86 1.154 6.477 9.507 1.00 12.02 C ATOM 407 C LYS A 86 2.576 5.972 9.770 1.00 34.11 C ATOM 408 O LYS A 86 3.295 6.549 10.582 1.00 42.50 O ATOM 409 CB LYS A 86 0.214 6.086 10.672 1.00 63.25 C ATOM 410 CG LYS A 86 0.005 4.565 10.866 1.00 3.34 C ATOM 411 CD LYS A 86 -1.157 4.241 11.835 1.00 22.33 C ATOM 412 CE LYS A 86 -2.520 4.730 11.325 1.00 63.21 C ATOM 413 NZ LYS A 86 -3.603 4.475 12.319 1.00 31.43 N ATOM 0 H LYS A 86 0.143 5.061 8.325 1.00 74.53 H new ATOM 0 HA LYS A 86 1.195 7.564 9.437 1.00 12.02 H new ATOM 0 HB2 LYS A 86 0.614 6.503 11.596 1.00 63.25 H new ATOM 0 HB3 LYS A 86 -0.757 6.552 10.506 1.00 63.25 H new ATOM 0 HG2 LYS A 86 -0.194 4.104 9.899 1.00 3.34 H new ATOM 0 HG3 LYS A 86 0.925 4.122 11.247 1.00 3.34 H new ATOM 0 HD2 LYS A 86 -1.200 3.163 11.994 1.00 22.33 H new ATOM 0 HD3 LYS A 86 -0.953 4.698 12.803 1.00 22.33 H new ATOM 0 HE2 LYS A 86 -2.467 5.797 11.110 1.00 63.21 H new ATOM 0 HE3 LYS A 86 -2.760 4.228 10.388 1.00 63.21 H new ATOM 0 HZ1 LYS A 86 -4.509 4.818 11.941 1.00 31.43 H new ATOM 0 HZ2 LYS A 86 -3.670 3.454 12.505 1.00 31.43 H new ATOM 0 HZ3 LYS A 86 -3.386 4.975 13.205 1.00 31.43 H new ATOM 427 N GLU A 87 2.974 4.895 9.065 1.00 45.21 N ATOM 428 CA GLU A 87 4.251 4.201 9.300 1.00 45.33 C ATOM 429 C GLU A 87 5.404 4.796 8.444 1.00 33.32 C ATOM 430 O GLU A 87 6.573 4.526 8.722 1.00 71.14 O ATOM 431 CB GLU A 87 4.080 2.678 9.011 1.00 24.40 C ATOM 432 CG GLU A 87 4.829 1.751 9.984 1.00 52.20 C ATOM 433 CD GLU A 87 4.412 1.942 11.458 1.00 52.34 C ATOM 434 OE1 GLU A 87 3.309 1.506 11.847 1.00 33.54 O ATOM 435 OE2 GLU A 87 5.179 2.539 12.237 1.00 2.40 O ATOM 0 H GLU A 87 2.417 4.483 8.316 1.00 45.21 H new ATOM 0 HA GLU A 87 4.526 4.344 10.345 1.00 45.33 H new ATOM 0 HB2 GLU A 87 3.018 2.433 9.042 1.00 24.40 H new ATOM 0 HB3 GLU A 87 4.425 2.473 7.997 1.00 24.40 H new ATOM 0 HG2 GLU A 87 4.652 0.715 9.696 1.00 52.20 H new ATOM 0 HG3 GLU A 87 5.900 1.929 9.891 1.00 52.20 H new ATOM 442 N ILE A 88 5.054 5.583 7.408 1.00 53.02 N ATOM 443 CA ILE A 88 6.019 6.242 6.486 1.00 22.11 C ATOM 444 C ILE A 88 7.055 7.120 7.245 1.00 25.31 C ATOM 445 O ILE A 88 8.267 6.966 7.063 1.00 63.13 O ATOM 446 CB ILE A 88 5.234 7.127 5.438 1.00 35.55 C ATOM 447 CG1 ILE A 88 4.222 6.255 4.637 1.00 15.30 C ATOM 448 CG2 ILE A 88 6.184 7.882 4.477 1.00 51.31 C ATOM 449 CD1 ILE A 88 3.266 7.031 3.760 1.00 21.21 C ATOM 0 H ILE A 88 4.081 5.786 7.179 1.00 53.02 H new ATOM 0 HA ILE A 88 6.572 5.455 5.973 1.00 22.11 H new ATOM 0 HB ILE A 88 4.684 7.881 6.001 1.00 35.55 H new ATOM 0 HG12 ILE A 88 4.781 5.558 4.012 1.00 15.30 H new ATOM 0 HG13 ILE A 88 3.643 5.658 5.341 1.00 15.30 H new ATOM 0 HG21 ILE A 88 5.597 8.476 3.777 1.00 51.31 H new ATOM 0 HG22 ILE A 88 6.836 8.539 5.052 1.00 51.31 H new ATOM 0 HG23 ILE A 88 6.789 7.163 3.925 1.00 51.31 H new ATOM 0 HD11 ILE A 88 2.602 6.338 3.243 1.00 21.21 H new ATOM 0 HD12 ILE A 88 2.675 7.708 4.376 1.00 21.21 H new ATOM 0 HD13 ILE A 88 3.831 7.607 3.027 1.00 21.21 H new ATOM 461 N ARG A 89 6.539 8.032 8.084 1.00 24.34 N ATOM 462 CA ARG A 89 7.369 9.026 8.814 1.00 44.41 C ATOM 463 C ARG A 89 8.271 8.402 9.931 1.00 22.32 C ATOM 464 O ARG A 89 9.440 8.789 10.022 1.00 65.42 O ATOM 465 CB ARG A 89 6.513 10.204 9.359 1.00 22.54 C ATOM 466 CG ARG A 89 7.340 11.292 10.078 1.00 14.43 C ATOM 467 CD ARG A 89 6.517 12.523 10.475 1.00 41.32 C ATOM 468 NE ARG A 89 7.316 13.450 11.292 1.00 33.42 N ATOM 469 CZ ARG A 89 7.263 14.792 11.239 1.00 53.12 C ATOM 470 NH1 ARG A 89 6.440 15.426 10.390 1.00 51.42 N ATOM 471 NH2 ARG A 89 8.030 15.495 12.064 1.00 5.13 N ATOM 0 H ARG A 89 5.541 8.108 8.280 1.00 24.34 H new ATOM 0 HA ARG A 89 8.059 9.427 8.072 1.00 44.41 H new ATOM 0 HB2 ARG A 89 5.970 10.660 8.531 1.00 22.54 H new ATOM 0 HB3 ARG A 89 5.768 9.811 10.050 1.00 22.54 H new ATOM 0 HG2 ARG A 89 7.791 10.862 10.972 1.00 14.43 H new ATOM 0 HG3 ARG A 89 8.157 11.605 9.428 1.00 14.43 H new ATOM 0 HD2 ARG A 89 6.164 13.034 9.579 1.00 41.32 H new ATOM 0 HD3 ARG A 89 5.634 12.210 11.032 1.00 41.32 H new ATOM 0 HE ARG A 89 7.969 13.037 11.958 1.00 33.42 H new ATOM 0 HH11 ARG A 89 5.837 14.888 9.767 1.00 51.42 H new ATOM 0 HH12 ARG A 89 6.417 16.445 10.368 1.00 51.42 H new ATOM 0 HH21 ARG A 89 8.645 15.016 12.722 1.00 5.13 H new ATOM 0 HH22 ARG A 89 8.005 16.514 12.040 1.00 5.13 H new ATOM 485 N PRO A 90 7.774 7.480 10.828 1.00 20.23 N ATOM 486 CA PRO A 90 8.665 6.745 11.766 1.00 62.41 C ATOM 487 C PRO A 90 9.757 5.908 11.037 1.00 21.43 C ATOM 488 O PRO A 90 10.904 5.872 11.489 1.00 14.24 O ATOM 489 CB PRO A 90 7.682 5.872 12.602 1.00 52.01 C ATOM 490 CG PRO A 90 6.415 5.832 11.811 1.00 1.10 C ATOM 491 CD PRO A 90 6.348 7.156 11.088 1.00 34.33 C ATOM 0 HA PRO A 90 9.253 7.417 12.391 1.00 62.41 H new ATOM 0 HB2 PRO A 90 8.081 4.869 12.756 1.00 52.01 H new ATOM 0 HB3 PRO A 90 7.515 6.304 13.589 1.00 52.01 H new ATOM 0 HG2 PRO A 90 6.418 5.000 11.107 1.00 1.10 H new ATOM 0 HG3 PRO A 90 5.551 5.696 12.461 1.00 1.10 H new ATOM 0 HD2 PRO A 90 5.778 7.080 10.162 1.00 34.33 H new ATOM 0 HD3 PRO A 90 5.867 7.922 11.696 1.00 34.33 H new ATOM 499 N THR A 91 9.403 5.267 9.895 1.00 15.31 N ATOM 500 CA THR A 91 10.388 4.569 9.022 1.00 43.42 C ATOM 501 C THR A 91 11.456 5.566 8.507 1.00 3.41 C ATOM 502 O THR A 91 12.663 5.301 8.558 1.00 4.23 O ATOM 503 CB THR A 91 9.653 3.873 7.832 1.00 70.42 C ATOM 504 OG1 THR A 91 8.822 2.824 8.348 1.00 2.51 O ATOM 505 CG2 THR A 91 10.599 3.278 6.776 1.00 54.35 C ATOM 0 H THR A 91 8.443 5.218 9.555 1.00 15.31 H new ATOM 0 HA THR A 91 10.897 3.802 9.606 1.00 43.42 H new ATOM 0 HB THR A 91 9.071 4.647 7.332 1.00 70.42 H new ATOM 0 HG1 THR A 91 7.932 3.181 8.551 1.00 2.51 H new ATOM 0 HG21 THR A 91 10.013 2.813 5.983 1.00 54.35 H new ATOM 0 HG22 THR A 91 11.217 4.070 6.353 1.00 54.35 H new ATOM 0 HG23 THR A 91 11.239 2.528 7.242 1.00 54.35 H new ATOM 513 N TYR A 92 10.969 6.730 8.057 1.00 11.23 N ATOM 514 CA TYR A 92 11.787 7.869 7.609 1.00 0.44 C ATOM 515 C TYR A 92 12.728 8.354 8.731 1.00 51.21 C ATOM 516 O TYR A 92 13.871 8.748 8.473 1.00 70.13 O ATOM 517 CB TYR A 92 10.837 9.002 7.141 1.00 23.00 C ATOM 518 CG TYR A 92 11.514 10.277 6.640 1.00 25.53 C ATOM 519 CD1 TYR A 92 12.110 10.320 5.387 1.00 21.31 C ATOM 520 CD2 TYR A 92 11.531 11.448 7.408 1.00 40.45 C ATOM 521 CE1 TYR A 92 12.703 11.461 4.919 1.00 4.34 C ATOM 522 CE2 TYR A 92 12.127 12.601 6.935 1.00 11.41 C ATOM 523 CZ TYR A 92 12.711 12.600 5.684 1.00 63.34 C ATOM 524 OH TYR A 92 13.304 13.744 5.191 1.00 14.50 O ATOM 0 H TYR A 92 9.967 6.912 7.992 1.00 11.23 H new ATOM 0 HA TYR A 92 12.422 7.560 6.779 1.00 0.44 H new ATOM 0 HB2 TYR A 92 10.204 8.613 6.344 1.00 23.00 H new ATOM 0 HB3 TYR A 92 10.180 9.264 7.970 1.00 23.00 H new ATOM 0 HD1 TYR A 92 12.106 9.435 4.769 1.00 21.31 H new ATOM 0 HD2 TYR A 92 11.071 11.450 8.385 1.00 40.45 H new ATOM 0 HE1 TYR A 92 13.167 11.465 3.944 1.00 4.34 H new ATOM 0 HE2 TYR A 92 12.136 13.496 7.539 1.00 11.41 H new ATOM 0 HH TYR A 92 13.226 14.464 5.852 1.00 14.50 H new ATOM 534 N ALA A 93 12.236 8.269 9.983 1.00 20.20 N ATOM 535 CA ALA A 93 12.966 8.698 11.191 1.00 31.12 C ATOM 536 C ALA A 93 13.936 7.607 11.695 1.00 62.31 C ATOM 537 O ALA A 93 14.485 7.712 12.799 1.00 62.40 O ATOM 538 CB ALA A 93 11.956 9.081 12.284 1.00 25.14 C ATOM 0 H ALA A 93 11.309 7.896 10.185 1.00 20.20 H new ATOM 0 HA ALA A 93 13.574 9.566 10.937 1.00 31.12 H new ATOM 0 HB1 ALA A 93 12.491 9.399 13.179 1.00 25.14 H new ATOM 0 HB2 ALA A 93 11.327 9.897 11.928 1.00 25.14 H new ATOM 0 HB3 ALA A 93 11.332 8.219 12.521 1.00 25.14 H new ATOM 544 N GLY A 94 14.147 6.561 10.872 1.00 4.24 N ATOM 545 CA GLY A 94 15.124 5.513 11.158 1.00 74.40 C ATOM 546 C GLY A 94 14.645 4.426 12.107 1.00 24.21 C ATOM 547 O GLY A 94 15.459 3.614 12.565 1.00 65.41 O ATOM 0 H GLY A 94 13.643 6.427 9.996 1.00 4.24 H new ATOM 0 HA2 GLY A 94 15.421 5.048 10.218 1.00 74.40 H new ATOM 0 HA3 GLY A 94 16.016 5.975 11.580 1.00 74.40 H new ATOM 551 N SER A 95 13.341 4.398 12.419 1.00 24.03 N ATOM 552 CA SER A 95 12.753 3.330 13.245 1.00 64.01 C ATOM 553 C SER A 95 12.632 2.028 12.422 1.00 13.54 C ATOM 554 O SER A 95 11.765 1.916 11.548 1.00 14.41 O ATOM 555 CB SER A 95 11.383 3.771 13.798 1.00 52.54 C ATOM 556 OG SER A 95 11.484 5.007 14.479 1.00 13.02 O ATOM 0 H SER A 95 12.671 5.103 12.112 1.00 24.03 H new ATOM 0 HA