USER MOD reduce.3.24.130724 H: found=0, std=0, add=745, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 748 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 68 MET CE :methyl -174:sc= -0.0123 (180deg=-0.0528) USER MOD Set 1.2: A 74 CYS SG : rot 126:sc= 0.639 USER MOD Set 2.1: A 47 LYS NZ :NH3+ 157:sc= 1.18 (180deg=0) USER MOD Set 2.2: A 62 THR OG1 : rot 180:sc= 0.988 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 MET CE :methyl 147:sc= -0.841 (180deg=-3.66!) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 91:sc= 1.32 USER MOD Single : A 45 MET CE :methyl -173:sc= -0.233 (180deg=-0.344) USER MOD Single : A 49 LYS NZ :NH3+ 165:sc= 1.31 (180deg=1.06) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 174:sc= 1.28 (180deg=1.25) USER MOD Single : A 78 MET CE :methyl -108:sc= -1.52 (180deg=-7.62!) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ -172:sc= 0.54 (180deg=0.412) USER MOD Single : A 98 SER OG : rot 150:sc= 2.07 USER MOD Single : A 109 THR OG1 : rot 160:sc= 0.513 USER MOD Single : A 110 GLN : amide:sc= -0.56 X(o=-0.56,f=-0.41) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 217 N ILE A 14 -6.761 8.789 -3.900 1.00 0.00 N ATOM 218 CA ILE A 14 -6.190 8.668 -5.240 1.00 0.00 C ATOM 219 C ILE A 14 -7.143 7.819 -6.092 1.00 0.00 C ATOM 220 O ILE A 14 -7.589 8.258 -7.157 1.00 0.00 O ATOM 221 CB ILE A 14 -4.757 8.090 -5.133 1.00 0.00 C ATOM 222 CG1 ILE A 14 -3.798 9.150 -4.541 1.00 0.00 C ATOM 223 CG2 ILE A 14 -4.227 7.582 -6.487 1.00 0.00 C ATOM 224 CD1 ILE A 14 -2.496 8.563 -3.986 1.00 0.00 C ATOM 0 HA ILE A 14 -6.091 9.635 -5.734 1.00 0.00 H new ATOM 0 HB ILE A 14 -4.803 7.230 -4.465 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -3.556 9.880 -5.314 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -4.312 9.687 -3.744 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -3.219 7.187 -6.358 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -4.881 6.794 -6.861 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -4.205 8.405 -7.201 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.875 9.366 -3.588 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -2.726 7.855 -3.190 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -1.959 8.050 -4.784 1.00 0.00 H new ATOM 236 N GLU A 15 -7.484 6.627 -5.602 1.00 0.00 N ATOM 237 CA GLU A 15 -8.302 5.677 -6.333 1.00 0.00 C ATOM 238 C GLU A 15 -9.694 6.240 -6.644 1.00 0.00 C ATOM 239 O GLU A 15 -10.167 6.044 -7.760 1.00 0.00 O ATOM 240 CB GLU A 15 -8.365 4.355 -5.549 1.00 0.00 C ATOM 241 CG GLU A 15 -9.252 3.307 -6.231 1.00 0.00 C ATOM 242 CD GLU A 15 -9.159 1.942 -5.528 1.00 0.00 C ATOM 243 OE1 GLU A 15 -9.946 1.676 -4.591 1.00 0.00 O ATOM 244 OE2 GLU A 15 -8.313 1.106 -5.921 1.00 0.00 O ATOM 0 H GLU A 15 -7.195 6.298 -4.681 1.00 0.00 H new ATOM 0 HA GLU A 15 -7.842 5.483 -7.302 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -7.357 3.955 -5.437 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -8.744 4.549 -4.546 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -10.287 3.648 -6.228 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -8.954 3.201 -7.274 1.00 0.00 H new ATOM 251 N THR A 16 -10.342 6.947 -5.712 1.00 0.00 N ATOM 252 CA THR A 16 -11.746 7.328 -5.857 1.00 0.00 C ATOM 253 C THR A 16 -11.945 8.773 -6.344 1.00 0.00 C ATOM 254 O THR A 16 -13.066 9.121 -6.720 1.00 0.00 O ATOM 255 CB THR A 16 -12.519 7.008 -4.562 1.00 0.00 C ATOM 256 OG1 THR A 16 -11.943 7.613 -3.418 1.00 0.00 O ATOM 257 CG2 THR A 16 -12.552 5.493 -4.316 1.00 0.00 C ATOM 0 H THR A 16 -9.911 7.267 -4.845 1.00 0.00 H new ATOM 0 HA THR A 16 -12.170 6.722 -6.658 1.00 0.00 H new ATOM 0 HB THR A 16 -13.523 7.407 -4.707 1.00 0.00 H new ATOM 0 HG1 THR A 16 -12.470 7.381 -2.625 1.00 0.00 H new ATOM 0 HG21 THR A 16 -13.102 5.285 -3.398 1.00 0.00 H new ATOM 0 HG22 THR A 16 -13.045 4.999 -5.153 1.00 0.00 H new ATOM 0 HG23 THR A 16 -11.533 5.117 -4.222 1.00 0.00 H new ATOM 265 N GLU A 17 -10.893 9.601 -6.404 1.00 0.00 N ATOM 266 CA GLU A 17 -11.015 11.018 -6.765 1.00 0.00 C ATOM 267 C GLU A 17 -10.093 11.424 -7.924 1.00 0.00 C ATOM 268 O GLU A 17 -10.367 12.444 -8.559 1.00 0.00 O ATOM 269 CB GLU A 17 -10.756 11.934 -5.551 1.00 0.00 C ATOM 270 CG GLU A 17 -11.546 11.595 -4.273 1.00 0.00 C ATOM 271 CD GLU A 17 -13.077 11.628 -4.450 1.00 0.00 C ATOM 272 OE1 GLU A 17 -13.613 12.548 -5.110 1.00 0.00 O ATOM 273 OE2 GLU A 17 -13.770 10.765 -3.864 1.00 0.00 O ATOM 0 H GLU A 17 -9.937 9.307 -6.204 1.00 0.00 H new ATOM 0 HA GLU A 17 -12.044 11.148 -7.101 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -9.692 11.902 -5.317 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -10.989 12.960 -5.838 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -11.252 10.603 -3.930 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -11.267 12.299 -3.489 1.00 0.00 H new ATOM 280 N ILE A 18 -9.040 10.654 -8.241 1.00 0.00 N ATOM 281 CA ILE A 18 -8.031 11.064 -9.227 1.00 0.00 C ATOM 282 C ILE A 18 -8.076 10.128 -10.437 1.00 0.00 C ATOM 283 O ILE A 18 -8.131 10.607 -11.569 1.00 0.00 O ATOM 284 CB ILE A 18 -6.622 11.155 -8.581 1.00 0.00 C ATOM 285 CG1 ILE A 18 -6.669 12.006 -7.288 1.00 0.00 C ATOM 286 CG2 ILE A 18 -5.600 11.728 -9.584 1.00 0.00 C ATOM 287 CD1 ILE A 18 -5.307 