SER A 95 13.409 3.135 14.094 1.00 64.01 H new ATOM 0 HB2 SER A 95 10.668 3.860 12.980 1.00 52.54 H new ATOM 0 HB3 SER A 95 10.998 3.009 14.476 1.00 52.54 H new ATOM 0 HG SER A 95 10.602 5.266 14.819 1.00 13.02 H new ATOM 562 N LYS A 96 13.564 1.086 12.675 1.00 12.24 N ATOM 563 CA LYS A 96 13.585 -0.256 12.045 1.00 1.23 C ATOM 564 C LYS A 96 12.361 -1.101 12.452 1.00 62.21 C ATOM 565 O LYS A 96 11.967 -2.019 11.727 1.00 44.24 O ATOM 566 CB LYS A 96 14.920 -0.970 12.390 1.00 22.12 C ATOM 567 CG LYS A 96 15.167 -1.207 13.897 1.00 11.12 C ATOM 568 CD LYS A 96 16.608 -1.685 14.197 1.00 15.23 C ATOM 569 CE LYS A 96 16.855 -1.899 15.702 1.00 43.15 C ATOM 570 NZ LYS A 96 15.963 -2.945 16.285 1.00 53.43 N ATOM 0 H LYS A 96 14.333 1.235 13.329 1.00 12.24 H new ATOM 0 HA LYS A 96 13.523 -0.134 10.964 1.00 1.23 H new ATOM 0 HB2 LYS A 96 14.942 -1.932 11.878 1.00 22.12 H new ATOM 0 HB3 LYS A 96 15.744 -0.378 11.991 1.00 22.12 H new ATOM 0 HG2 LYS A 96 14.974 -0.283 14.443 1.00 11.12 H new ATOM 0 HG3 LYS A 96 14.458 -1.949 14.265 1.00 11.12 H new ATOM 0 HD2 LYS A 96 16.797 -2.617 13.665 1.00 15.23 H new ATOM 0 HD3 LYS A 96 17.318 -0.951 13.816 1.00 15.23 H new ATOM 0 HE2 LYS A 96 17.895 -2.184 15.859 1.00 43.15 H new ATOM 0 HE3 LYS A 96 16.699 -0.958 16.230 1.00 43.15 H new ATOM 0 HZ1 LYS A 96 16.236 -3.123 17.272 1.00 53.43 H new ATOM 0 HZ2 LYS A 96 14.976 -2.617 16.253 1.00 53.43 H new ATOM 0 HZ3 LYS A 96 16.054 -3.824 15.737 1.00 53.43 H new ATOM 584 N SER A 97 11.762 -0.767 13.609 1.00 70.33 N ATOM 585 CA SER A 97 10.497 -1.363 14.064 1.00 43.33 C ATOM 586 C SER A 97 9.340 -0.945 13.128 1.00 61.44 C ATOM 587 O SER A 97 8.527 -1.778 12.714 1.00 0.01 O ATOM 588 CB SER A 97 10.209 -0.920 15.517 1.00 73.22 C ATOM 589 OG SER A 97 11.280 -1.267 16.386 1.00 34.41 O ATOM 0 H SER A 97 12.143 -0.075 14.254 1.00 70.33 H new ATOM 0 HA SER A 97 10.581 -2.449 14.036 1.00 43.33 H new ATOM 0 HB2 SER A 97 10.049 0.158 15.546 1.00 73.22 H new ATOM 0 HB3 SER A 97 9.289 -1.388 15.866 1.00 73.22 H new ATOM 0 HG SER A 97 11.070 -0.973 17.297 1.00 34.41 H new ATOM 595 N ALA A 98 9.291 0.363 12.815 1.00 1.53 N ATOM 596 CA ALA A 98 8.324 0.941 11.871 1.00 75.10 C ATOM 597 C ALA A 98 8.519 0.387 10.457 1.00 14.32 C ATOM 598 O ALA A 98 7.550 0.038 9.790 1.00 31.24 O ATOM 599 CB ALA A 98 8.457 2.461 11.868 1.00 32.00 C ATOM 0 H ALA A 98 9.928 1.052 13.215 1.00 1.53 H new ATOM 0 HA ALA A 98 7.321 0.664 12.196 1.00 75.10 H new ATOM 0 HB1 ALA A 98 7.739 2.888 11.167 1.00 32.00 H new ATOM 0 HB2 ALA A 98 8.260 2.845 12.869 1.00 32.00 H new ATOM 0 HB3 ALA A 98 9.467 2.737 11.566 1.00 32.00 H new ATOM 605 N MET A 99 9.792 0.300 10.031 1.00 13.53 N ATOM 606 CA MET A 99 10.173 -0.239 8.714 1.00 14.12 C ATOM 607 C MET A 99 9.682 -1.689 8.559 1.00 41.30 C ATOM 608 O MET A 99 9.123 -2.049 7.531 1.00 52.14 O ATOM 609 CB MET A 99 11.709 -0.166 8.550 1.00 34.44 C ATOM 610 CG MET A 99 12.244 -0.665 7.199 1.00 61.12 C ATOM 611 SD MET A 99 14.046 -0.635 7.118 1.00 53.33 S ATOM 612 CE MET A 99 14.503 -1.763 8.440 1.00 32.54 C ATOM 0 H MET A 99 10.588 0.603 10.593 1.00 13.53 H new ATOM 0 HA MET A 99 9.702 0.361 7.935 1.00 14.12 H new ATOM 0 HB2 MET A 99 12.025 0.868 8.689 1.00 34.44 H new ATOM 0 HB3 MET A 99 12.172 -0.751 9.345 1.00 34.44 H new ATOM 0 HG2 MET A 99 11.892 -1.682 7.026 1.00 61.12 H new ATOM 0 HG3 MET A 99 11.837 -0.046 6.399 1.00 61.12 H new ATOM 0 HE1 MET A 99 15.334 -2.388 8.114 1.00 32.54 H new ATOM 0 HE2 MET A 99 14.801 -1.192 9.319 1.00 32.54 H new ATOM 0 HE3 MET A 99 13.651 -2.395 8.690 1.00 32.54 H new ATOM 622 N GLU A 100 9.869 -2.478 9.633 1.00 31.14 N ATOM 623 CA GLU A 100 9.412 -3.876 9.724 1.00 72.01 C ATOM 624 C GLU A 100 7.888 -3.971 9.519 1.00 31.30 C ATOM 625 O GLU A 100 7.412 -4.742 8.686 1.00 65.15 O ATOM 626 CB GLU A 100 9.815 -4.457 11.106 1.00 24.51 C ATOM 627 CG GLU A 100 9.334 -5.894 11.376 1.00 54.52 C ATOM 628 CD GLU A 100 9.672 -6.375 12.796 1.00 14.32 C ATOM 629 OE1 GLU A 100 8.893 -6.099 13.722 1.00 32.13 O ATOM 630 OE2 GLU A 100 10.733 -7.000 13.002 1.00 1.21 O ATOM 0 H GLU A 100 10.349 -2.157 10.474 1.00 31.14 H new ATOM 0 HA GLU A 100 9.888 -4.458 8.935 1.00 72.01 H new ATOM 0 HB2 GLU A 100 10.901 -4.432 11.190 1.00 24.51 H new ATOM 0 HB3 GLU A 100 9.420 -3.806 11.886 1.00 24.51 H new ATOM 0 HG2 GLU A 100 8.256 -5.946 11.226 1.00 54.52 H new ATOM 0 HG3 GLU A 100 9.790 -6.568 10.650 1.00 54.52 H new ATOM 637 N ARG A 101 7.159 -3.129 10.256 1.00 32.32 N ATOM 638 CA ARG A 101 5.684 -3.100 10.260 1.00 21.35 C ATOM 639 C ARG A 101 5.159 -2.682 8.862 1.00 23.31 C ATOM 640 O ARG A 101 4.199 -3.261 8.346 1.00 63.41 O ATOM 641 CB ARG A 101 5.249 -2.108 11.375 1.00 3.12 C ATOM 642 CG ARG A 101 3.763 -2.125 11.829 1.00 14.13 C ATOM 643 CD ARG A 101 2.756 -1.557 10.805 1.00 63.53 C ATOM 644 NE ARG A 101 1.527 -1.106 11.459 1.00 15.41 N ATOM 645 CZ ARG A 101 0.298 -1.594 11.256 1.00 10.31 C ATOM 646 NH1 ARG A 101 0.065 -2.578 10.389 1.00 44.15 N ATOM 647 NH2 ARG A 101 -0.706 -1.081 11.931 1.00 52.40 N ATOM 0 H ARG A 101 7.577 -2.436 10.877 1.00 32.32 H new ATOM 0 HA ARG A 101 5.262 -4.083 10.467 1.00 21.35 H new ATOM 0 HB2 ARG A 101 5.868 -2.299 12.252 1.00 3.12 H new ATOM 0 HB3 ARG A 101 5.482 -1.099 11.034 1.00 3.12 H new ATOM 0 HG2 ARG A 101 3.482 -3.153 12.059 1.00 14.13 H new ATOM 0 HG3 ARG A 101 3.676 -1.556 12.754 1.00 14.13 H new ATOM 0 HD2 ARG A 101 3.211 -0.725 10.268 1.00 63.53 H new ATOM 0 HD3 ARG A 101 2.517 -2.321 10.065 1.00 63.53 H new ATOM 0 HE ARG A 101 1.616 -0.347 12.134 1.00 15.41 H new ATOM 0 HH11 ARG A 101 0.836 -2.982 9.857 1.00 44.15 H new ATOM 0 HH12 ARG A 101 -0.884 -2.928 10.257 1.00 44.15 H new ATOM 0 HH21 ARG A 101 -0.541 -0.325 12.595 1.00 52.40 H new ATOM 0 HH22 ARG A 101 -1.651 -1.439 11.791 1.00 52.40 H new ATOM 661 N LEU A 102 5.851 -1.700 8.270 1.00 64.22 N ATOM 662 CA LEU A 102 5.513 -1.101 6.965 1.00 14.42 C ATOM 663 C LEU A 102 5.723 -2.106 5.812 1.00 45.23 C ATOM 664 O LEU A 102 4.877 -2.212 4.914 1.00 53.11 O ATOM 665 CB LEU A 102 6.393 0.164 6.768 1.00 4.03 C ATOM 666 CG LEU A 102 6.222 0.967 5.445 1.00 71.35 C ATOM 667 CD1 LEU A 102 4.790 1.487 5.260 1.00 75.44 C ATOM 668 CD2 LEU A 102 7.228 2.122 5.399 1.00 54.30 C ATOM 0 H LEU A 102 6.683 -1.287 8.693 1.00 64.22 H new ATOM 0 HA LEU A 102 4.458 -0.826 6.953 1.00 14.42 H new ATOM 0 HB2 LEU A 102 6.197 0.842 7.599 1.00 4.03 H new ATOM 0 HB3 LEU A 102 7.437 -0.139 6.844 1.00 4.03 H new ATOM 0 HG LEU A 102 6.419 0.285 4.618 1.00 71.35 H new ATOM 0 HD11 LEU A 102 4.722 2.040 4.323 1.00 75.44 H new ATOM 0 HD12 LEU A 102 4.098 0.645 5.236 1.00 75.44 H new ATOM 0 HD13 LEU A 102 4.532 2.145 6.090 1.00 75.44 H new ATOM 0 HD21 LEU A 102 7.101 2.678 4.470 1.00 54.30 H new ATOM 0 HD22 LEU A 102 7.058 2.787 6.246 1.00 54.30 H new ATOM 0 HD23 LEU A 102 8.242 1.724 5.448 1.00 54.30 H new ATOM 680 N LYS A 103 6.860 -2.832 5.858 1.00 1.11 N ATOM 681 CA LYS A 103 7.185 -3.886 4.878 1.00 55.24 C ATOM 682 C LYS A 103 6.179 -5.037 4.967 1.00 33.43 C ATOM 683 O LYS A 103 5.708 -5.522 3.942 1.00 0.25 O ATOM 684 CB LYS A 103 8.626 -4.424 5.087 1.00 12.45 C ATOM 685 CG LYS A 103 9.749 -3.411 4.778 1.00 23.44 C ATOM 686 CD LYS A 103 11.154 -4.046 4.840 1.00 14.24 C ATOM 687 CE LYS A 103 11.351 -5.159 3.794 1.00 55.31 C ATOM 688 NZ LYS A 103 12.716 -5.764 3.859 1.00 32.35 N ATOM 0 H LYS A 103 7.575 -2.703 6.574 1.00 1.11 H new ATOM 0 HA LYS A 103 7.126 -3.441 3.885 1.00 55.24 H new ATOM 0 HB2 LYS A 103 8.729 -4.754 6.121 1.00 12.45 H new ATOM 0 HB3 LYS A 103 8.765 -5.302 4.457 1.00 12.45 H new ATOM 0 HG2 LYS A 103 9.589 -2.988 3.786 1.00 23.44 H new ATOM 0 HG3 LYS A 103 9.695 -2.586 5.489 1.00 23.44 H new ATOM 0 HD2 LYS A 103 11.905 -3.271 4.686 1.00 14.24 H new ATOM 0 HD3 LYS A 103 11.319 -4.456 5.836 1.00 14.24 H new ATOM 0 HE2 LYS A 103 10.604 -5.937 3.950 1.00 55.31 H new ATOM 0 HE3 LYS A 103 11.184 -4.751 2.797 1.00 55.31 H new ATOM 0 HZ1 LYS A 103 12.801 -6.507 3.137 1.00 32.35 H new ATOM 0 HZ2 LYS A 103 13.430 -5.029 3.685 1.00 32.35 H new ATOM 0 HZ3 LYS A 103 12.868 -6.178 4.801 1.00 32.35 H new ATOM 702 N ARG A 104 5.853 -5.451 6.206 1.00 43.42 N ATOM 703 CA ARG A 104 4.864 -6.512 6.462 1.00 33.13 C ATOM 704 C ARG A 104 3.474 -6.087 5.949 1.00 21.23 C ATOM 705 O ARG A 104 2.723 -6.909 5.413 1.00 31.01 O ATOM 706 CB ARG A 104 4.778 -6.839 7.981 1.00 73.12 C ATOM 707 CG ARG A 104 3.832 -8.017 8.317 1.00 54.34 C ATOM 708 CD ARG A 104 3.605 -8.219 9.823 1.00 71.24 C ATOM 709 NE ARG A 104 2.624 -9.299 10.063 1.00 32.53 N ATOM 710 CZ ARG A 104 1.535 -9.225 10.854 1.00 61.33 C ATOM 711 NH1 ARG A 104 1.244 -8.117 11.527 1.00 23.51 N ATOM 712 NH2 ARG A 104 0.725 -10.267 10.957 1.00 22.43 N ATOM 0 H ARG A 104 6.266 -5.061 7.053 1.00 43.42 H new ATOM 0 HA ARG A 104 5.189 -7.405 5.928 1.00 33.13 H new ATOM 0 HB2 ARG A 104 5.777 -7.072 8.350 1.00 73.12 H new ATOM 0 HB3 ARG A 104 4.440 -5.951 8.515 1.00 73.12 H new ATOM 0 HG2 ARG A 104 2.870 -7.848 7.833 1.00 54.34 H new ATOM 0 HG3 ARG A 104 4.244 -8.934 7.895 1.00 54.34 H new ATOM 0 HD2 ARG A 104 4.550 -8.464 10.309 1.00 71.24 H new ATOM 0 HD3 ARG A 104 3.248 -7.291 10.270 1.00 71.24 H new ATOM 0 HE ARG A 104 2.787 -10.185 9.584 1.00 32.53 H new ATOM 0 HH11 ARG A 104 1.850 -7.300 11.451 1.00 23.51 H new ATOM 0 HH12 ARG A 104 0.415 -8.083 12.120 1.00 23.51 H new ATOM 0 HH21 ARG A 104 0.926 -11.122 10.439 1.00 22.43 H new ATOM 0 HH22 ARG A 104 -0.100 -10.215 11.555 1.00 22.43 H new ATOM 726 N GLY A 105 3.157 -4.792 6.136 1.00 33.43 N ATOM 727 CA GLY A 105 1.901 -4.213 5.676 1.00 34.12 C ATOM 728 C GLY A 105 1.761 -4.272 4.160 1.00 72.24 C ATOM 729 O GLY A 105 0.699 -4.609 3.649 1.00 24.43 O ATOM 0 H GLY A 105 3.769 -4.127 6.610 1.00 33.43 H new ATOM 0 HA2 GLY A 105 1.068 -4.744 6.137 1.00 34.12 H new ATOM 0 HA3 GLY A 105 1.839 -3.176 6.005 1.00 34.12 H new ATOM 733 N ILE A 106 2.859 -3.977 3.456 1.00 33.44 N ATOM 734 CA ILE A 106 2.913 -4.008 1.984 1.00 61.40 C ATOM 735 C ILE A 106 2.896 -5.457 1.440 1.00 62.30 C ATOM 736 O ILE A 106 2.248 -5.718 0.433 1.00 3.41 O ATOM 737 CB ILE A 106 4.159 -3.164 1.475 1.00 70.42 C ATOM 738 CG1 ILE A 106 3.777 -1.648 1.425 1.00 23.12 C ATOM 739 CG2 ILE A 106 4.702 -3.648 0.114 1.00 4.43 C ATOM 740 CD1 ILE A 106 4.926 -0.675 1.323 1.00 71.53 C ATOM 0 H ILE A 106 3.742 -3.708 3.890 1.00 33.44 H new ATOM 0 HA ILE A 106 2.014 -3.539 1.584 1.00 61.40 H new ATOM 0 HB ILE A 106 4.971 -3.313 2.187 1.00 70.42 H new ATOM 0 HG12 ILE A 106 3.117 -1.489 0.573 1.00 23.12 H new ATOM 0 HG13 ILE A 106 3.204 -1.409 2.321 1.00 23.12 H new ATOM 0 HG21 ILE A 106 5.552 -3.032 -0.179 1.00 4.43 H new ATOM 0 HG22 ILE A 106 5.019 -4.687 0.198 1.00 4.43 H new ATOM 0 HG23 ILE A 106 3.919 -3.567 -0.640 1.00 4.43 H new ATOM 0 HD11 ILE A 106 4.539 0.344 1.296 1.00 71.53 H new ATOM 0 HD12 ILE A 106 5.580 -0.792 2.187 1.00 71.53 H new ATOM 0 HD13 ILE A 106 5.491 -0.873 0.412 1.00 71.53 H new ATOM 752 N ILE A 107 3.580 -6.387 2.126 1.00 41.33 N ATOM 753 CA ILE A 107 3.571 -7.826 1.768 1.00 13.40 C ATOM 754 C ILE A 107 2.134 -8.393 1.900 1.00 41.45 C ATOM 755 O ILE A 107 1.654 -9.134 1.028 1.00 61.15 O ATOM 756 CB ILE A 107 4.617 -8.623 2.647 1.00 33.21 C ATOM 757 CG1 ILE A 107 6.072 -8.217 2.245 1.00 31.45 C ATOM 758 CG2 ILE A 107 4.423 -10.149 2.542 1.00 22.52 C ATOM 759 CD1 ILE A 107 7.179 -8.859 3.062 1.00 61.42 C ATOM 0 H ILE A 107 4.154 -6.170 2.941 1.00 41.33 H new ATOM 0 HA ILE A 107 3.877 -7.945 0.729 1.00 13.40 H new ATOM 0 HB ILE A 107 4.447 -8.355 3.690 1.00 33.21 H new ATOM 0 HG12 ILE A 107 6.225 -8.471 1.196 1.00 31.45 H new ATOM 0 HG13 ILE A 107 6.164 -7.134 2.328 1.00 31.45 H new ATOM 0 HG21 ILE A 107 5.164 -10.653 3.162 1.00 22.52 H new ATOM 0 HG22 ILE A 107 3.422 -10.413 2.884 1.00 22.52 H new ATOM 0 HG23 ILE A 107 4.545 -10.461 1.505 1.00 22.52 H new ATOM 0 HD11 ILE A 107 8.147 -8.510 2.701 1.00 61.42 H new ATOM 0 HD12 ILE A 107 7.063 -8.586 4.111 1.00 61.42 H new ATOM 0 HD13 ILE A 107 7.124 -9.943 2.961 1.00 61.42 H new ATOM 771 N HIS A 108 1.460 -7.978 2.988 1.00 45.12 N ATOM 772 CA HIS A 108 0.039 -8.279 3.259 1.00 61.04 C ATOM 773 C HIS A 108 -0.845 -7.716 2.129 1.00 64.44 C ATOM 774 O HIS A 108 -1.586 -8.457 1.487 1.00 0.51 O ATOM 775 CB HIS A 108 -0.362 -7.672 4.632 1.00 41.33 C ATOM 776 CG HIS A 108 -1.760 -7.961 5.110 1.00 74.34 C ATOM 777 ND1 HIS A 108 -2.404 -7.139 6.001 1.00 24.01 N ATOM 778 CD2 HIS A 108 -2.615 -8.984 4.861 1.00 71.21 C ATOM 779 CE1 HIS A 108 -3.585 -7.635 6.283 1.00 0.25 C ATOM 780 NE2 HIS A 108 -3.747 -8.757 5.602 1.00 21.12 N ATOM 0 H HIS A 108 1.894 -7.413 3.718 1.00 45.12 H new ATOM 0 HA HIS A 108 -0.107 -9.359 3.296 1.00 61.04 H new ATOM 0 HB2 HIS A 108 0.338 -8.036 5.384 1.00 41.33 H new ATOM 0 HB3 HIS A 108 -0.237 -6.591 4.577 1.00 41.33 H new ATOM 0 HD2 HIS A 108 -2.438 -9.821 4.202 1.00 71.21 H new ATOM 0 HE1 HIS A 108 -4.306 -7.199 6.959 1.00 0.25 H new ATOM 0 HE2 HIS A 108 -4.574 -9.353 5.624 1.00 21.12 H new ATOM 789 N ALA A 109 -0.680 -6.414 1.866 1.00 62.43 N ATOM 790 CA ALA A 109 -1.501 -5.662 0.904 1.00 52.41 C ATOM 791 C ALA A 109 -1.349 -6.195 -0.535 1.00 3.21 C ATOM 792 O ALA A 109 -2.320 -6.247 -1.291 1.00 12.43 O ATOM 793 CB ALA A 109 -1.121 -4.181 0.970 1.00 12.33 C ATOM 0 H ALA A 109 0.035 -5.845 2.319 1.00 62.43 H new ATOM 0 HA ALA A 109 -2.548 -5.790 1.177 1.00 52.41 H new ATOM 0 HB1 ALA A 109 -1.726 -3.618 0.259 1.00 12.33 H new ATOM 0 HB2 ALA A 109 -1.300 -3.804 1.977 1.00 12.33 H new ATOM 0 HB3 ALA A 109 -0.066 -4.065 0.721 1.00 12.33 H new ATOM 799 N ARG A 110 -0.122 -6.604 -0.873 1.00 64.24 N ATOM 800 CA ARG A 110 0.250 -7.078 -2.218 1.00 22.21 C ATOM 801 C ARG A 110 -0.472 -8.407 -2.511 1.00 32.01 C ATOM 802 O ARG A 110 -1.019 -8.594 -3.601 1.00 10.12 O ATOM 803 CB ARG A 110 1.811 -7.188 -2.292 1.00 62.11 C ATOM 804 CG ARG A 110 2.452 -7.152 -3.704 1.00 10.44 C ATOM 805 CD ARG A 110 2.312 -8.457 -4.508 1.00 33.23 C ATOM 806 NE ARG A 110 2.778 -8.309 -5.892 1.00 44.54 N ATOM 807 CZ ARG A 110 2.678 -9.249 -6.843 1.00 2.12 C ATOM 808 NH1 ARG A 110 2.127 -10.441 -6.585 1.00 24.32 N ATOM 809 NH2 ARG A 110 3.130 -8.990 -8.056 1.00 1.30 N ATOM 0 H ARG A 110 0.655 -6.617 -0.213 1.00 64.24 H new ATOM 0 HA ARG A 110 -0.065 -6.378 -2.991 1.00 22.21 H new ATOM 0 HB2 ARG A 110 2.236 -6.374 -1.706 1.00 62.11 H new ATOM 0 HB3 ARG A 110 2.109 -8.118 -1.808 1.00 62.11 H new ATOM 0 HG2 ARG A 110 1.999 -6.340 -4.273 1.00 10.44 H new ATOM 0 HG3 ARG A 110 3.511 -6.917 -3.601 1.00 10.44 H new ATOM 0 HD2 ARG A 110 2.881 -9.247 -4.017 1.00 33.23 H new ATOM 0 HD3 ARG A 110 1.268 -8.770 -4.510 1.00 33.23 H new ATOM 0 HE ARG A 110 3.211 -7.423 -6.150 1.00 44.54 H new ATOM 0 HH11 ARG A 110 1.774 -10.648 -5.651 1.00 24.32 H new ATOM 0 HH12 ARG A 110 2.060 -11.142 -7.323 1.00 24.32 H new ATOM 0 HH21 ARG A 110 3.550 -8.083 -8.261 1.00 1.30 H new ATOM 0 HH22 ARG A 110 3.060 -9.697 -8.788 1.00 1.30 H new ATOM 823 N ALA A 111 -0.527 -9.282 -1.489 1.00 54.14 N ATOM 824 CA ALA A 111 -1.207 -10.585 -1.574 1.00 1.12 C ATOM 825 C ALA A 111 -2.725 -10.400 -1.751 1.00 23.23 C ATOM 826 O ALA A 111 -3.363 -11.130 -2.518 1.00 72.34 O ATOM 827 CB ALA A 111 -0.911 -11.415 -0.319 1.00 22.53 C ATOM 0 H ALA A 111 -0.100 -9.103 -0.580 1.00 54.14 H new ATOM 0 HA ALA A 111 -0.827 -11.117 -2.446 1.00 1.12 H new ATOM 0 HB1 ALA A 111 -1.418 -12.377 -0.391 1.00 22.53 H new ATOM 0 HB2 ALA A 111 0.164 -11.577 -0.235 1.00 22.53 H new ATOM 0 HB3 ALA A 111 -1.268 -10.882 0.562 1.00 22.53 H new ATOM 833 N LEU A 112 -3.268 -9.373 -1.058 1.00 23.51 N ATOM 834 CA LEU A 112 -4.712 -9.060 -1.059 1.00 41.15 C ATOM 835 C LEU A 112 -5.208 -8.703 -2.477 1.00 71.40 C ATOM 836 O LEU A 112 -6.255 -9.183 -2.900 1.00 41.04 O ATOM 837 CB LEU A 112 -5.030 -7.910 -0.059 1.00 22.20 C ATOM 838 CG LEU A 112 -4.738 -8.223 1.445 1.00 71.33 C ATOM 839 CD1 LEU A 112 -4.838 -6.966 2.323 1.00 41.13 C ATOM 840 CD2 LEU A 112 -5.666 -9.325 1.982 1.00 72.42 C ATOM 0 H LEU A 112 -2.715 -8.738 -0.482 1.00 23.51 H new ATOM 0 HA LEU A 112 -5.245 -9.954 -0.734 1.00 41.15 H new ATOM 0 HB2 LEU A 112 -4.453 -7.032 -0.348 1.00 22.20 H new ATOM 0 HB3 LEU A 112 -6.083 -7.646 -0.159 1.00 22.20 H new ATOM 0 HG LEU A 112 -3.711 -8.585 1.494 1.00 71.33 H new ATOM 0 HD11 LEU A 112 -4.628 -7.229 3.360 1.00 41.13 H new ATOM 0 HD12 LEU A 112 -4.114 -6.226 1.982 1.00 41.13 H new ATOM 0 HD13 LEU A 112 -5.843 -6.551 2.251 1.00 41.13 H new ATOM 0 HD21 LEU A 112 -5.435 -9.517 3.030 1.00 72.42 H new ATOM 0 HD22 LEU A 112 -6.703 -9.003 1.892 1.00 72.42 H new ATOM 0 HD23 LEU A 112 -5.518 -10.238 1.405 1.00 72.42 H new ATOM 852 N VAL A 113 -4.419 -7.894 -3.208 1.00 41.44 N ATOM 853 CA VAL A 113 -4.799 -7.410 -4.551 1.00 73.43 C ATOM 854 C VAL A 113 -4.655 -8.535 -5.602 1.00 13.02 C ATOM 855 O VAL A 113 -5.576 -8.775 -6.396 1.00 35.24 O ATOM 856 CB VAL A 113 -3.953 -6.153 -5.004 1.00 5.33 C ATOM 857 CG1 VAL A 113 -4.537 -5.521 -6.289 1.00 23.24 C ATOM 858 CG2 VAL A 113 -3.835 -5.096 -3.887 1.00 14.24 C ATOM 0 H VAL A 113 -3.509 -7.560 -2.890 1.00 41.44 H new ATOM 0 HA VAL A 113 -5.843 -7.103 -4.484 1.00 73.43 H new ATOM 0 HB VAL A 113 -2.947 -6.513 -5.220 1.00 5.33 H new ATOM 0 HG11 VAL A 113 -3.935 -4.659 -6.577 1.00 23.24 H new ATOM 0 HG12 VAL A 113 -4.526 -6.256 -7.094 1.00 23.24 H new ATOM 0 HG13 VAL A 113 -5.563 -5.202 -6.104 1.00 23.24 H new ATOM 0 HG21 VAL A 113 -3.246 -4.252 -4.245 1.00 14.24 H new ATOM 0 HG22 VAL A 113 -4.830 -4.750 -3.606 1.00 14.24 H new ATOM 0 HG23 VAL A 113 -3.346 -5.537 -3.019 1.00 14.24 H new ATOM 868 N ARG A 114 -3.505 -9.248 -5.576 1.00 3.23 N ATOM 869 CA ARG A 114 -3.160 -10.228 -6.636 1.00 53.22 C ATOM 870 C ARG A 114 -4.026 -11.508 -6.563 1.00 21.12 C ATOM 871 O ARG A 114 -4.335 -12.100 -7.596 1.00 2.42 O ATOM 872 CB ARG A 114 -1.630 -10.532 -6.650 1.00 32.45 C ATOM 873 CG ARG A 114 -0.995 -11.178 -5.390 1.00 23.42 C ATOM 874 CD ARG A 114 -1.161 -12.704 -5.296 1.00 1.32 C ATOM 875 NE ARG A 114 -0.743 -13.389 -6.535 1.00 62.31 N ATOM 876 CZ ARG A 114 -1.486 -14.280 -7.218 1.00 11.42 C ATOM 877 NH1 ARG A 114 -2.690 -14.633 -6.787 1.00 51.11 N ATOM 878 NH2 ARG A 114 -1.031 -14.789 -8.351 1.00 71.53 N ATOM 0 H ARG A 114 -2.804 -9.165 -4.839 1.00 3.23 H new ATOM 0 HA ARG A 114 -3.400 -9.767 -7.594 1.00 53.22 H new ATOM 0 HB2 ARG A 114 -1.430 -11.189 -7.497 1.00 32.45 H new ATOM 0 HB3 ARG A 114 -1.107 -9.595 -6.842 1.00 32.45 H new ATOM 0 HG2 ARG A 114 0.069 -10.940 -5.374 1.00 23.42 H new ATOM 0 HG3 ARG A 114 -1.437 -10.723 -4.504 1.00 23.42 H new ATOM 0 HD2 ARG A 114 -0.573 -13.081 -4.459 1.00 1.32 H new ATOM 0 HD3 ARG A 114 -2.204 -12.942 -5.086 1.00 1.32 H new ATOM 0 HE ARG A 114 0.183 -13.170 -6.903 1.00 62.31 H new ATOM 0 HH11 ARG A 114 -3.063 -14.228 -5.928 1.00 51.11 H new ATOM 0 HH12 ARG A 114 -3.242 -15.309 -7.314 1.00 51.11 H new ATOM 0 HH21 ARG A 114 -0.118 -14.506 -8.707 1.00 71.53 H new ATOM 0 HH22 ARG A 114 -1.593 -15.464 -8.869 1.00 71.53 H new ATOM 1319 N THR B 75 -5.341 -3.777 -11.200 1.00 0.10 N ATOM 1320 CA THR B 75 -3.947 -4.273 -11.140 1.00 13.11 C ATOM 1321 C THR B 75 -2.959 -3.092 -10.976 1.00 2.00 C ATOM 1322 O THR B 75 -1.792 -3.279 -10.607 1.00 34.14 O ATOM 1323 CB THR B 75 -3.611 -5.126 -12.413 1.00 63.41 C ATOM 1324 OG1 THR B 75 -4.681 -6.047 -12.667 1.00 22.35 O ATOM 1325 CG2 THR B 75 -2.304 -5.932 -12.262 1.00 11.43 C ATOM 0 HA THR B 75 -3.843 -4.920 -10.269 1.00 13.11 H new ATOM 0 HB THR B 75 -3.484 -4.426 -13.239 1.00 63.41 H new ATOM 0 HG1 THR B 75 -5.533 -5.640 -12.404 1.00 22.35 H new ATOM 0 HG21 THR B 75 -2.121 -6.503 -13.172 1.00 11.43 H new ATOM 0 HG22 THR B 75 -1.473 -5.248 -12.090 1.00 11.43 H new ATOM 0 HG23 THR B 75 -2.393 -6.615 -11.417 1.00 11.43 H new ATOM 1333 N ASP B 76 -3.467 -1.877 -11.268 1.00 51.50 N ATOM 1334 CA ASP B 76 -2.782 -0.610 -10.983 1.00 2.21 C ATOM 1335 C ASP B 76 -2.552 -0.479 -9.464 1.00 4.42 C ATOM 1336 O ASP B 76 -1.488 -0.056 -9.025 1.00 40.34 O ATOM 1337 CB ASP B 76 -3.623 0.579 -11.527 1.00 40.11 C ATOM 1338 CG ASP B 76 -2.938 1.949 -11.339 1.00 1.43 C ATOM 1339 OD1 ASP B 76 -1.896 2.193 -11.987 1.00 62.14 O ATOM 1340 OD2 ASP B 76 -3.428 2.780 -10.545 1.00 1.20 O ATOM 0 H ASP B 76 -4.376 -1.752 -11.714 1.00 51.50 H new ATOM 0 HA ASP B 76 -1.813 -0.595 -11.481 1.00 2.21 H new ATOM 0 HB2 ASP B 76 -3.819 0.421 -12.588 1.00 40.11 H new ATOM 0 HB3 ASP B 76 -4.589 0.592 -11.023 1.00 40.11 H new ATOM 1345 N LEU B 77 -3.562 -0.920 -8.686 1.00 54.35 N ATOM 1346 CA LEU B 77 -3.505 -0.989 -7.211 1.00 53.33 C ATOM 1347 C LEU B 77 -2.399 -1.953 -6.734 1.00 63.43 C ATOM 1348 O LEU B 77 -1.679 -1.645 -5.781 1.00 5.43 O ATOM 1349 CB LEU B 77 -4.895 -1.413 -6.662 1.00 20.21 C ATOM 1350 CG LEU B 77 -5.032 -1.613 -5.123 1.00 25.22 C ATOM 1351 CD1 LEU B 77 -4.683 -0.332 -4.346 1.00 0.33 C ATOM 1352 CD2 LEU B 77 -6.446 -2.119 -4.775 1.00 61.02 C ATOM 0 H LEU B 77 -4.451 -1.242 -9.069 1.00 54.35 H new ATOM 0 HA LEU B 77 -3.254 -0.002 -6.822 1.00 53.33 H new ATOM 0 HB2 LEU B 77 -5.621 -0.660 -6.969 1.00 20.21 H new ATOM 0 HB3 LEU B 77 -5.178 -2.346 -7.149 1.00 20.21 H new ATOM 0 HG LEU B 77 -4.311 -2.370 -4.815 1.00 25.22 H new ATOM 0 HD11 LEU B 77 -4.791 -0.514 -3.277 1.00 0.33 H new ATOM 0 HD12 LEU B 77 -3.654 -0.044 -4.563 1.00 0.33 H new ATOM 0 HD13 LEU B 77 -5.356 0.471 -4.647 1.00 0.33 H new ATOM 0 HD21 LEU B 77 -6.529 -2.255 -3.697 1.00 61.02 H new ATOM 0 HD22 LEU B 77 -7.185 -1.390 -5.107 1.00 61.02 H new ATOM 0 HD23 LEU B 77 -6.625 -3.071 -5.275 1.00 61.02 H new ATOM 1364 N LEU B 78 -2.263 -3.102 -7.423 1.00 10.12 N ATOM 1365 CA LEU B 78 -1.192 -4.084 -7.154 1.00 64.33 C ATOM 1366 C LEU B 78 0.191 -3.451 -7.387 1.00 14.22 C ATOM 1367 O LEU B 78 1.129 -3.662 -6.604 1.00 14.12 O ATOM 1368 CB LEU B 78 -1.369 -5.331 -8.066 1.00 41.23 C ATOM 1369 CG LEU B 78 -0.373 -6.504 -7.824 1.00 63.12 C ATOM 1370 CD1 LEU B 78 -0.489 -7.030 -6.388 1.00 65.05 C ATOM 1371 CD2 LEU B 78 -0.567 -7.640 -8.853 1.00 44.52 C ATOM 0 H LEU B 78 -2.890 -3.376 -8.180 1.00 10.12 H new ATOM 0 HA LEU B 78 -1.260 -4.395 -6.111 1.00 64.33 H new ATOM 0 HB2 LEU B 78 -2.383 -5.710 -7.936 1.00 41.23 H new ATOM 0 HB3 LEU B 78 -1.278 -5.012 -9.104 1.00 41.23 H new ATOM 0 HG LEU B 78 0.635 -6.114 -7.962 1.00 63.12 H new ATOM 0 HD11 LEU B 78 0.216 -7.849 -6.242 1.00 65.05 H new ATOM 0 HD12 LEU B 78 -0.262 -6.227 -5.687 1.00 65.05 H new ATOM 0 HD13 LEU B 78 -1.503 -7.389 -6.213 1.00 65.05 H new ATOM 0 HD21 LEU B 78 0.146 -8.439 -8.651 1.00 44.52 H new ATOM 0 HD22 LEU B 78 -1.582 -8.031 -8.777 1.00 44.52 H new ATOM 0 HD23 LEU B 78 -0.402 -7.252 -9.858 1.00 44.52 H new ATOM 1383 N SER B 79 0.274 -2.645 -8.458 1.00 14.35 N ATOM 1384 CA SER B 79 1.492 -1.925 -8.837 1.00 34.02 C ATOM 1385 C SER B 79 1.863 -0.850 -7.792 1.00 22.51 C ATOM 1386 O SER B 79 3.041 -0.638 -7.538 1.00 22.25 O ATOM 1387 CB SER B 79 1.314 -1.284 -10.223 1.00 50.43 C ATOM 1388 OG SER B 79 1.036 -2.256 -11.206 1.00 11.24 O ATOM 0 H SER B 79 -0.511 -2.476 -9.087 1.00 14.35 H new ATOM 0 HA SER B 79 2.310 -2.644 -8.876 1.00 34.02 H new ATOM 0 HB2 SER B 79 0.503 -0.557 -10.188 1.00 50.43 H new ATOM 0 HB3 SER B 79 2.219 -0.739 -10.493 1.00 50.43 H new ATOM 0 HG SER B 79 0.138 -2.621 -11.061 1.00 11.24 H new ATOM 1394 N VAL B 80 0.837 -0.210 -7.185 1.00 11.04 N ATOM 1395 CA VAL B 80 1.021 0.821 -6.133 1.00 60.03 C ATOM 1396 C VAL B 80 1.775 0.242 -4.927 1.00 51.53 C ATOM 1397 O VAL B 80 2.781 0.809 -4.472 1.00 23.33 O ATOM 1398 CB VAL B 80 -0.364 1.398 -5.646 1.00 31.10 C ATOM 1399 CG1 VAL B 80 -0.198 2.344 -4.442 1.00 11.11 C ATOM 1400 CG2 VAL B 80 -1.103 2.107 -6.786 1.00 10.32 C ATOM 0 H VAL B 80 -0.141 -0.392 -7.409 1.00 11.04 H new ATOM 0 HA VAL B 80 1.606 1.628 -6.574 1.00 60.03 H new ATOM 0 HB VAL B 80 -0.966 0.549 -5.322 1.00 31.10 H new ATOM 0 HG11 VAL B 80 -1.175 2.720 -4.137 1.00 11.11 H new ATOM 0 HG12 VAL B 80 0.257 1.802 -3.613 1.00 11.11 H new ATOM 0 HG13 VAL B 80 0.441 3.181 -4.722 1.00 11.11 H new ATOM 0 HG21 VAL B 80 -2.054 2.493 -6.419 1.00 10.32 H new ATOM 0 HG22 VAL B 80 -0.495 2.932 -7.156 1.00 10.32 H new ATOM 0 HG23 VAL B 80 -1.287 1.400 -7.595 1.00 10.32 H new ATOM 1410 N ILE B 81 1.263 -0.902 -4.445 1.00 65.34 N ATOM 1411 CA ILE B 81 1.811 -1.617 -3.289 1.00 52.45 C ATOM 1412 C ILE B 81 3.258 -2.075 -3.590 1.00 14.41 C ATOM 1413 O ILE B 81 4.152 -1.984 -2.743 1.00 42.54 O ATOM 1414 CB ILE B 81 0.911 -2.856 -2.914 1.00 53.40 C ATOM 1415 CG1 ILE B 81 -0.613 -2.483 -2.808 1.00 73.31 C ATOM 1416 CG2 ILE B 81 1.396 -3.496 -1.609 1.00 32.43 C ATOM 1417 CD1 ILE B 81 -0.979 -1.429 -1.764 1.00 31.11 C ATOM 0 H ILE B 81 0.448 -1.359 -4.854 1.00 65.34 H new ATOM 0 HA ILE B 81 1.822 -0.938 -2.437 1.00 52.45 H new ATOM 0 HB ILE B 81 1.008 -3.577 -3.726 1.00 53.40 H new ATOM 0 HG12 ILE B 81 -0.948 -2.130 -3.783 1.00 73.31 H new ATOM 0 HG13 ILE B 81 -1.174 -3.392 -2.588 1.00 73.31 H new ATOM 0 HG21 ILE B 81 0.763 -4.350 -1.365 1.00 32.43 H new ATOM 0 HG22 ILE B 81 2.426 -3.830 -1.729 1.00 32.43 H new ATOM 0 HG23 ILE B 81 1.344 -2.764 -0.803 1.00 32.43 H