12.302 -6.652 1.00 0.00 C ATOM 0 H ILE A 18 -8.866 9.739 -7.825 1.00 0.00 H new ATOM 0 HA ILE A 18 -8.262 12.067 -9.585 1.00 0.00 H new ATOM 0 HB ILE A 18 -6.301 10.149 -8.311 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -7.160 12.953 -7.513 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -7.290 11.491 -6.555 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.619 11.784 -9.112 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.546 11.080 -10.459 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -5.912 12.726 -9.891 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -5.448 12.903 -5.754 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -4.817 11.365 -6.388 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -4.686 12.849 -7.361 1.00 0.00 H new ATOM 299 N ILE A 19 -8.113 8.809 -10.222 1.00 0.00 N ATOM 300 CA ILE A 19 -8.025 7.813 -11.299 1.00 0.00 C ATOM 301 C ILE A 19 -9.242 6.873 -11.331 1.00 0.00 C ATOM 302 O ILE A 19 -9.211 5.840 -11.997 1.00 0.00 O ATOM 303 CB ILE A 19 -6.667 7.096 -11.246 1.00 0.00 C ATOM 304 CG1 ILE A 19 -6.424 6.496 -9.850 1.00 0.00 C ATOM 305 CG2 ILE A 19 -5.539 8.060 -11.668 1.00 0.00 C ATOM 306 CD1 ILE A 19 -5.249 5.538 -9.881 1.00 0.00 C ATOM 0 H ILE A 19 -8.205 8.399 -9.293 1.00 0.00 H new ATOM 0 HA ILE A 19 -8.067 8.327 -12.259 1.00 0.00 H new ATOM 0 HB ILE A 19 -6.673 6.267 -11.954 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -6.231 7.294 -9.133 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -7.318 5.973 -9.512 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.582 7.540 -11.626 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -5.719 8.408 -12.685 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -5.518 8.914 -10.991 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -5.091 5.123 -8.885 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -5.457 4.730 -10.582 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -4.353 6.072 -10.198 1.00 0.00 H new ATOM 318 N VAL A 20 -10.328 7.239 -10.646 1.00 0.00 N ATOM 319 CA VAL A 20 -11.553 6.444 -10.539 1.00 0.00 C ATOM 320 C VAL A 20 -12.131 6.044 -11.904 1.00 0.00 C ATOM 321 O VAL A 20 -12.637 4.931 -12.058 1.00 0.00 O ATOM 322 CB VAL A 20 -12.555 7.214 -9.650 1.00 0.00 C ATOM 323 CG1 VAL A 20 -13.124 8.492 -10.289 1.00 0.00 C ATOM 324 CG2 VAL A 20 -13.698 6.321 -9.152 1.00 0.00 C ATOM 0 H VAL A 20 -10.381 8.121 -10.136 1.00 0.00 H new ATOM 0 HA VAL A 20 -11.323 5.489 -10.066 1.00 0.00 H new ATOM 0 HB VAL A 20 -11.957 7.534 -8.797 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -13.818 8.968 -9.596 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -12.309 9.179 -10.516 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -13.649 8.236 -11.209 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -14.375 6.908 -8.532 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -14.244 5.919 -10.005 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -13.288 5.500 -8.564 1.00 0.00 H new ATOM 334 N ASP A 21 -12.035 6.929 -12.902 1.00 0.00 N ATOM 335 CA ASP A 21 -12.599 6.714 -14.236 1.00 0.00 C ATOM 336 C ASP A 21 -11.581 6.071 -15.189 1.00 0.00 C ATOM 337 O ASP A 21 -11.929 5.703 -16.313 1.00 0.00 O ATOM 338 CB ASP A 21 -13.084 8.063 -14.787 1.00 0.00 C ATOM 339 CG ASP A 21 -13.821 7.923 -16.131 1.00 0.00 C ATOM 340 OD1 ASP A 21 -14.881 7.258 -16.182 1.00 0.00 O ATOM 341 OD2 ASP A 21 -13.384 8.535 -17.132 1.00 0.00 O ATOM 0 H ASP A 21 -11.557 7.825 -12.803 1.00 0.00 H new ATOM 0 HA ASP A 21 -13.436 6.021 -14.158 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -13.748 8.531 -14.060 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -12.230 8.728 -14.913 1.00 0.00 H new ATOM 346 N ALA A 22 -10.315 5.944 -14.768 1.00 0.00 N ATOM 347 CA ALA A 22 -9.246 5.464 -15.631 1.00 0.00 C ATOM 348 C ALA A 22 -9.313 3.945 -15.830 1.00 0.00 C ATOM 349 O ALA A 22 -9.924 3.219 -15.042 1.00 0.00 O ATOM 350 CB ALA A 22 -7.879 5.886 -15.085 1.00 0.00 C ATOM 0 H ALA A 22 -10.012 6.172 -13.821 1.00 0.00 H new ATOM 0 HA ALA A 22 -9.383 5.924 -16.610 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.094 5.517 -15.745 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -7.828 6.974 -15.033 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -7.741 5.468 -14.088 1.00 0.00 H new ATOM 356 N GLU A 23 -8.644 3.473 -16.885 1.00 0.00 N ATOM 357 CA GLU A 23 -8.665 2.074 -17.311 1.00 0.00 C ATOM 358 C GLU A 23 -7.356 1.653 -18.009 1.00 0.00 C ATOM 359 O GLU A 23 -7.017 0.469 -18.008 1.00 0.00 O ATOM 360 CB GLU A 23 -9.866 1.899 -18.263 1.00 0.00 C ATOM 361 CG GLU A 23 -10.252 0.444 -18.573 1.00 0.00 C ATOM 362 CD GLU A 23 -10.768 -0.310 -17.332 1.00 0.00 C ATOM 363 OE1 GLU A 23 -11.974 -0.211 -17.012 1.00 0.00 O ATOM 364 OE2 GLU A 23 -9.984 -1.035 -16.680 1.00 0.00 O ATOM 0 H GLU A 23 -8.062 4.065 -17.477 1.00 0.00 H new ATOM 0 HA GLU A 23 -8.760 1.433 -16.435 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -10.730 2.402 -17.828 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -9.641 2.406 -19.202 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -11.021 0.433 -19.346 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -9.386 -0.079 -18.977 1.00 0.00 H new ATOM 371 N ASP A 24 -6.600 2.594 -18.590 1.00 0.00 N ATOM 372 CA ASP A 24 -5.397 2.327 -19.383 1.00 0.00 C ATOM 373 C ASP A 24 -4.436 3.509 -19.238 1.00 0.00 C ATOM 374 O ASP A 24 -4.776 4.515 -18.608 1.00 0.00 O ATOM 375 CB ASP A 24 -5.788 2.111 -20.859 1.00 0.00 C ATOM 376 CG ASP A 24 -4.685 1.494 -21.741 1.00 0.00 C ATOM 377 OD1 ASP A 24 -3.647 1.033 -21.215 1.00 0.00 O ATOM 378 OD2 ASP A 24 -4.860 1.471 -22.979 1.00 0.00 O ATOM 0 H ASP A 24 -6.816 3.588 -18.518 1.00 0.00 H new ATOM 0 HA ASP A 24 -4.902 1.424 -19.027 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -6.666 1.466 -20.896 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -6.080 3.070 -21.286 1.00 0.00 H new ATOM 383 N LYS A 25 -3.242 3.408 -19.820 1.00 0.00 N ATOM 384 CA LYS A 25 -2.150 4.366 -19.644 1.00 0.00 C ATOM 385 C LYS A 25 -2.538 5.798 -19.998 1.00 0.00 C ATOM 386 O LYS A 25 -2.115 6.728 -19.312 1.00 0.00 O ATOM 387 CB LYS A 25 -0.899 3.911 -20.405 1.00 0.00 C ATOM 388 CG LYS A 25 -1.071 3.946 -21.932 1.00 0.00 C ATOM 389 CD LYS A 25 0.090 3.282 -22.684 1.00 0.00 C ATOM 390 CE LYS A 25 0.127 1.767 -22.433 1.00 0.00 C ATOM 391 NZ LYS A 25 1.198 1.093 -23.209 1.00 0.00 N ATOM 0 H LYS A 25 -3.000 2.638 -20.443 1.00 0.00 H new ATOM 0 HA LYS A 25 -1.918 4.382 -18.579 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -0.060 4.549 -20.126 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -0.644 2.897 -20.098 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -2.002 3.446 -22.198 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.162 4.982 -22.258 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.010 3.473 -23.752 1.00 0.00 H new ATOM 0 HD3 LYS A 25 1.033 3.728 -22.367 1.00 0.00 H new ATOM 0 HE2 LYS A 25 0.280 1.581 -21.370 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -0.838 1.334 -22.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 1.184 0.073 -23.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 1.040 1.247 -24.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 2.122 1.486 -22.939 1.00 0.00 H new ATOM 405 N GLU A 26 -3.333 5.989 -21.047 1.00 0.00 N ATOM 406 CA GLU A 26 -3.751 7.324 -21.450 1.00 0.00 C ATOM 407 C GLU A 26 -4.716 7.859 -20.395 1.00 0.00 C ATOM 408 O GLU A 26 -4.585 8.990 -19.931 1.00 0.00 O ATOM 409 CB GLU A 26 -4.408 7.281 -22.840 1.00 0.00 C ATOM 410 CG GLU A 26 -3.419 6.866 -23.940 1.00 0.00 C ATOM 411 CD GLU A 26 -4.071 6.905 -25.334 1.00 0.00 C ATOM 412 OE1 GLU A 26 -4.677 5.895 -25.758 1.00 0.00 O ATOM 413 OE2 GLU A 26 -3.965 7.937 -26.034 1.00 0.00 O ATOM 0 H GLU A 26 -3.699 5.237 -21.631 1.00 0.00 H new ATOM 0 HA GLU A 26 -2.889 7.988 -21.522 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.244 6.581 -22.823 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.819 8.263 -23.076 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -2.555 7.531 -23.923 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -3.051 5.860 -23.738 1.00 0.00 H new ATOM 420 N GLU A 27 -5.655 7.018 -19.959 1.00 0.00 N ATOM 421 CA GLU A 27 -6.719 7.416 -19.059 1.00 0.00 C ATOM 422 C GLU A 27 -6.176 7.721 -17.666 1.00 0.00 C ATOM 423 O GLU A 27 -6.651 8.671 -17.044 1.00 0.00 O ATOM 424 CB GLU A 27 -7.800 6.327 -18.999 1.00 0.00 C ATOM 425 CG GLU A 27 -8.344 5.874 -20.364 1.00 0.00 C ATOM 426 CD GLU A 27 -8.921 7.032 -21.201 1.00 0.00 C ATOM 427 OE1 GLU A 27 -9.860 7.718 -20.738 1.00 0.00 O ATOM 428 OE2 GLU A 27 -8.465 7.245 -22.347 1.00 0.00 O ATOM 0 H GLU A 27 -5.692 6.035 -20.228 1.00 0.00 H new ATOM 0 HA GLU A 27 -7.169 8.330 -19.445 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -7.391 5.459 -18.482 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -8.631 6.694 -18.397 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -7.544 5.392 -20.925 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -9.120 5.125 -20.208 1.00 0.00 H new ATOM 435 N ARG A 28 -5.181 6.973 -17.159 1.00 0.00 N ATOM 436 CA ARG A 28 -4.692 7.260 -15.803 1.00 0.00 C ATOM 437 C ARG A 28 -3.947 8.583 -15.801 1.00 0.00 C ATOM 438 O ARG A 28 -4.129 9.377 -14.882 1.00 0.00 O ATOM 439 CB ARG A 28 -3.938 6.084 -15.139 1.00 0.00 C ATOM 440 CG ARG A 28 -2.403 6.162 -15.028 1.00 0.00 C ATOM 441 CD ARG A 28 -1.700 5.876 -16.354 1.00 0.00 C ATOM 442 NE ARG A 28 -0.247 5.653 -16.222 1.00 0.00 N ATOM 443 CZ ARG A 28 0.721 5.960 -17.096 1.00 0.00 C ATOM 444 NH1 ARG A 28 0.466 6.653 -18.203 1.00 0.00 N ATOM 445 NH2 ARG A 28 1.959 5.550 -16.842 1.00 0.00 N ATOM 0 H ARG A 28 -4.719 6.202 -17.641 1.00 0.00 H new ATOM 0 HA ARG A 28 -5.554 7.373 -15.146 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -4.337 5.961 -14.132 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -4.184 5.178 -15.692 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -2.118 7.154 -14.677 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -2.060 5.448 -14.279 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -2.153 4.997 -16.812 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -1.870 6.712 -17.032 1.00 0.00 H new ATOM 0 HE ARG A 28 0.059 5.209 -15.356 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -0.485 6.964 -18.402 1.00 0.00 H new ATOM 0 HH12 ARG A 28 1.221 6.873 -18.852 1.00 0.00 H new ATOM 0 HH21 ARG A 28 2.155 5.014 -15.997 1.00 0.00 H new ATOM 0 HH22 ARG A 28 2.713 5.771 -17.492 