new ATOM 0 HD11 ILE B 81 -2.055 -1.255 -1.784 1.00 31.11 H new ATOM 0 HD12 ILE B 81 -0.686 -1.780 -0.774 1.00 31.11 H new ATOM 0 HD13 ILE B 81 -0.457 -0.499 -1.988 1.00 31.11 H new ATOM 1429 N GLU B 82 3.459 -2.511 -4.840 1.00 2.11 N ATOM 1430 CA GLU B 82 4.752 -2.997 -5.347 1.00 50.32 C ATOM 1431 C GLU B 82 5.791 -1.848 -5.483 1.00 54.13 C ATOM 1432 O GLU B 82 6.988 -2.061 -5.248 1.00 51.30 O ATOM 1433 CB GLU B 82 4.544 -3.729 -6.699 1.00 74.41 C ATOM 1434 CG GLU B 82 5.738 -4.584 -7.180 1.00 72.12 C ATOM 1435 CD GLU B 82 6.027 -5.802 -6.274 1.00 43.10 C ATOM 1436 OE1 GLU B 82 5.326 -6.830 -6.404 1.00 24.21 O ATOM 1437 OE2 GLU B 82 6.949 -5.736 -5.433 1.00 13.41 O ATOM 0 H GLU B 82 2.717 -2.537 -5.540 1.00 2.11 H new ATOM 0 HA GLU B 82 5.159 -3.702 -4.622 1.00 50.32 H new ATOM 0 HB2 GLU B 82 3.669 -4.373 -6.613 1.00 74.41 H new ATOM 0 HB3 GLU B 82 4.319 -2.986 -7.464 1.00 74.41 H new ATOM 0 HG2 GLU B 82 5.540 -4.934 -8.193 1.00 72.12 H new ATOM 0 HG3 GLU B 82 6.628 -3.957 -7.228 1.00 72.12 H new ATOM 1444 N GLU B 83 5.319 -0.630 -5.843 1.00 22.34 N ATOM 1445 CA GLU B 83 6.194 0.557 -5.962 1.00 14.52 C ATOM 1446 C GLU B 83 6.672 1.002 -4.574 1.00 0.12 C ATOM 1447 O GLU B 83 7.850 1.273 -4.375 1.00 21.21 O ATOM 1448 CB GLU B 83 5.469 1.734 -6.675 1.00 61.32 C ATOM 1449 CG GLU B 83 5.184 1.532 -8.178 1.00 51.24 C ATOM 1450 CD GLU B 83 6.441 1.265 -9.027 1.00 42.13 C ATOM 1451 OE1 GLU B 83 7.179 2.221 -9.345 1.00 21.12 O ATOM 1452 OE2 GLU B 83 6.704 0.096 -9.385 1.00 42.14 O ATOM 0 H GLU B 83 4.338 -0.446 -6.055 1.00 22.34 H new ATOM 0 HA GLU B 83 7.054 0.275 -6.569 1.00 14.52 H new ATOM 0 HB2 GLU B 83 4.523 1.915 -6.166 1.00 61.32 H new ATOM 0 HB3 GLU B 83 6.073 2.634 -6.556 1.00 61.32 H new ATOM 0 HG2 GLU B 83 4.494 0.696 -8.297 1.00 51.24 H new ATOM 0 HG3 GLU B 83 4.680 2.418 -8.563 1.00 51.24 H new ATOM 1459 N MET B 84 5.736 1.049 -3.618 1.00 33.14 N ATOM 1460 CA MET B 84 6.025 1.449 -2.234 1.00 21.21 C ATOM 1461 C MET B 84 7.016 0.482 -1.565 1.00 31.31 C ATOM 1462 O MET B 84 7.911 0.918 -0.838 1.00 15.24 O ATOM 1463 CB MET B 84 4.712 1.525 -1.417 1.00 42.33 C ATOM 1464 CG MET B 84 3.783 2.668 -1.804 1.00 51.52 C ATOM 1465 SD MET B 84 2.378 2.833 -0.676 1.00 10.45 S ATOM 1466 CE MET B 84 1.542 1.259 -0.861 1.00 53.21 C ATOM 0 H MET B 84 4.758 0.811 -3.781 1.00 33.14 H new ATOM 0 HA MET B 84 6.488 2.435 -2.258 1.00 21.21 H new ATOM 0 HB2 MET B 84 4.174 0.584 -1.532 1.00 42.33 H new ATOM 0 HB3 MET B 84 4.963 1.622 -0.361 1.00 42.33 H new ATOM 0 HG2 MET B 84 4.346 3.601 -1.816 1.00 51.52 H new ATOM 0 HG3 MET B 84 3.414 2.505 -2.817 1.00 51.52 H new ATOM 0 HE1 MET B 84 0.590 1.288 -0.331 1.00 53.21 H new ATOM 0 HE2 MET B 84 1.363 1.064 -1.918 1.00 53.21 H new ATOM 0 HE3 MET B 84 2.164 0.466 -0.446 1.00 53.21 H new ATOM 1476 N GLY B 85 6.849 -0.820 -1.861 1.00 22.52 N ATOM 1477 CA GLY B 85 7.630 -1.894 -1.243 1.00 34.10 C ATOM 1478 C GLY B 85 9.141 -1.748 -1.391 1.00 11.44 C ATOM 1479 O GLY B 85 9.903 -2.093 -0.476 1.00 23.11 O ATOM 0 H GLY B 85 6.164 -1.153 -2.540 1.00 22.52 H new ATOM 0 HA2 GLY B 85 7.385 -1.939 -0.182 1.00 34.10 H new ATOM 0 HA3 GLY B 85 7.326 -2.845 -1.681 1.00 34.10 H new ATOM 1483 N LYS B 86 9.574 -1.229 -2.545 1.00 5.44 N ATOM 1484 CA LYS B 86 11.004 -1.037 -2.852 1.00 12.53 C ATOM 1485 C LYS B 86 11.474 0.340 -2.332 1.00 30.32 C ATOM 1486 O LYS B 86 12.639 0.512 -1.962 1.00 14.24 O ATOM 1487 CB LYS B 86 11.239 -1.166 -4.387 1.00 50.25 C ATOM 1488 CG LYS B 86 10.513 -0.096 -5.213 1.00 33.40 C ATOM 1489 CD LYS B 86 10.571 -0.317 -6.738 1.00 12.25 C ATOM 1490 CE LYS B 86 9.800 0.787 -7.491 1.00 42.41 C ATOM 1491 NZ LYS B 86 9.665 0.518 -8.953 1.00 41.12 N ATOM 0 H LYS B 86 8.949 -0.930 -3.293 1.00 5.44 H new ATOM 0 HA LYS B 86 11.589 -1.808 -2.351 1.00 12.53 H new ATOM 0 HB2 LYS B 86 12.308 -1.105 -4.589 1.00 50.25 H new ATOM 0 HB3 LYS B 86 10.909 -2.152 -4.715 1.00 50.25 H new ATOM 0 HG2 LYS B 86 9.469 -0.062 -4.903 1.00 33.40 H new ATOM 0 HG3 LYS B 86 10.945 0.878 -4.983 1.00 33.40 H new ATOM 0 HD2 LYS B 86 11.610 -0.328 -7.067 1.00 12.25 H new ATOM 0 HD3 LYS B 86 10.149 -1.291 -6.983 1.00 12.25 H new ATOM 0 HE2 LYS B 86 8.807 0.890 -7.054 1.00 42.41 H new ATOM 0 HE3 LYS B 86 10.311 1.739 -7.349 1.00 42.41 H new ATOM 0 HZ1 LYS B 86 9.779 1.407 -9.481 1.00 41.12 H new ATOM 0 HZ2 LYS B 86 10.397 -0.158 -9.251 1.00 41.12 H new ATOM 0 HZ3 LYS B 86 8.725 0.118 -9.147 1.00 41.12 H new ATOM 1505 N GLU B 87 10.530 1.314 -2.285 1.00 33.02 N ATOM 1506 CA GLU B 87 10.817 2.726 -1.932 1.00 62.40 C ATOM 1507 C GLU B 87 10.766 2.981 -0.402 1.00 42.21 C ATOM 1508 O GLU B 87 10.949 4.118 0.037 1.00 44.31 O ATOM 1509 CB GLU B 87 9.855 3.681 -2.711 1.00 14.14 C ATOM 1510 CG GLU B 87 9.994 3.568 -4.246 1.00 14.14 C ATOM 1511 CD GLU B 87 9.133 4.568 -5.036 1.00 23.02 C ATOM 1512 OE1 GLU B 87 7.917 4.332 -5.178 1.00 23.25 O ATOM 1513 OE2 GLU B 87 9.672 5.587 -5.538 1.00 3.31 O ATOM 0 H GLU B 87 9.546 1.141 -2.492 1.00 33.02 H new ATOM 0 HA GLU B 87 11.841 2.941 -2.236 1.00 62.40 H new ATOM 0 HB2 GLU B 87 8.826 3.458 -2.429 1.00 14.14 H new ATOM 0 HB3 GLU B 87 10.053 4.710 -2.410 1.00 14.14 H new ATOM 0 HG2 GLU B 87 11.040 3.715 -4.516 1.00 14.14 H new ATOM 0 HG3 GLU B 87 9.725 2.556 -4.550 1.00 14.14 H new ATOM 1520 N ILE B 88 10.532 1.917 0.390 1.00 61.33 N ATOM 1521 CA ILE B 88 10.694 1.948 1.864 1.00 21.11 C ATOM 1522 C ILE B 88 12.175 2.221 2.256 1.00 24.13 C ATOM 1523 O ILE B 88 12.434 2.977 3.191 1.00 44.31 O ATOM 1524 CB ILE B 88 10.205 0.600 2.525 1.00 72.44 C ATOM 1525 CG1 ILE B 88 8.712 0.333 2.179 1.00 75.21 C ATOM 1526 CG2 ILE B 88 10.435 0.573 4.061 1.00 43.15 C ATOM 1527 CD1 ILE B 88 8.178 -0.971 2.722 1.00 43.44 C ATOM 0 H ILE B 88 10.226 1.012 0.031 1.00 61.33 H new ATOM 0 HA ILE B 88 10.074 2.762 2.240 1.00 21.11 H new ATOM 0 HB ILE B 88 10.811 -0.203 2.105 1.00 72.44 H new ATOM 0 HG12 ILE B 88 8.107 1.152 2.569 1.00 75.21 H new ATOM 0 HG13 ILE B 88 8.594 0.339 1.095 1.00 75.21 H new ATOM 0 HG21 ILE B 88 10.081 -0.375 4.465 1.00 43.15 H new ATOM 0 HG22 ILE B 88 11.499 0.683 4.272 1.00 43.15 H new ATOM 0 HG23 ILE B 88 9.886 1.392 4.525 1.00 43.15 H new ATOM 0 HD11 ILE B 88 7.132 -1.082 2.438 1.00 43.44 H new ATOM 0 HD12 ILE B 88 8.756 -1.800 2.312 1.00 43.44 H new ATOM 0 HD13 ILE B 88 8.261 -0.974 3.809 1.00 43.44 H new ATOM 1539 N ARG B 89 13.130 1.609 1.515 1.00 65.33 N ATOM 1540 CA ARG B 89 14.582 1.719 1.815 1.00 44.53 C ATOM 1541 C ARG B 89 15.116 3.180 1.679 1.00 12.34 C ATOM 1542 O ARG B 89 15.724 3.680 2.638 1.00 12.02 O ATOM 1543 CB ARG B 89 15.419 0.706 0.965 1.00 1.41 C ATOM 1544 CG ARG B 89 16.961 0.785 1.160 1.00 32.41 C ATOM 1545 CD ARG B 89 17.390 0.583 2.627 1.00 72.35 C ATOM 1546 NE ARG B 89 18.853 0.623 2.823 1.00 20.21 N ATOM 1547 CZ ARG B 89 19.470 0.520 4.022 1.00 22.20 C ATOM 1548 NH1 ARG B 89 18.757 0.367 5.151 1.00 61.31 N ATOM 1549 NH2 ARG B 89 20.801 0.542 4.089 1.00 64.44 N ATOM 0 H ARG B 89 12.921 1.031 0.701 1.00 65.33 H new ATOM 0 HA ARG B 89 14.708 1.449 2.863 1.00 44.53 H new ATOM 0 HB2 ARG B 89 15.090 -0.305 1.208 1.00 1.41 H new ATOM 0 HB3 ARG B 89 15.194 0.870 -0.089 1.00 1.41 H new ATOM 0 HG2 ARG B 89 17.440 0.028 0.539 1.00 32.41 H new ATOM 0 HG3 ARG B 89 17.317 1.755 0.813 1.00 32.41 H new ATOM 0 HD2 ARG B 89 16.928 1.355 3.242 1.00 72.35 H new ATOM 0 HD3 ARG B 89 17.010 -0.376 2.980 1.00 72.35 H new ATOM 0 HE ARG B 89 19.439 0.736 1.996 1.00 20.21 H new ATOM 0 HH11 ARG B 89 17.739 0.327 5.110 1.00 61.31 H new ATOM 0 HH12 ARG B 89 19.234 0.290 6.049 1.00 61.31 H new ATOM 0 HH21 ARG B 89 21.353 0.636 3.237 1.00 64.44 H new ATOM 0 HH22 ARG B 89 21.267 0.464 4.993 1.00 64.44 H new ATOM 1563 N PRO B 90 14.935 3.905 0.511 1.00 44.43 N ATOM 1564 CA PRO B 90 15.397 5.312 0.400 1.00 4.32 C ATOM 1565 C PRO B 90 14.670 6.271 1.387 1.00 11.14 C ATOM 1566 O PRO B 90 15.290 7.217 1.890 1.00 11.14 O ATOM 1567 CB PRO B 90 15.158 5.655 -1.091 1.00 65.45 C ATOM 1568 CG PRO B 90 14.098 4.704 -1.544 1.00 45.14 C ATOM 1569 CD PRO B 90 14.349 3.428 -0.777 1.00 34.33 C ATOM 0 HA PRO B 90 16.442 5.435 0.685 1.00 4.32 H new ATOM 0 HB2 PRO B 90 14.837 6.690 -1.211 1.00 65.45 H new ATOM 0 HB3 PRO B 90 16.071 5.535 -1.674 1.00 65.45 H new ATOM 0 HG2 PRO B 90 13.103 5.097 -1.337 1.00 45.14 H new ATOM 0 HG3 PRO B 90 14.156 4.534 -2.619 1.00 45.14 H new