1.00 0.00 H new ATOM 459 N ALA A 29 -3.167 8.848 -16.852 1.00 0.00 N ATOM 460 CA ALA A 29 -2.439 10.097 -16.955 1.00 0.00 C ATOM 461 C ALA A 29 -3.400 11.274 -17.120 1.00 0.00 C ATOM 462 O ALA A 29 -3.193 12.311 -16.495 1.00 0.00 O ATOM 463 CB ALA A 29 -1.425 10.005 -18.087 1.00 0.00 C ATOM 0 H ALA A 29 -3.029 8.211 -17.637 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.889 10.277 -16.032 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -0.878 10.945 -18.163 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -0.726 9.194 -17.884 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -1.944 9.810 -19.025 1.00 0.00 H new ATOM 469 N MET A 30 -4.488 11.112 -17.881 1.00 0.00 N ATOM 470 CA MET A 30 -5.548 12.115 -17.921 1.00 0.00 C ATOM 471 C MET A 30 -6.200 12.292 -16.548 1.00 0.00 C ATOM 472 O MET A 30 -6.480 13.425 -16.166 1.00 0.00 O ATOM 473 CB MET A 30 -6.573 11.799 -19.012 1.00 0.00 C ATOM 474 CG MET A 30 -6.004 11.971 -20.429 1.00 0.00 C ATOM 475 SD MET A 30 -5.471 13.644 -20.914 1.00 0.00 S ATOM 476 CE MET A 30 -3.740 13.689 -20.357 1.00 0.00 C ATOM 0 H MET A 30 -4.654 10.298 -18.474 1.00 0.00 H new ATOM 0 HA MET A 30 -5.093 13.071 -18.181 1.00 0.00 H new ATOM 0 HB2 MET A 30 -6.925 10.775 -18.888 1.00 0.00 H new ATOM 0 HB3 MET A 30 -7.439 12.450 -18.891 1.00 0.00 H new ATOM 0 HG2 MET A 30 -5.151 11.301 -20.534 1.00 0.00 H new ATOM 0 HG3 MET A 30 -6.760 11.638 -21.140 1.00 0.00 H new ATOM 0 HE1 MET A 30 -3.155 14.308 -21.037 1.00 0.00 H new ATOM 0 HE2 MET A 30 -3.692 14.109 -19.352 1.00 0.00 H new ATOM 0 HE3 MET A 30 -3.335 12.677 -20.347 1.00 0.00 H new ATOM 486 N GLY A 31 -6.374 11.220 -15.771 1.00 0.00 N ATOM 487 CA GLY A 31 -6.844 11.301 -14.395 1.00 0.00 C ATOM 488 C GLY A 31 -5.941 12.200 -13.549 1.00 0.00 C ATOM 489 O GLY A 31 -6.430 13.148 -12.928 1.00 0.00 O ATOM 0 H GLY A 31 -6.190 10.267 -16.086 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -7.863 11.688 -14.379 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -6.876 10.302 -13.960 1.00 0.00 H new ATOM 493 N TRP A 32 -4.621 11.960 -13.585 1.00 0.00 N ATOM 494 CA TRP A 32 -3.650 12.807 -12.893 1.00 0.00 C ATOM 495 C TRP A 32 -3.804 14.263 -13.356 1.00 0.00 C ATOM 496 O TRP A 32 -3.929 15.178 -12.540 1.00 0.00 O ATOM 497 CB TRP A 32 -2.198 12.369 -13.181 1.00 0.00 C ATOM 498 CG TRP A 32 -1.762 10.936 -13.087 1.00 0.00 C ATOM 499 CD1 TRP A 32 -2.331 9.932 -12.386 1.00 0.00 C ATOM 500 CD2 TRP A 32 -0.631 10.326 -13.777 1.00 0.00 C ATOM 501 NE1 TRP A 32 -1.601 8.767 -12.539 1.00 0.00 N ATOM 502 CE2 TRP A 32 -0.555 8.948 -13.424 1.00 0.00 C ATOM 503 CE3 TRP A 32 0.309 10.805 -14.713 1.00 0.00 C ATOM 504 CZ2 TRP A 32 0.410 8.095 -13.984 1.00 0.00 C ATOM 505 CZ3 TRP A 32 1.263 9.955 -15.298 1.00 0.00 C ATOM 506 CH2 TRP A 32 1.311 8.601 -14.934 1.00 0.00 C ATOM 0 H TRP A 32 -4.204 11.179 -14.091 1.00 0.00 H new ATOM 0 HA TRP A 32 -3.846 12.712 -11.825 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -1.965 12.702 -14.192 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -1.559 12.936 -12.504 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -3.228 10.025 -11.791 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -1.808 7.890 -12.061 1.00 0.00 H new ATOM 0 HE3 TRP A 32 0.295 11.850 -14.987 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 0.458 7.058 -13.686 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 1.959 10.344 -16.027 1.00 0.00 H new ATOM 0 HH2 TRP A 32 2.042 7.947 -15.385 1.00 0.00 H new ATOM 517 N TYR A 33 -3.808 14.461 -14.676 1.00 0.00 N ATOM 518 CA TYR A 33 -3.731 15.759 -15.318 1.00 0.00 C ATOM 519 C TYR A 33 -4.946 16.608 -14.976 1.00 0.00 C ATOM 520 O TYR A 33 -4.779 17.749 -14.552 1.00 0.00 O ATOM 521 CB TYR A 33 -3.611 15.539 -16.832 1.00 0.00 C ATOM 522 CG TYR A 33 -3.831 16.757 -17.708 1.00 0.00 C ATOM 523 CD1 TYR A 33 -3.088 17.937 -17.517 1.00 0.00 C ATOM 524 CD2 TYR A 33 -4.811 16.707 -18.714 1.00 0.00 C ATOM 525 CE1 TYR A 33 -3.337 19.063 -18.322 1.00 0.00 C ATOM 526 CE2 TYR A 33 -5.087 17.836 -19.500 1.00 0.00 C ATOM 527 CZ TYR A 33 -4.342 19.023 -19.315 1.00 0.00 C ATOM 528 OH TYR A 33 -4.591 20.129 -20.072 1.00 0.00 O ATOM 0 H TYR A 33 -3.867 13.691 -15.343 1.00 0.00 H new ATOM 0 HA TYR A 33 -2.857 16.302 -14.958 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -2.618 15.141 -17.042 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -4.329 14.773 -17.124 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -2.327 17.978 -16.752 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -5.357 15.791 -18.884 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -2.757 19.963 -18.181 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -5.868 17.798 -20.245 1.00 0.00 H new ATOM 0 HH TYR A 33 -5.310 19.935 -20.708 1.00 0.00 H new ATOM 538 N TYR A 34 -6.157 16.064 -15.124 1.00 0.00 N ATOM 539 CA TYR A 34 -7.380 16.817 -14.900 1.00 0.00 C ATOM 540 C TYR A 34 -7.485 17.224 -13.431 1.00 0.00 C ATOM 541 O TYR A 34 -7.864 18.358 -13.142 1.00 0.00 O ATOM 542 CB TYR A 34 -8.604 15.978 -15.300 1.00 0.00 C ATOM 543 CG TYR A 34 -8.740 15.528 -16.751 1.00 0.00 C ATOM 544 CD1 TYR A 34 -7.992 16.099 -17.805 1.00 0.00 C ATOM 545 CD2 TYR A 34 -9.674 14.513 -17.040 1.00 0.00 C ATOM 546 CE1 TYR A 34 -8.195 15.669 -19.131 1.00 0.00 C ATOM 547 CE2 TYR A 34 -9.875 14.074 -18.360 1.00 0.00 C ATOM 548 CZ TYR A 34 -9.138 14.655 -19.415 1.00 0.00 C ATOM 549 OH TYR A 34 -9.342 14.227 -20.693 1.00 0.00 O ATOM 0 H TYR A 34 -6.310 15.094 -15.401 1.00 0.00 H new ATOM 0 HA TYR A 34 -7.353 17.716 -15.516 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -8.612 15.085 -14.675 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -9.495 16.552 -15.047 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -7.263 16.867 -17.593 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -10.242 14.067 -16.237 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -7.628 16.116 -19.934 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -10.592 13.293 -18.567 1.00 0.00 H new ATOM 0 HH TYR A 34 -10.026 13.525 -20.698 1.00 0.00 H new ATOM 559 N TYR A 35 -7.136 16.327 -12.502 1.00 0.00 N ATOM 560 CA TYR A 35 -7.224 16.613 -11.078 1.00 0.00 C ATOM 561 C TYR A 35 -6.247 17.729 -10.695 1.00 0.00 C ATOM 562 O TYR A 35 -6.626 18.675 -10.003 1.00 0.00 O ATOM 563 CB TYR A 35 -6.949 15.330 -10.288 1.00 0.00 C ATOM 564 CG TYR A 35 -7.188 15.468 -8.798 1.00 0.00 C ATOM 565 CD1 TYR A 35 -8.495 15.360 -8.286 1.00 0.00 C ATOM 566 CD2 TYR A 35 -6.110 15.699 -7.924 1.00 0.00 C ATOM 567 CE1 TYR A 35 -8.725 15.479 -6.904 1.00 0.00 C ATOM 568 CE2 TYR A 35 -6.331 15.825 -6.541 1.00 0.00 C ATOM 569 CZ TYR A 35 -7.644 15.714 -6.024 1.00 0.00 C ATOM 570 OH TYR A 35 -7.879 15.824 -4.686 1.00 0.00 O ATOM 0 H TYR A 35 -6.789 15.393 -12.720 1.00 0.00 H new ATOM 0 HA TYR A 35 -8.227 16.962 -10.835 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -7.582 14.532 -10.676 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -5.916 15.026 -10.454 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -9.323 15.185 -8.957 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -5.107 15.780 -8.317 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -9.728 15.391 -6.514 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -5.501 16.006 -5.875 1.00 0.00 H new ATOM 0 HH TYR A 35 -7.033 15.983 -4.217 1.00 0.00 H new ATOM 580 N LEU A 36 -5.000 17.654 -11.171 1.00 0.00 N ATOM 581 CA LEU A 36 -3.981 18.659 -10.890 1.00 0.00 C ATOM 582 C LEU A 36 -4.380 19.987 -11.522 1.00 0.00 C ATOM 583 O LEU A 36 -4.341 21.009 -10.842 1.00 0.00 O ATOM 584 CB LEU A 36 -2.614 18.179 -11.411 1.00 0.00 C ATOM 585 CG LEU A 36 -1.748 17.436 -10.371 1.00 0.00 C ATOM 586 CD1 LEU A 36 -2.495 16.438 -9.475 1.00 0.00 C ATOM 587 CD2 LEU A 36 -0.635 16.679 -11.098 1.00 0.00 C ATOM 0 H LEU A 36 -4.672 16.891 -11.763 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.898 18.806 -9.813 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -2.777 17.520 -12.264 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -2.057 19.042 -11.777 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.372 18.215 -9.708 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.792 15.974 -8.783 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.267 16.962 -8.911 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -2.957 15.669 -10.094 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.018 16.151 -10.370 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.075 15.961 -11.790 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.017 17.385 -11.653 1.00 0.00 H new ATOM 599 N ASP A 37 -4.820 19.983 -12.781 1.00 0.00 N ATOM 600 CA ASP A 37 -5.267 21.188 -13.474 1.00 0.00 C ATOM 601 C ASP A 37 -6.445 21.855 -12.760 1.00 0.00 C ATOM 602 O ASP A 37 -6.525 23.082 -12.723 1.00 0.00 O ATOM 603 CB ASP A 37 -5.648 20.843 -14.918 1.00 0.00 C ATOM 604 CG ASP A 37 -6.186 22.073 -15.664 1.00 0.00 C ATOM 605 OD1 ASP A 37 -5.372 22.913 -16.105 1.00 0.00 O ATOM 606 OD2 ASP A 37 -7.419 22.180 -15.853 1.00 0.00 O ATOM 0 H ASP A 37 -4.876 19.138 -13.350 1.00 0.00 H new ATOM 0 HA ASP A 37 -4.442 21.900 -13.473 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -4.777 20.450 -15.442 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -6.402 20.056 -14.919 1.00 0.00 H new ATOM 611 N ASP A 38 -7.333 21.064 -12.151 1.00 0.00 N ATOM 612 CA ASP A 38 -8.467 21.577 -11.383 1.00 0.00 C ATOM 613 C ASP A 38 -8.049 22.102 -10.002 1.00 0.00 C ATOM 614 O ASP A 38 -8.733 22.956 -9.437 1.00 0.00 O ATOM 615 CB ASP A 38 -9.522 20.475 -11.217 1.00 0.00 C ATOM 616 CG ASP A 38 -10.745 20.973 -10.428 1.00 0.00 C ATOM 617 OD1 ASP A 38 -11.516 21.803 -10.962 1.00 0.00 O ATOM 618 OD2 ASP A 38 -10.975 20.501 -9.292 1.00 0.00 O ATOM 0 H ASP A 38 -7.284 20.046 -12.178 1.00 0.00 H new ATOM 0 HA ASP A 38 -8.883 22.416 -11.940 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -9.840 20.125 -12.199 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -9.080 19.622 -10.702 1.00 0.00 H new ATOM 623 N THR A 39 -6.928 21.620 -9.458 1.00 0.00 N ATOM 624 CA THR A 39 -6.538 21.888 -8.076 1.00 0.00 C ATOM 625 C THR A 39 -5.553 23.057 -7.988 1.00 0.00 C ATOM 626 O THR A 39 -5.706 23.928 -7.131 1.00 0.00 O ATOM 627 CB THR A 39 -5.929 20.608 -7.475 1.00 0.00 C ATOM 628 OG1 THR A 39 -6.881 19.565 -7.482 1.00 0.00 O ATOM 629 CG2 THR A 39 -5.443 20.827 -6.040 1.00 0.00 C ATOM 0 H THR A 39 -6.267 21.033 -9.966 1.00 0.00 H new ATOM 0 HA THR A 39 -7.421 22.176 -7.506 1.00 0.00 H new ATOM 