ATOM 0 HD2 PRO B 90 13.427 2.869 -0.616 1.00 34.33 H new ATOM 0 HD3 PRO B 90 15.034 2.768 -1.309 1.00 34.33 H new ATOM 1577 N THR B 91 13.376 6.004 1.683 1.00 74.30 N ATOM 1578 CA THR B 91 12.620 6.733 2.736 1.00 31.50 C ATOM 1579 C THR B 91 13.290 6.549 4.116 1.00 53.12 C ATOM 1580 O THR B 91 13.531 7.518 4.847 1.00 2.32 O ATOM 1581 CB THR B 91 11.144 6.230 2.798 1.00 51.44 C ATOM 1582 OG1 THR B 91 10.510 6.488 1.543 1.00 3.12 O ATOM 1583 CG2 THR B 91 10.324 6.892 3.923 1.00 30.13 C ATOM 0 H THR B 91 12.830 5.286 1.207 1.00 74.30 H new ATOM 0 HA THR B 91 12.624 7.793 2.480 1.00 31.50 H new ATOM 0 HB THR B 91 11.178 5.162 3.013 1.00 51.44 H new ATOM 0 HG1 THR B 91 10.618 5.711 0.956 1.00 3.12 H new ATOM 0 HG21 THR B 91 9.307 6.499 3.912 1.00 30.13 H new ATOM 0 HG22 THR B 91 10.786 6.675 4.886 1.00 30.13 H new ATOM 0 HG23 THR B 91 10.298 7.971 3.768 1.00 30.13 H new ATOM 1591 N TYR B 92 13.608 5.278 4.421 1.00 3.23 N ATOM 1592 CA TYR B 92 14.293 4.855 5.652 1.00 44.12 C ATOM 1593 C TYR B 92 15.675 5.530 5.785 1.00 60.10 C ATOM 1594 O TYR B 92 16.176 5.727 6.897 1.00 70.24 O ATOM 1595 CB TYR B 92 14.421 3.296 5.675 1.00 12.21 C ATOM 1596 CG TYR B 92 14.995 2.733 6.979 1.00 52.13 C ATOM 1597 CD1 TYR B 92 14.231 2.724 8.143 1.00 33.31 C ATOM 1598 CD2 TYR B 92 16.309 2.261 7.064 1.00 62.22 C ATOM 1599 CE1 TYR B 92 14.740 2.264 9.331 1.00 53.01 C ATOM 1600 CE2 TYR B 92 16.826 1.807 8.261 1.00 5.55 C ATOM 1601 CZ TYR B 92 16.037 1.815 9.393 1.00 13.40 C ATOM 1602 OH TYR B 92 16.548 1.378 10.595 1.00 13.23 O ATOM 0 H TYR B 92 13.389 4.498 3.801 1.00 3.23 H new ATOM 0 HA TYR B 92 13.698 5.171 6.509 1.00 44.12 H new ATOM 0 HB2 TYR B 92 13.437 2.859 5.506 1.00 12.21 H new ATOM 0 HB3 TYR B 92 15.056 2.982 4.846 1.00 12.21 H new ATOM 0 HD1 TYR B 92 13.215 3.087 8.110 1.00 33.31 H new ATOM 0 HD2 TYR B 92 16.929 2.252 6.180 1.00 62.22 H new ATOM 0 HE1 TYR B 92 14.122 2.255 10.217 1.00 53.01 H new ATOM 0 HE2 TYR B 92 17.843 1.447 8.311 1.00 5.55 H new ATOM 0 HH TYR B 92 16.267 1.986 11.310 1.00 13.23 H new ATOM 1612 N ALA B 93 16.270 5.907 4.637 1.00 31.53 N ATOM 1613 CA ALA B 93 17.582 6.568 4.579 1.00 22.42 C ATOM 1614 C ALA B 93 17.465 8.100 4.738 1.00 71.25 C ATOM 1615 O ALA B 93 18.449 8.824 4.549 1.00 51.14 O ATOM 1616 CB ALA B 93 18.263 6.207 3.255 1.00 72.34 C ATOM 0 H ALA B 93 15.849 5.759 3.720 1.00 31.53 H new ATOM 0 HA ALA B 93 18.187 6.214 5.413 1.00 22.42 H new ATOM 0 HB1 ALA B 93 19.237 6.693 3.203 1.00 72.34 H new ATOM 0 HB2 ALA B 93 18.393 5.126 3.195 1.00 72.34 H new ATOM 0 HB3 ALA B 93 17.644 6.545 2.424 1.00 72.34 H new ATOM 1622 N GLY B 94 16.264 8.585 5.108 1.00 54.23 N ATOM 1623 CA GLY B 94 16.019 10.014 5.314 1.00 73.22 C ATOM 1624 C GLY B 94 15.865 10.836 4.031 1.00 30.35 C ATOM 1625 O GLY B 94 16.029 12.062 4.070 1.00 22.31 O ATOM 0 H GLY B 94 15.446 7.997 5.270 1.00 54.23 H new ATOM 0 HA2 GLY B 94 15.115 10.130 5.912 1.00 73.22 H new ATOM 0 HA3 GLY B 94 16.842 10.428 5.896 1.00 73.22 H new ATOM 1629 N SER B 95 15.566 10.180 2.895 1.00 22.10 N ATOM 1630 CA SER B 95 15.267 10.873 1.622 1.00 45.31 C ATOM 1631 C SER B 95 13.774 11.286 1.559 1.00 75.53 C ATOM 1632 O SER B 95 12.896 10.418 1.475 1.00 54.14 O ATOM 1633 CB SER B 95 15.622 9.958 0.431 1.00 3.23 C ATOM 1634 OG SER B 95 16.948 9.451 0.530 1.00 2.01 O ATOM 0 H SER B 95 15.524 9.163 2.830 1.00 22.10 H new ATOM 0 HA SER B 95 15.872 11.778 1.568 1.00 45.31 H new ATOM 0 HB2 SER B 95 14.918 9.127 0.389 1.00 3.23 H new ATOM 0 HB3 SER B 95 15.515 10.515 -0.500 1.00 3.23 H new ATOM 0 HG SER B 95 16.933 8.582 0.983 1.00 2.01 H new ATOM 1640 N LYS B 96 13.505 12.613 1.648 1.00 42.15 N ATOM 1641 CA LYS B 96 12.132 13.181 1.650 1.00 31.21 C ATOM 1642 C LYS B 96 11.412 13.007 0.298 1.00 44.20 C ATOM 1643 O LYS B 96 10.181 12.972 0.265 1.00 62.30 O ATOM 1644 CB LYS B 96 12.145 14.683 2.058 1.00 14.12 C ATOM 1645 CG LYS B 96 12.870 15.630 1.065 1.00 11.14 C ATOM 1646 CD LYS B 96 12.756 17.127 1.451 1.00 40.42 C ATOM 1647 CE LYS B 96 13.465 17.465 2.768 1.00 33.41 C ATOM 1648 NZ LYS B 96 14.941 17.288 2.675 1.00 2.21 N ATOM 0 H LYS B 96 14.236 13.321 1.721 1.00 42.15 H new ATOM 0 HA LYS B 96 11.571 12.614 2.393 1.00 31.21 H new ATOM 0 HB2 LYS B 96 11.115 15.021 2.172 1.00 14.12 H new ATOM 0 HB3 LYS B 96 12.620 14.774 3.035 1.00 14.12 H new ATOM 0 HG2 LYS B 96 13.923 15.354 1.014 1.00 11.14 H new ATOM 0 HG3 LYS B 96 12.454 15.486 0.068 1.00 11.14 H new ATOM 0 HD2 LYS B 96 13.179 17.735 0.651 1.00 40.42 H new ATOM 0 HD3 LYS B 96 11.703 17.396 1.533 1.00 40.42 H new ATOM 0 HE2 LYS B 96 13.241 18.495 3.045 1.00 33.41 H new ATOM 0 HE3 LYS B 96 13.074 16.829 3.562 1.00 33.41 H new ATOM 0 HZ1 LYS B 96 15.387 17.624 3.553 1.00 2.21 H new ATOM 0 HZ2 LYS B 96 15.162 16.281 2.538 1.00 2.21 H new ATOM 0 HZ3 LYS B 96 15.306 17.836 1.870 1.00 2.21 H new ATOM 1662 N SER B 97 12.177 12.913 -0.808 1.00 23.03 N ATOM 1663 CA SER B 97 11.604 12.668 -2.147 1.00 70.03 C ATOM 1664 C SER B 97 11.021 11.240 -2.229 1.00 45.45 C ATOM 1665 O SER B 97 9.910 11.038 -2.738 1.00 43.33 O ATOM 1666 CB SER B 97 12.666 12.907 -3.247 1.00 24.21 C ATOM 1667 OG SER B 97 13.185 14.229 -3.186 1.00 74.34 O ATOM 0 H SER B 97 13.193 13.003 -0.800 1.00 23.03 H new ATOM 0 HA SER B 97 10.790 13.374 -2.314 1.00 70.03 H new ATOM 0 HB2 SER B 97 13.479 12.190 -3.133 1.00 24.21 H new ATOM 0 HB3 SER B 97 12.223 12.733 -4.227 1.00 24.21 H new ATOM 0 HG SER B 97 13.855 14.350 -3.891 1.00 74.34 H new ATOM 1673 N ALA B 98 11.787 10.267 -1.710 1.00 54.45 N ATOM 1674 CA ALA B 98 11.345 8.874 -1.573 1.00 74.21 C ATOM 1675 C ALA B 98 10.193 8.747 -0.576 1.00 24.11 C ATOM 1676 O ALA B 98 9.275 7.947 -0.788 1.00 55.11 O ATOM 1677 CB ALA B 98 12.515 8.001 -1.146 1.00 60.55 C ATOM 0 H ALA B 98 12.736 10.428 -1.372 1.00 54.45 H new ATOM 0 HA ALA B 98 10.979 8.537 -2.543 1.00 74.21 H new ATOM 0 HB1 ALA B 98 12.181 6.968 -1.046 1.00 60.55 H new ATOM 0 HB2 ALA B 98 13.303 8.056 -1.897 1.00 60.55 H new ATOM 0 HB3 ALA B 98 12.901 8.352 -0.189 1.00 60.55 H new ATOM 1683 N MET B 99 10.254 9.540 0.515 1.00 22.14 N ATOM 1684 CA MET B 99 9.178 9.598 1.513 1.00 54.41 C ATOM 1685 C MET B 99 7.885 10.088 0.865 1.00 42.54 C ATOM 1686 O MET B 99 6.819 9.553 1.132 1.00 11.11 O ATOM 1687 CB MET B 99 9.567 10.515 2.702 1.00 63.51 C ATOM 1688 CG MET B 99 8.497 10.613 3.799 1.00 61.34 C ATOM 1689 SD MET B 99 8.959 11.673 5.190 1.00 33.44 S ATOM 1690 CE MET B 99 9.172 13.278 4.420 1.00 33.40 C ATOM 0 H MET B 99 11.044 10.150 0.723 1.00 22.14 H new ATOM 0 HA MET B 99 9.020 8.592 1.902 1.00 54.41 H new ATOM 0 HB2 MET B 99 10.492 10.144 3.144 1.00 63.51 H new ATOM 0 HB3 MET B 99 9.774 11.515 2.322 1.00 63.51 H new ATOM 0 HG2 MET B 99 7.574 10.991 3.359 1.00 61.34 H new ATOM 0 HG3 MET B 99 8.284 9.612 4.174 1.00 61.34 H new ATOM 0 HE1 MET B 99 8.911 14.061 5.132 1.00 33.40 H new ATOM 0 HE2 MET B 99 10.211 13.399 4.112 1.00 33.40 H new ATOM 0 HE3 MET B 99 8.524 13.352 3.547 1.00 33.40 H new ATOM 1700 N GLU B 100 8.022 11.074 -0.031 1.00 34.22 N ATOM 1701 CA GLU B 100 6.895 11.671 -0.749 1.00 43.53 C ATOM 1702 C GLU B 100 6.307 10.672 -1.777 1.00 71.42 C ATOM 1703 O GLU B 100 5.122 10.720 -2.077 1.00 52.21 O ATOM 1704 CB GLU B 100 7.353 12.974 -1.453 1.00 61.34 C ATOM 1705 CG GLU B 100 6.208 13.881 -1.943 1.00 21.43 C ATOM 1706 CD GLU B 100 5.327 14.420 -0.790 1.00 22.21 C ATOM 1707 OE1 GLU B 100 5.783 15.292 -0.027 1.00 72.04 O ATOM 1708 OE2 GLU B 100 4.178 13.962 -0.626 1.00 22.24 O ATOM 0 H GLU B 100 8.924 11.480 -0.278 1.00 34.22 H new ATOM 0 HA GLU B 100 6.111 11.914 -0.032 1.00 43.53 H new ATOM 0 HB2 GLU B 100 7.978 13.542 -0.764 1.00 61.34 H new ATOM 0 HB3 GLU B 100 7.978 12.709 -2.306 1.00 61.34 H new ATOM 0 HG2 GLU B 100 6.629 14.722 -2.495 1.00 21.43 H new ATOM 0 HG3 GLU B 100 5.583 13.323 -2.640 1.00 21.43 H new ATOM 1715 N ARG B 101 7.161 9.775 -2.309 1.00 15.30 N ATOM 1716 CA ARG B 101 6.753 8.682 -3.226 1.00 31.43 C ATOM 1717 C ARG B 101 6.072 7.529 -2.465 1.00 51.33 C ATOM 1718 O ARG B 101 5.195 6.844 -3.007 1.00 14.55 O ATOM 1719 CB ARG B 101 7.997 8.165 -4.012 1.00 45.41 C ATOM 1720 CG ARG B 101 8.222 8.836 -5.381 1.00 51.11 C ATOM 1721 CD ARG B 101 7.117 8.483 -6.391 1.00 20.21 C ATOM 1722 NE ARG B 101 6.927 7.023 -6.483 1.00 52.22 N ATOM 1723 CZ ARG B 101 5.883 6.398 -7.049 1.00 1.45 C ATOM 1724 