0 HB THR A 39 -5.072 20.339 -8.093 1.00 0.00 H new ATOM 0 HG1 THR A 39 -6.807 19.061 -8.319 1.00 0.00 H new ATOM 0 HG21 THR A 39 -5.021 19.900 -5.653 1.00 0.00 H new ATOM 0 HG22 THR A 39 -4.680 21.606 -6.029 1.00 0.00 H new ATOM 0 HG23 THR A 39 -6.282 21.132 -5.414 1.00 0.00 H new ATOM 637 N LEU A 40 -4.531 23.061 -8.846 1.00 0.00 N ATOM 638 CA LEU A 40 -3.418 23.998 -8.781 1.00 0.00 C ATOM 639 C LEU A 40 -3.945 25.398 -9.090 1.00 0.00 C ATOM 640 O LEU A 40 -4.485 25.631 -10.173 1.00 0.00 O ATOM 641 CB LEU A 40 -2.345 23.588 -9.805 1.00 0.00 C ATOM 642 CG LEU A 40 -1.656 22.238 -9.516 1.00 0.00 C ATOM 643 CD1 LEU A 40 -0.934 21.745 -10.774 1.00 0.00 C ATOM 644 CD2 LEU A 40 -0.650 22.306 -8.372 1.00 0.00 C ATOM 0 H LEU A 40 -4.456 22.399 -9.618 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.969 23.991 -7.788 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.804 23.541 -10.792 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.584 24.367 -9.844 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.446 21.548 -9.218 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.449 20.791 -10.565 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.656 21.616 -11.581 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.183 22.476 -11.073 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.203 21.323 -8.222 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.131 23.027 -8.616 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.158 22.617 -7.459 1.00 0.00 H new ATOM 656 N GLU A 41 -3.772 26.342 -8.167 1.00 0.00 N ATOM 657 CA GLU A 41 -4.231 27.722 -8.321 1.00 0.00 C ATOM 658 C GLU A 41 -3.180 28.538 -9.093 1.00 0.00 C ATOM 659 O GLU A 41 -2.682 29.559 -8.613 1.00 0.00 O ATOM 660 CB GLU A 41 -4.600 28.329 -6.954 1.00 0.00 C ATOM 661 CG GLU A 41 -5.793 27.610 -6.305 1.00 0.00 C ATOM 662 CD GLU A 41 -6.411 28.446 -5.170 1.00 0.00 C ATOM 663 OE1 GLU A 41 -5.904 28.413 -4.027 1.00 0.00 O ATOM 664 OE2 GLU A 41 -7.428 29.140 -5.408 1.00 0.00 O ATOM 0 H GLU A 41 -3.302 26.168 -7.278 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.146 27.745 -8.914 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -3.738 28.273 -6.289 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -4.838 29.385 -7.079 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.551 27.406 -7.061 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -5.468 26.647 -5.912 1.00 0.00 H new ATOM 671 N PHE A 42 -2.780 28.048 -10.272 1.00 0.00 N ATOM 672 CA PHE A 42 -1.820 28.726 -11.139 1.00 0.00 C ATOM 673 C PHE A 42 -2.373 30.071 -11.662 1.00 0.00 C ATOM 674 O PHE A 42 -3.597 30.238 -11.716 1.00 0.00 O ATOM 675 CB PHE A 42 -1.393 27.788 -12.284 1.00 0.00 C ATOM 676 CG PHE A 42 -2.508 27.224 -13.145 1.00 0.00 C ATOM 677 CD1 PHE A 42 -3.141 28.023 -14.117 1.00 0.00 C ATOM 678 CD2 PHE A 42 -2.867 25.868 -13.019 1.00 0.00 C ATOM 679 CE1 PHE A 42 -4.147 27.479 -14.934 1.00 0.00 C ATOM 680 CE2 PHE A 42 -3.874 25.325 -13.835 1.00 0.00 C ATOM 681 CZ PHE A 42 -4.518 26.131 -14.789 1.00 0.00 C ATOM 0 H PHE A 42 -3.118 27.163 -10.651 1.00 0.00 H new ATOM 0 HA PHE A 42 -0.934 28.970 -10.553 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -0.703 28.330 -12.931 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -0.838 26.954 -11.854 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -2.852 29.057 -14.235 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -2.367 25.244 -12.293 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -4.635 28.097 -15.673 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -4.153 24.287 -13.729 1.00 0.00 H new ATOM 0 HZ PHE A 42 -5.297 25.715 -15.410 1.00 0.00 H new ATOM 691 N PRO A 43 -1.518 31.011 -12.122 1.00 0.00 N ATOM 692 CA PRO A 43 -0.060 31.006 -12.001 1.00 0.00 C ATOM 693 C PRO A 43 0.404 30.960 -10.539 1.00 0.00 C ATOM 694 O PRO A 43 -0.220 31.582 -9.676 1.00 0.00 O ATOM 695 CB PRO A 43 0.432 32.286 -12.689 1.00 0.00 C ATOM 696 CG PRO A 43 -0.701 32.633 -13.651 1.00 0.00 C ATOM 697 CD PRO A 43 -1.941 32.173 -12.888 1.00 0.00 C ATOM 0 HA PRO A 43 0.353 30.112 -12.468 1.00 0.00 H new ATOM 0 HB2 PRO A 43 0.607 33.086 -11.970 1.00 0.00 H new ATOM 0 HB3 PRO A 43 1.371 32.122 -13.218 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -0.733 33.700 -13.871 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -0.596 32.114 -14.604 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -2.313 32.961 -12.233 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -2.751 31.918 -13.572 1.00 0.00 H new ATOM 705 N PHE A 44 1.483 30.225 -10.256 1.00 0.00 N ATOM 706 CA PHE A 44 2.042 30.082 -8.911 1.00 0.00 C ATOM 707 C PHE A 44 3.565 29.950 -9.007 1.00 0.00 C ATOM 708 O PHE A 44 4.084 29.654 -10.078 1.00 0.00 O ATOM 709 CB PHE A 44 1.383 28.895 -8.177 1.00 0.00 C ATOM 710 CG PHE A 44 1.778 27.489 -8.614 1.00 0.00 C ATOM 711 CD1 PHE A 44 2.979 26.918 -8.155 1.00 0.00 C ATOM 712 CD2 PHE A 44 0.921 26.714 -9.417 1.00 0.00 C ATOM 713 CE1 PHE A 44 3.340 25.609 -8.514 1.00 0.00 C ATOM 714 CE2 PHE A 44 1.283 25.407 -9.792 1.00 0.00 C ATOM 715 CZ PHE A 44 2.492 24.852 -9.340 1.00 0.00 C ATOM 0 H PHE A 44 1.999 29.706 -10.966 1.00 0.00 H new ATOM 0 HA PHE A 44 1.825 30.970 -8.318 1.00 0.00 H new ATOM 0 HB2 PHE A 44 1.605 28.992 -7.114 1.00 0.00 H new ATOM 0 HB3 PHE A 44 0.303 28.990 -8.287 1.00 0.00 H new ATOM 0 HD1 PHE A 44 3.633 27.495 -7.517 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -0.021 27.125 -9.748 1.00 0.00 H new ATOM 0 HE1 PHE A 44 4.267 25.185 -8.156 1.00 0.00 H new ATOM 0 HE2 PHE A 44 0.630 24.829 -10.429 1.00 0.00 H new ATOM 0 HZ PHE A 44 2.768 23.848 -9.626 1.00 0.00 H new ATOM 725 N MET A 45 4.306 30.176 -7.922 1.00 0.00 N ATOM 726 CA MET A 45 5.771 30.168 -7.950 1.00 0.00 C ATOM 727 C MET A 45 6.309 28.796 -7.535 1.00 0.00 C ATOM 728 O MET A 45 5.746 28.157 -6.646 1.00 0.00 O ATOM 729 CB MET A 45 6.261 31.260 -6.985 1.00 0.00 C ATOM 730 CG MET A 45 7.782 31.406 -6.970 1.00 0.00 C ATOM 731 SD MET A 45 8.380 32.661 -5.812 1.00 0.00 S ATOM 732 CE MET A 45 10.146 32.510 -6.168 1.00 0.00 C ATOM 0 H MET A 45 3.911 30.369 -7.002 1.00 0.00 H new ATOM 0 HA MET A 45 6.133 30.366 -8.959 1.00 0.00 H new ATOM 0 HB2 MET A 45 5.813 32.213 -7.266 1.00 0.00 H new ATOM 0 HB3 MET A 45 5.914 31.029 -5.978 1.00 0.00 H new ATOM 0 HG2 MET A 45 8.228 30.445 -6.713 1.00 0.00 H new ATOM 0 HG3 MET A 45 8.124 31.658 -7.974 1.00 0.00 H new ATOM 0 HE1 MET A 45 10.713 33.118 -5.463 1.00 0.00 H new ATOM 0 HE2 MET A 45 10.449 31.467 -6.072 1.00 0.00 H new ATOM 0 HE3 MET A 45 10.343 32.853 -7.184 1.00 0.00 H new ATOM 742 N GLY A 46 7.440 28.362 -8.095 1.00 0.00 N ATOM 743 CA GLY A 46 8.125 27.169 -7.638 1.00 0.00 C ATOM 744 C GLY A 46 9.600 27.200 -8.004 1.00 0.00 C ATOM 745 O GLY A 46 10.067 28.064 -8.749 1.00 0.00 O ATOM 0 H GLY A 46 7.899 28.832 -8.875 1.00 0.00 H new ATOM 0 HA2 GLY A 46 8.019 27.079 -6.557 1.00 0.00 H new ATOM 0 HA3 GLY A 46 7.658 26.288 -8.079 1.00 0.00 H new ATOM 749 N LYS A 47 10.346 26.249 -7.456 1.00 0.00 N ATOM 750 CA LYS A 47 11.719 25.995 -7.867 1.00 0.00 C ATOM 751 C LYS A 47 11.681 24.806 -8.816 1.00 0.00 C ATOM 752 O LYS A 47 11.121 23.763 -8.472 1.00 0.00 O ATOM 753 CB LYS A 47 12.603 25.676 -6.645 1.00 0.00 C ATOM 754 CG LYS A 47 14.107 25.789 -6.958 1.00 0.00 C ATOM 755 CD LYS A 47 14.608 27.242 -7.044 1.00 0.00 C ATOM 756 CE LYS A 47 14.664 27.914 -5.662 1.00 0.00 C ATOM 757 NZ LYS A 47 15.377 29.215 -5.700 1.00 0.00 N ATOM 0 H LYS A 47 10.015 25.632 -6.714 1.00 0.00 H new ATOM 0 HA LYS A 47 12.145 26.872 -8.354 1.00 0.00 H new ATOM 0 HB2 LYS A 47 12.352 26.357 -5.832 1.00 0.00 H new ATOM 0 HB3 LYS A 47 12.383 24.667 -6.295 1.00 0.00 H new ATOM 0 HG2 LYS A 47 14.671 25.263 -6.187 1.00 0.00 H new ATOM 0 HG3 LYS A 47 14.312 25.286 -7.903 1.00 0.00 H new ATOM 0 HD2 LYS A 47 15.600 27.257 -7.495 1.00 0.00 H new ATOM 0 HD3 LYS A 47 13.951 27.814 -7.699 1.00 0.00 H new ATOM 0 HE2 LYS A 47 13.650 28.068 -5.293 1.00 0.00 H new ATOM 0 HE3 LYS A 47 15.162 27.249 -4.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 15.072 29.802 -4.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 16.402 29.051 -5.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 15.157 29.705 -6.590 1.00 0.00 H new ATOM 771 N TRP A 48 12.255 24.956 -10.005 1.00 0.00 N ATOM 772 CA TRP A 48 12.494 23.844 -10.902 1.00 0.00 C ATOM 773 C TRP A 48 13.787 23.227 -10.378 1.00 0.00 C ATOM 774 O TRP A 48 14.865 23.797 -10.555 1.00 0.00 O ATOM 775 CB TRP A 48 12.605 24.335 -12.355 1.00 0.00 C ATOM 776 CG TRP A 48 12.717 23.281 -13.421 1.00 0.00 C ATOM 777 CD1 TRP A 48 12.779 21.945 -13.227 1.00 0.00 C ATOM 778 CD2 TRP A 48 12.758 23.460 -14.872 1.00 0.00 C ATOM 779 NE1 TRP A 48 12.891 21.292 -14.434 1.00 0.00 N ATOM 780 CE2 TRP A 48 12.882 22.178 -15.490 1.00 0.00 C ATOM 781 CE3 TRP A 48 12.677 24.578 -15.731 1.00 0.00 C ATOM 782 CZ2 TRP A 48 12.939 22.017 -16.883 1.00 0.00 C ATOM 783 CZ3 TRP A 48 12.711 24.427 -17.131 1.00 0.00 C ATOM 784 CH2 TRP A 48 12.847 23.151 -17.707 1.00 0.00 C ATOM 0 H TRP A 48 12.566 25.856 -10.370 1.00 0.00 H new ATOM 0 HA TRP A 48 11.686 23.113 -10.921 1.00 0.00 H new ATOM 0 HB2 TRP A 48 11.731 24.948 -12.574 1.00 0.00 H new ATOM 0 HB3 TRP A 48 13.477 24.986 -12.428 1.00 0.00 H new ATOM 0 HD1 TRP A 48 12.745 21.459 -12.263 1.00 0.00 H new ATOM 0 HE1 TRP A 48 12.971 20.280 -14.534 1.00 0.00 H new ATOM 0 HE3 TRP A 48 12.587 25.567 -15.307 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 13.052 21.034 -17.316 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 12.632 25.297 -17.766 1.00 0.00 H new ATOM 0 HH2 TRP A 48 12.881 23.043 -18.781 1.00 0.00 H new ATOM 795 N LYS A 49 13.683 22.101 -9.674 1.00 0.00 N ATOM 796 CA LYS A 49 14.804 21.346 -9.126 1.00 0.00 C ATOM 797 C LYS A 49 15.132 20.262 -10.153 1.00 0.00 C ATOM 798 O LYS A 49 14.932 19.071 -9.909 1.00 0.00 O ATOM 799 CB LYS A 49 14.412 20.786 -7.744 1.00 0.00 C ATOM 800 CG LYS A 49 14.395 21.899 -6.684 1.00 0.00 C ATOM 801 CD LYS A 49 13.822 21.467 -5.327 1.00 0.00 C ATOM 802 CE LYS A 49 14.533 20.249 -4.721 1.00 0.00 C ATOM 803 NZ LYS A 49 14.116 20.012 -3.317 1.00 0.00 N ATOM 0 H LYS A 49 12.781 21.675 -9.463 1.00 0.00 H new ATOM 0 HA LYS A 49 15.692 21.955 -8.960 1.00 0.00 H new ATOM 0 HB2 LYS A 49 13.429 20.319 -7.802 1.00 0.00 H new ATOM 0 HB3 LYS A 49 15.117 20.009 -7.449 1.00 0.00 H new ATOM 0 HG2 LYS A 49 15.413 22.261 -6.537 1.00 0.00 H new ATOM 0 HG3 LYS A 49 13.810 22.737 -7.063 1.00 0.00 H new ATOM 0 HD2 LYS A 49 13.891 22.302 -4.630 1.00 0.00 H new ATOM 0 HD3 LYS A 49 12.763 21.238 -5.445 1.00 0.00 H new ATOM 0 HE2 LYS A 49 14.314 19.365 -5.320 1.00 0.00 H new ATOM 0 HE3 LYS A 49 15.612 20.401 -4.