NH1 ARG B 101 4.893 7.082 -7.615 1.00 15.02 N ATOM 1725 NH2 ARG B 101 5.838 5.073 -7.051 1.00 32.44 N ATOM 0 H ARG B 101 8.162 9.785 -2.115 1.00 15.30 H new ATOM 0 HA ARG B 101 6.023 9.080 -3.931 1.00 31.43 H new ATOM 0 HB2 ARG B 101 8.885 8.316 -3.399 1.00 45.41 H new ATOM 0 HB3 ARG B 101 7.893 7.090 -4.163 1.00 45.41 H new ATOM 0 HG2 ARG B 101 8.261 9.918 -5.251 1.00 51.11 H new ATOM 0 HG3 ARG B 101 9.188 8.528 -5.780 1.00 51.11 H new ATOM 0 HD2 ARG B 101 6.182 8.956 -6.091 1.00 20.21 H new ATOM 0 HD3 ARG B 101 7.376 8.881 -7.372 1.00 20.21 H new ATOM 0 HE ARG B 101 7.656 6.435 -6.079 1.00 52.22 H new ATOM 0 HH11 ARG B 101 4.918 8.102 -7.625 1.00 15.02 H new ATOM 0 HH12 ARG B 101 4.109 6.587 -8.040 1.00 15.02 H new ATOM 0 HH21 ARG B 101 6.593 4.536 -6.624 1.00 32.44 H new ATOM 0 HH22 ARG B 101 5.048 4.590 -7.479 1.00 32.44 H new ATOM 1739 N LEU B 102 6.488 7.332 -1.208 1.00 42.33 N ATOM 1740 CA LEU B 102 5.907 6.317 -0.317 1.00 71.32 C ATOM 1741 C LEU B 102 4.516 6.805 0.153 1.00 34.34 C ATOM 1742 O LEU B 102 3.566 6.024 0.240 1.00 71.32 O ATOM 1743 CB LEU B 102 6.878 6.054 0.870 1.00 5.04 C ATOM 1744 CG LEU B 102 6.534 4.870 1.828 1.00 54.21 C ATOM 1745 CD1 LEU B 102 6.430 3.531 1.079 1.00 55.22 C ATOM 1746 CD2 LEU B 102 7.575 4.769 2.953 1.00 63.43 C ATOM 0 H LEU B 102 7.239 7.873 -0.778 1.00 42.33 H new ATOM 0 HA LEU B 102 5.771 5.370 -0.839 1.00 71.32 H new ATOM 0 HB2 LEU B 102 7.872 5.878 0.460 1.00 5.04 H new ATOM 0 HB3 LEU B 102 6.936 6.965 1.466 1.00 5.04 H new ATOM 0 HG LEU B 102 5.556 5.080 2.262 1.00 54.21 H new ATOM 0 HD11 LEU B 102 6.189 2.737 1.786 1.00 55.22 H new ATOM 0 HD12 LEU B 102 5.646 3.596 0.325 1.00 55.22 H new ATOM 0 HD13 LEU B 102 7.381 3.310 0.595 1.00 55.22 H new ATOM 0 HD21 LEU B 102 7.320 3.939 3.611 1.00 63.43 H new ATOM 0 HD22 LEU B 102 8.562 4.600 2.522 1.00 63.43 H new ATOM 0 HD23 LEU B 102 7.583 5.697 3.525 1.00 63.43 H new ATOM 1758 N LYS B 103 4.425 8.130 0.421 1.00 24.33 N ATOM 1759 CA LYS B 103 3.153 8.847 0.645 1.00 51.03 C ATOM 1760 C LYS B 103 2.263 8.786 -0.608 1.00 14.32 C ATOM 1761 O LYS B 103 1.051 8.578 -0.507 1.00 44.11 O ATOM 1762 CB LYS B 103 3.435 10.332 1.006 1.00 42.11 C ATOM 1763 CG LYS B 103 4.145 10.563 2.363 1.00 24.40 C ATOM 1764 CD LYS B 103 4.588 12.042 2.548 1.00 23.12 C ATOM 1765 CE LYS B 103 3.406 13.026 2.541 1.00 63.13 C ATOM 1766 NZ LYS B 103 3.844 14.446 2.395 1.00 51.25 N ATOM 0 H LYS B 103 5.244 8.735 0.488 1.00 24.33 H new ATOM 0 HA LYS B 103 2.631 8.363 1.470 1.00 51.03 H new ATOM 0 HB2 LYS B 103 4.046 10.770 0.217 1.00 42.11 H new ATOM 0 HB3 LYS B 103 2.488 10.872 1.014 1.00 42.11 H new ATOM 0 HG2 LYS B 103 3.474 10.282 3.175 1.00 24.40 H new ATOM 0 HG3 LYS B 103 5.017 9.913 2.430 1.00 24.40 H new ATOM 0 HD2 LYS B 103 5.129 12.139 3.489 1.00 23.12 H new ATOM 0 HD3 LYS B 103 5.282 12.310 1.752 1.00 23.12 H new ATOM 0 HE2 LYS B 103 2.731 12.772 1.724 1.00 63.13 H new ATOM 0 HE3 LYS B 103 2.841 12.917 3.467 1.00 63.13 H new ATOM 0 HZ1 LYS B 103 3.195 15.065 2.921 1.00 51.25 H new ATOM 0 HZ2 LYS B 103 4.807 14.553 2.772 1.00 51.25 H new ATOM 0 HZ3 LYS B 103 3.835 14.710 1.389 1.00 51.25 H new ATOM 1780 N ARG B 104 2.897 8.975 -1.783 1.00 1.13 N ATOM 1781 CA ARG B 104 2.213 8.952 -3.089 1.00 53.22 C ATOM 1782 C ARG B 104 1.481 7.624 -3.302 1.00 72.15 C ATOM 1783 O ARG B 104 0.416 7.585 -3.925 1.00 32.34 O ATOM 1784 CB ARG B 104 3.232 9.183 -4.231 1.00 53.43 C ATOM 1785 CG ARG B 104 2.616 9.356 -5.629 1.00 14.40 C ATOM 1786 CD ARG B 104 1.709 10.592 -5.715 1.00 21.14 C ATOM 1787 NE ARG B 104 1.091 10.733 -7.041 1.00 64.50 N ATOM 1788 CZ ARG B 104 0.822 11.897 -7.657 1.00 53.42 C ATOM 1789 NH1 ARG B 104 1.125 13.069 -7.097 1.00 25.41 N ATOM 1790 NH2 ARG B 104 0.230 11.882 -8.834 1.00 33.40 N ATOM 0 H ARG B 104 3.900 9.148 -1.852 1.00 1.13 H new ATOM 0 HA ARG B 104 1.476 9.755 -3.099 1.00 53.22 H new ATOM 0 HB2 ARG B 104 3.821 10.070 -3.998 1.00 53.43 H new ATOM 0 HB3 ARG B 104 3.923 8.340 -4.257 1.00 53.43 H new ATOM 0 HG2 ARG B 104 3.413 9.441 -6.367 1.00 14.40 H new ATOM 0 HG3 ARG B 104 2.040 8.466 -5.883 1.00 14.40 H new ATOM 0 HD2 ARG B 104 0.929 10.522 -4.957 1.00 21.14 H new ATOM 0 HD3 ARG B 104 2.292 11.485 -5.490 1.00 21.14 H new ATOM 0 HE ARG B 104 0.846 9.875 -7.535 1.00 64.50 H new ATOM 0 HH11 ARG B 104 1.571 13.096 -6.180 1.00 25.41 H new ATOM 0 HH12 ARG B 104 0.910 13.938 -7.585 1.00 25.41 H new ATOM 0 HH21 ARG B 104 -0.019 10.993 -9.268 1.00 33.40 H new ATOM 0 HH22 ARG B 104 0.021 12.759 -9.311 1.00 33.40 H new ATOM 1804 N GLY B 105 2.079 6.555 -2.761 1.00 24.30 N ATOM 1805 CA GLY B 105 1.471 5.245 -2.760 1.00 32.20 C ATOM 1806 C GLY B 105 0.175 5.180 -1.970 1.00 24.54 C ATOM 1807 O GLY B 105 -0.795 4.609 -2.445 1.00 71.30 O ATOM 0 H GLY B 105 2.996 6.588 -2.316 1.00 24.30 H new ATOM 0 HA2 GLY B 105 1.276 4.943 -3.789 1.00 32.20 H new ATOM 0 HA3 GLY B 105 2.177 4.526 -2.345 1.00 32.20 H new ATOM 1811 N ILE B 106 0.143 5.780 -0.772 1.00 70.24 N ATOM 1812 CA ILE B 106 -1.078 5.788 0.055 1.00 40.24 C ATOM 1813 C ILE B 106 -2.179 6.664 -0.592 1.00 24.41 C ATOM 1814 O ILE B 106 -3.342 6.282 -0.569 1.00 35.34 O ATOM 1815 CB ILE B 106 -0.793 6.203 1.558 1.00 74.24 C ATOM 1816 CG1 ILE B 106 -0.187 5.017 2.375 1.00 30.44 C ATOM 1817 CG2 ILE B 106 -2.063 6.724 2.286 1.00 42.51 C ATOM 1818 CD1 ILE B 106 1.143 4.474 1.915 1.00 24.21 C ATOM 0 H ILE B 106 0.939 6.262 -0.354 1.00 70.24 H new ATOM 0 HA ILE B 106 -1.448 4.763 0.093 1.00 40.24 H new ATOM 0 HB ILE B 106 -0.070 7.017 1.507 1.00 74.24 H new ATOM 0 HG12 ILE B 106 -0.081 5.339 3.411 1.00 30.44 H new ATOM 0 HG13 ILE B 106 -0.907 4.199 2.368 1.00 30.44 H new ATOM 0 HG21 ILE B 106 -1.810 6.994 3.311 1.00 42.51 H new ATOM 0 HG22 ILE B 106 -2.447 7.601 1.765 1.00 42.51 H new ATOM 0 HG23 ILE B 106 -2.824 5.944 2.294 1.00 42.51 H new ATOM 0 HD11 ILE B 106 1.448 3.656 2.568 1.00 24.21 H new ATOM 0 HD12 ILE B 106 1.052 4.107 0.893 1.00 24.21 H new ATOM 0 HD13 ILE B 106 1.891 5.266 1.952 1.00 24.21 H new ATOM 1830 N ILE B 107 -1.788 7.800 -1.210 1.00 34.55 N ATOM 1831 CA ILE B 107 -2.728 8.691 -1.944 1.00 43.32 C ATOM 1832 C ILE B 107 -3.393 7.922 -3.108 1.00 44.10 C ATOM 1833 O ILE B 107 -4.622 7.943 -3.289 1.00 1.05 O ATOM 1834 CB ILE B 107 -1.987 9.960 -2.513 1.00 11.32 C ATOM 1835 CG1 ILE B 107 -1.315 10.761 -1.361 1.00 1.43 C ATOM 1836 CG2 ILE B 107 -2.953 10.863 -3.322 1.00 25.10 C ATOM 1837 CD1 ILE B 107 -0.492 11.950 -1.811 1.00 53.42 C ATOM 0 H ILE B 107 -0.822 8.128 -1.218 1.00 34.55 H new ATOM 0 HA ILE B 107 -3.490 9.021 -1.239 1.00 43.32 H new ATOM 0 HB ILE B 107 -1.209 9.616 -3.195 1.00 11.32 H new ATOM 0 HG12 ILE B 107 -2.091 11.111 -0.680 1.00 1.43 H new ATOM 0 HG13 ILE B 107 -0.673 10.086 -0.794 1.00 1.43 H new ATOM 0 HG21 ILE B 107 -2.410 11.729 -3.700 1.00 25.10 H new ATOM 0 HG22 ILE B 107 -3.364 10.298 -4.159 1.00 25.10 H new ATOM 0 HG23 ILE B 107 -3.765 11.197 -2.676 1.00 25.10 H new ATOM 0 HD11 ILE B 107 -0.063 12.446 -0.940 1.00 53.42 H new ATOM 0 HD12 ILE B 107 0.310 11.610 -2.467 1.00 53.42 H new ATOM 0 HD13 ILE B 107 -1.129 12.651 -2.350 1.00 53.42 H new ATOM 1849 N HIS B 108 -2.526 7.220 -3.853 1.00 71.24 N ATOM 1850 CA HIS B 108 -2.884 6.439 -5.043 1.00 41.21 C ATOM 1851 C HIS B 108 -3.818 5.274 -4.647 1.00 42.33 C ATOM 1852 O HIS B 108 -4.917 5.146 -5.181 1.00 70.32 O ATOM 1853 CB HIS B 108 -1.578 5.931 -5.735 1.00 43.22 C ATOM 1854 CG HIS B 108 -1.693 5.562 -7.192 1.00 20.01 C ATOM 1855 ND1 HIS B 108 -0.591 5.246 -7.959 1.00 53.43 N ATOM 1856 CD2 HIS B 108 -2.758 5.465 -8.021 1.00 42.21 C ATOM 1857 CE1 HIS B 108 -0.975 4.973 -9.189 1.00 73.00 C ATOM 1858 NE2 HIS B 108 -2.283 5.099 -9.251 1.00 4.20 N ATOM 0 H HIS B 108 -1.530 7.180 -3.637 1.00 71.24 H new ATOM 0 HA HIS B 108 -3.425 7.063 -5.755 1.00 41.21 H new ATOM 0 HB2 HIS B 108 -0.816 6.704 -5.637 1.00 43.22 H new ATOM 0 HB3 HIS B 108 -1.219 5.059 -5.189 1.00 43.22 H new ATOM 0 HD2 HIS B 108 -3.791 5.643 -7.760 1.00 42.21 H new ATOM 0 HE1 HIS B 108 -0.327 4.694 -10.007 1.00 73.00 H new ATOM 0 HE2 HIS B 108 -2.853 4.948 -10.084 1.00 4.20 H new ATOM 1867 N ALA B 109 -3.390 4.496 -3.639 1.00 54.31 N ATOM 1868 CA ALA B 109 -4.085 3.270 -3.202 1.00 41.12 C ATOM 1869 C ALA B 109 -5.416 3.573 -2.494 1.00 23.30 C ATOM 1870 O ALA B 109 -6.389 2.854 -2.697 1.00 42.25 O ATOM 1871 CB ALA B 109 -3.176 2.462 -2.276 1.00 12.54 C ATOM 0 H ALA B 109 -2.548 4.699 -3.101 1.00 54.31 H new ATOM 0 HA ALA B 109 -4.317 2.691 -4.096 1.00 41.12 H new ATOM 0 HB1 ALA B 109 -3.694 1.558 -1.956 1.00 12.54 H new ATOM 0 HB2 ALA B 109 -2.265 2.189 -2.808 1.00 12.54 H new ATOM 0 HB3 ALA B 109 -2.921 3.062 -1.403 1.00 12.54 H new ATOM 1877 N ARG B 110 -5.437 4.636 -1.665 1.00 61.33 N ATOM 1878 CA ARG B 110 -6.642 5.049 -0.898 1.00 73.41 C ATOM 1879 C ARG B 110 -7.813 5.348 -1.851 1.00 75.32 C ATOM 1880 O ARG B 110 -8.954 4.968 -1.582 1.00 42.23 O ATOM 1881 CB ARG B 110 -6.333 6.292 0.014 1.00 54.33 C ATOM 1882 CG ARG B 110 -6.174 5.989 1.521 1.00 72.03 C ATOM 1883 CD ARG B 110 -7.441 5.363 2.135 1.00 23.41 C ATOM 1884 NE ARG B 110 -7.342 5.143 3.591 1.00 34.01 N ATOM 1885 CZ ARG B 110 -8.383 4.832 4.392 1.00 34.11 C ATOM 1886 NH1 ARG B 110 -9.614 4.687 3.898 1.00 54.24 N ATOM 1887 NH2 ARG B 110 -8.200 4.704 5.697 1.00 24.25 N ATOM 0 H ARG B 110 -4.626 5.234 -1.505 1.00 61.33 H new ATOM 0 HA ARG B 110 -6.930 4.222 -0.249 1.00 73.41 H new ATOM 0 HB2 ARG B 110 -5.417 6.763 -0.343 1.00 54.33 H new ATOM 0 HB3 ARG B 110 -7.135 7.020 -0.110 1.00 54.33 H new ATOM 0 HG2 ARG B 110 -5.332 5.312 1.665 1.00 72.03 H new ATOM 0 HG3 ARG B 110 -5.936 6.911 2.050 1.00 72.03 H new ATOM 0 HD2 ARG B 110 -8.293 6.012 1.931 1.00 23.41 H new ATOM 0 HD3 ARG B 110 -7.641 4.410 1.644 1.00 23.41 H new ATOM 0 HE ARG B 110 -6.422 5.232 4.022 1.00 34.01 H new ATOM 0 HH11 ARG B 110 -9.781 4.811 2.899 1.00 54.24 H new ATOM 0 HH12 ARG B 110 -10.388 4.452 4.519 1.00 54.24 H new ATOM 0 HH21 ARG B 110 -7.272 4.840 6.098 1.00 24.25 H new ATOM 0 HH22 ARG B 110 -8.987 4.469 6.302 1.00 24.25 H new ATOM 1901 N ALA B 111 -7.486 6.016 -2.968 1.00 31.51 N ATOM 1902 CA ALA B 111 -8.456 6.365 -4.008 1.00 12.22 C ATOM 1903 C ALA B 111 -8.906 5.120 -4.792 1.00 21.34 C ATOM 1904 O ALA B 111 -10.096 4.956 -5.059 1.00 70.00 O ATOM 1905 CB ALA B 111 -7.861 7.419 -4.944 1.00 5.21 C ATOM 0 H ALA B 111 -6.537 6.329 -3.172 1.00 31.51 H new ATOM 0 HA ALA B 111 -9.341 6.783 -3.529 1.00 12.22 H new ATOM 0 HB1 ALA B 111 -8.588 7.673 -5.715 1.00 5.21 H new ATOM 0 HB2 ALA B 111 -7.610 8.313 -4.373 1.00 5.21 H new ATOM 0 HB3 ALA B 111 -6.960 7.023 -5.412 1.00 5.21 H new ATOM 1911 N LEU B 112 -7.940 4.242 -5.125 1.00 73.25 N ATOM 1912 CA LEU B 112 -8.199 3.035 -5.944 1.00 23.24 C ATOM 1913 C LEU B 112 -9.144 2.059 -5.219 1.00 30.31 C ATOM 1914 O LEU B 112 -10.203 1.728 -5.757 1.00 13.44 O ATOM 1915 CB LEU B 112 -6.872 2.333 -6.332 1.00 43.44 C ATOM 1916 CG LEU B 112 -5.958 3.120 -7.318 1.00 2.45 C ATOM 1917 CD1 LEU B 112 -4.613 2.420 -7.488 1.00 4.11 C ATOM 1918 CD2 LEU B 112 -6.634 3.339 -8.688 1.00 32.04 C ATOM 0 H LEU B 112 -6.966 4.345 -4.839 1.00 73.25 H new ATOM 0 HA LEU B 112 -8.693 3.357 -6.861 1.00 23.24 H new ATOM 0 HB2 LEU B 112 -6.307 2.134 -5.421 1.00 43.44 H new ATOM 0 HB3 LEU B 112 -7.109 1.367 -6.777 1.00 43.44 H new ATOM 0 HG LEU B 112 -5.787 4.103 -6.880 1.00 2.45 H new ATOM 0 HD11 LEU B 112 -3.992 2.988 -8.181 1.00 4.11 H new ATOM 0 HD12 LEU B 112 -4.112 2.355 -6.522 1.00 4.11 H new ATOM 0 HD13 LEU B 112 -4.772 1.417 -7.883 1.00 4.11 H new ATOM 0 HD21 LEU B 112 -5.960 3.892 -9.342 1.00 32.04 H new ATOM 0 HD22 LEU B 112 -6.866 2.374 -9.138 1.00 32.04 H new ATOM 0 HD23 LEU B 112 -7.555 3.907 -8.553 1.00 32.04 H new ATOM 1930 N VAL B 113 -8.770 1.673 -3.977 1.00 25.13 N ATOM 1931 CA VAL B 113 -9.550 0.716 -3.161 1.00 53.24 C ATOM 1932 C VAL B 113 -10.970 1.261 -2.916 1.00 15.31 C ATOM 1933 O VAL B 113 -11.950 0.538 -3.091 1.00 3.44 O ATOM 1934 CB VAL B 113 -8.869 0.385 -1.765 1.00 62.54 C ATOM 1935 CG1 VAL B 113 -9.668 -0.693 -0.996 1.00 74.45 C ATOM 1936 CG2 VAL B 113 -7.398 -0.059 -1.912 1.00 4.53 C ATOM 0 H VAL B 113 -7.926 2.013 -3.516 1.00 25.13 H new ATOM 0 HA VAL B 113 -9.590 -0.212 -3.731 1.00 53.24 H new ATOM 0 HB VAL B 113 -8.878 1.314 -1.194 1.00 62.54 H new ATOM 0 HG11 VAL B 113 -9.178 -0.899 -0.044 1.00 74.45 H new ATOM 0 HG12 VAL B 113 -10.681 -0.334 -0.813 1.00 74.45 H new ATOM 0 HG13 VAL B 113 -9.709 -1.607 -1.588 1.00 74.45 H new ATOM 0 HG21 VAL B 113 -6.982 -0.272 -0.927 1.00 4.53 H new ATOM 0 HG22 VAL B 113 -7.349 -0.956 -2.529 1.00 4.53 H new ATOM 0 HG23 VAL B 113 -6.823 0.738 -2.384 1.00 4.53 H new ATOM 1946 N ARG B 114 -11.049 2.567 -2.577 1.00 61.22 N ATOM 1947 CA ARG B 114 -12.316 3.242 -2.237 1.00 55.12 C ATOM 1948 C ARG B 114 -13.305 3.245 -3.417 1.00 21.40 C ATOM 1949 O ARG B 114 -14.476 2.885 -3.241 1.00 11.43 O ATOM 1950 CB ARG B 114 -12.060 4.692 -1.747 1.00 42.24 C ATOM 1951 CG ARG B 114 -13.332 5.468 -1.324 1.00 12.53 C ATOM 1952 CD ARG B 114 -14.115 4.770 -0.186 1.00 73.42 C ATOM 1953 NE ARG B 114 -15.466 5.324 -0.017 1.00 34.21 N ATOM 1954 CZ ARG B 114 -16.573 4.867 -0.627 1.00 15.34 C ATOM 1955 NH1 ARG B 114 -16.526 3.844 -1.475 1.00 34.42 N ATOM 1956 NH2 ARG B 114 -17.738 5.439 -0.375 1.00 70.43 N ATOM 0 H ARG B 114 -10.235 3.180 -2.532 1.00 61.22 H new ATOM 0 HA ARG B 114 -12.770 2.672 -1.426 1.00 55.12 H new ATOM 0 HB2 ARG B 114 -11.373 4.659 -0.901 1.00 42.24 H new ATOM 0 HB3 ARG B 114 -11.560 5.246 -2.542 1.00 42.24 H new ATOM 0 HG2 ARG B 114 -13.049 6.470 -1.002 1.00 12.53 H new ATOM 0 HG3 ARG B 114 -13.985 5.584 -2.189 1.00 12.53 H new ATOM 0 HD2 ARG B 114 -14.186 3.703 -0.398 1.00 73.42 H new ATOM 0 HD3 ARG B 114 -13.563 4.873 0.748 1.00 73.42 H new ATOM 0 HE ARG B 114 -15.572 6.119 0.614 1.00 34.21 H new ATOM 0 HH11 ARG B 114 -15.636 3.388 -1.675 1.00 34.42 H new ATOM 0 HH12 ARG B 114 -17.380 3.515 -1.926 1.00 34.42 H new ATOM 0 HH21 ARG B 114 -17.792 6.221 0.278 1.00 70.43 H new ATOM 0 HH22 ARG B 114 -18.583 5.099 -0.834 1.00 70.43 H new ATOM 1970 N GLU B 115 -12.833 3.648 -4.609 1.00 14.11 N ATOM 1971 CA GLU B 115 -13.689 3.714 -5.808 1.00 0.42 C ATOM 1972 C GLU B 115 -14.082 2.308 -6.277 1.00 75.22 C ATOM 1973 O GLU B 115 -15.169 2.114 -6.839 1.00 64.10 O ATOM 1974 CB GLU B 115 -13.005 4.502 -6.946 1.00 25.44 C ATOM 1975 CG GLU B 115 -12.658 5.964 -6.601 1.00 61.22 C ATOM 1976 CD GLU B 115 -13.836 6.755 -6.008 1.00 40.11 C ATOM 1977 OE1 GLU B 115 -14.727 7.174 -6.774 1.00 23.43 O ATOM 1978 OE2 GLU B 115 -13.885 6.950 -4.775 1.00 42.31 O ATOM 0 H GLU B 115 -11.867 3.932 -4.769 1.00 14.11 H new ATOM 0 HA GLU B 115 -14.599 4.249 -5.535 1.00 0.42 H new ATOM 0 HB2 GLU B 115 -12.089 3.983 -7.229 1.00 25.44 H new ATOM 0 HB3 GLU B 115 -13.659 4.494 -7.818 1.00 25.44 H new ATOM 0 HG2 GLU B 115 -11.831 5.974 -5.891 1.00 61.22 H new ATOM 0 HG3 GLU B 115 -12.310 6.468 -7.503 1.00 61.22 H new ATOM 1985 N CYS B 116 -13.198 1.325 -6.019 1.00 33.45 N ATOM 1986 CA CYS B 116 -13.468 -0.079 -6.345 1.00 32.20 C ATOM 1987 C CYS B 116 -14.485 -0.688 -5.358 1.00 20.34 C ATOM 1988 O CYS B 116 -15.248 -1.552 -5.768 1.00 75.24 O ATOM 1989 CB CYS B 116 -12.171 -0.893 -6.377 1.00 30.10 C ATOM 1990 SG CYS B 116 -10.975 -0.336 -7.610 1.00 53.24 S ATOM 0 H CYS B 116 -12.289 1.484 -5.584 1.00 33.45 H new ATOM 0 HA CYS B 116 -13.908 -0.116 -7.341 1.00 32.20 H new ATOM 0 HB2 CYS B 116 -11.706 -0.852 -5.392 1.00 30.10 H new ATOM 0 HB3 CYS B 116 -12.416 -1.937 -6.571 1.00 30.10 H new ATOM 0 HG CYS B 116 -10.313 0.681 -7.144 1.00 53.24 H new ATOM 1996 N LEU B 117 -14.522 -0.190 -4.075 1.00 0.11 N ATOM 1997 CA LEU B 117 -15.517 -0.652 -3.045 1.00 62.54 C ATOM 1998 C LEU B 117 -16.960 -0.580 -3.588 1.00 23.10 C ATOM 1999 O LEU B 117 -17.812 -1.400 -3.227 1.00 52.03 O ATOM 2000 CB LEU B 117 -15.464 0.181 -1.717 1.00 32.33 C ATOM 2001 CG LEU B 117 -14.149 0.152 -0.872 1.00 50.42 C ATOM 2002 CD1 LEU B 117 -14.310 1.007 0.390 1.00 4.43 C ATOM 2003 CD2 LEU B 117 -13.699 -1.270 -0.489 1.00 73.24 C ATOM 0 H LEU B 117 -13.879 0.525 -3.734 1.00 0.11 H new ATOM 0 HA LEU B 117 -15.238 -1.682 -2.824 1.00 62.54 H new ATOM 0 HB2 LEU B 117 -15.674 1.221 -1.969 1.00 32.33 H new ATOM 0 HB3 LEU B 117 -16.277 -0.162 -1.077 1.00 32.33 H new ATOM 0 HG LEU B 117 -13.367 0.567 -1.508 1.00 50.42 H new ATOM 0 HD11 LEU B 117 -13.387 0.978 0.969 1.00 4.43 H new ATOM 0 HD12 LEU B 117 -14.528 2.037 0.107 1.00 4.43 H new ATOM 0 HD13 LEU B 117 -15.129 0.615 0.993 1.00 4.43 H new ATOM 0 HD21 LEU B 117 -12.781 -1.216 0.096 1.00 73.24 H new ATOM 0 HD22 LEU B 117 -14.478 -1.751 0.102 1.00 73.24 H new ATOM 0 HD23 LEU B 117 -13.519 -1.851 -1.394 1.00 73.24 H new