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 14.409 19.058 -3.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 14.565 20.717 -2.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 13.082 20.095 -3.243 1.00 0.00 H new ATOM 817 N LYS A 50 15.534 20.707 -11.346 1.00 0.00 N ATOM 818 CA LYS A 50 15.763 19.857 -12.510 1.00 0.00 C ATOM 819 C LYS A 50 16.744 18.753 -12.135 1.00 0.00 C ATOM 820 O LYS A 50 17.910 19.053 -11.892 1.00 0.00 O ATOM 821 CB LYS A 50 16.268 20.705 -13.689 1.00 0.00 C ATOM 822 CG LYS A 50 16.327 19.875 -14.981 1.00 0.00 C ATOM 823 CD LYS A 50 16.767 20.733 -16.173 1.00 0.00 C ATOM 824 CE LYS A 50 16.780 19.878 -17.448 1.00 0.00 C ATOM 825 NZ LYS A 50 17.206 20.652 -18.642 1.00 0.00 N ATOM 0 H LYS A 50 15.713 21.694 -11.531 1.00 0.00 H new ATOM 0 HA LYS A 50 14.831 19.389 -12.827 1.00 0.00 H new ATOM 0 HB2 LYS A 50 15.610 21.562 -13.833 1.00 0.00 H new ATOM 0 HB3 LYS A 50 17.258 21.099 -13.460 1.00 0.00 H new ATOM 0 HG2 LYS A 50 17.021 19.045 -14.851 1.00 0.00 H new ATOM 0 HG3 LYS A 50 15.347 19.442 -15.183 1.00 0.00 H new ATOM 0 HD2 LYS A 50 16.088 21.577 -16.296 1.00 0.00 H new ATOM 0 HD3 LYS A 50 17.759 21.146 -15.990 1.00 0.00 H new ATOM 0 HE2 LYS A 50 17.452 19.031 -17.308 1.00 0.00 H new ATOM 0 HE3 LYS A 50 15.784 19.470 -17.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 17.199 20.033 -19.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 16.551 21.445 -18.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 18.167 21.020 -18.492 1.00 0.00 H new ATOM 957 N ILE A 58 20.445 17.213 -9.039 1.00 0.00 N ATOM 958 CA ILE A 58 19.586 18.383 -8.891 1.00 0.00 C ATOM 959 C ILE A 58 20.365 19.624 -9.347 1.00 0.00 C ATOM 960 O ILE A 58 21.513 19.842 -8.949 1.00 0.00 O ATOM 961 CB ILE A 58 19.071 18.522 -7.436 1.00 0.00 C ATOM 962 CG1 ILE A 58 18.278 17.282 -6.957 1.00 0.00 C ATOM 963 CG2 ILE A 58 18.214 19.793 -7.254 1.00 0.00 C ATOM 964 CD1 ILE A 58 16.919 17.080 -7.638 1.00 0.00 C ATOM 0 HA ILE A 58 18.701 18.271 -9.517 1.00 0.00 H new ATOM 0 HB ILE A 58 19.963 18.604 -6.815 1.00 0.00 H new ATOM 0 HG12 ILE A 58 18.887 16.393 -7.124 1.00 0.00 H new ATOM 0 HG13 ILE A 58 18.120 17.363 -5.882 1.00 0.00 H new ATOM 0 HG21 ILE A 58 17.871 19.856 -6.221 1.00 0.00 H new ATOM 0 HG22 ILE A 58 18.812 20.672 -7.492 1.00 0.00 H new ATOM 0 HG23 ILE A 58 17.352 19.749 -7.920 1.00 0.00 H new ATOM 0 HD11 ILE A 58 16.440 16.187 -7.236 1.00 0.00 H new ATOM 0 HD12 ILE A 58 16.286 17.947 -7.451 1.00 0.00 H new ATOM 0 HD13 ILE A 58 17.064 16.962 -8.712 1.00 0.00 H new ATOM 976 N GLU A 59 19.701 20.453 -10.141 1.00 0.00 N ATOM 977 CA GLU A 59 20.097 21.789 -10.544 1.00 0.00 C ATOM 978 C GLU A 59 18.852 22.645 -10.285 1.00 0.00 C ATOM 979 O GLU A 59 17.731 22.134 -10.337 1.00 0.00 O ATOM 980 CB GLU A 59 20.551 21.773 -12.011 1.00 0.00 C ATOM 981 CG GLU A 59 20.971 23.154 -12.531 1.00 0.00 C ATOM 982 CD GLU A 59 22.111 23.783 -11.710 1.00 0.00 C ATOM 983 OE1 GLU A 59 21.822 24.446 -10.689 1.00 0.00 O ATOM 984 OE2 GLU A 59 23.296 23.633 -12.087 1.00 0.00 O ATOM 0 H GLU A 59 18.805 20.186 -10.549 1.00 0.00 H new ATOM 0 HA GLU A 59 20.949 22.191 -9.996 1.00 0.00 H new ATOM 0 HB2 GLU A 59 21.387 21.082 -12.118 1.00 0.00 H new ATOM 0 HB3 GLU A 59 19.740 21.390 -12.631 1.00 0.00 H new ATOM 0 HG2 GLU A 59 21.286 23.065 -13.571 1.00 0.00 H new ATOM 0 HG3 GLU A 59 20.108 23.820 -12.515 1.00 0.00 H new ATOM 991 N GLU A 60 19.021 23.931 -9.987 1.00 0.00 N ATOM 992 CA GLU A 60 17.934 24.771 -9.496 1.00 0.00 C ATOM 993 C GLU A 60 17.761 26.012 -10.366 1.00 0.00 C ATOM 994 O GLU A 60 18.735 26.706 -10.672 1.00 0.00 O ATOM 995 CB GLU A 60 18.219 25.171 -8.039 1.00 0.00 C ATOM 996 CG GLU A 60 18.140 23.978 -7.079 1.00 0.00 C ATOM 997 CD GLU A 60 18.410 24.406 -5.625 1.00 0.00 C ATOM 998 OE1 GLU A 60 17.470 24.851 -4.930 1.00 0.00 O ATOM 999 OE2 GLU A 60 19.567 24.290 -5.158 1.00 0.00 O ATOM 0 H GLU A 60 19.913 24.418 -10.079 1.00 0.00 H new ATOM 0 HA GLU A 60 17.004 24.204 -9.542 1.00 0.00 H new ATOM 0 HB2 GLU A 60 19.210 25.620 -7.976 1.00 0.00 H new ATOM 0 HB3 GLU A 60 17.504 25.932 -7.728 1.00 0.00 H new ATOM 0 HG2 GLU A 60 17.154 23.519 -7.147 1.00 0.00 H new ATOM 0 HG3 GLU A 60 18.865 23.221 -7.377 1.00 0.00 H new ATOM 1006 N LYS A 61 16.508 26.325 -10.712 1.00 0.00 N ATOM 1007 CA LYS A 61 16.118 27.579 -11.354 1.00 0.00 C ATOM 1008 C LYS A 61 14.787 28.004 -10.741 1.00 0.00 C ATOM 1009 O LYS A 61 13.936 27.152 -10.486 1.00 0.00 O ATOM 1010 CB LYS A 61 16.031 27.351 -12.875 1.00 0.00 C ATOM 1011 CG LYS A 61 15.695 28.629 -13.664 1.00 0.00 C ATOM 1012 CD LYS A 61 15.967 28.482 -15.171 1.00 0.00 C ATOM 1013 CE LYS A 61 15.137 27.369 -15.833 1.00 0.00 C ATOM 1014 NZ LYS A 61 15.510 27.167 -17.258 1.00 0.00 N ATOM 0 H LYS A 61 15.721 25.697 -10.549 1.00 0.00 H new ATOM 0 HA LYS A 61 16.844 28.376 -11.194 1.00 0.00 H new ATOM 0 HB2 LYS A 61 16.981 26.952 -13.230 1.00 0.00 H new ATOM 0 HB3 LYS A 61 15.272 26.596 -13.079 1.00 0.00 H new ATOM 0 HG2 LYS A 61 14.646 28.881 -13.511 1.00 0.00 H new ATOM 0 HG3 LYS A 61 16.283 29.459 -13.272 1.00 0.00 H new ATOM 0 HD2 LYS A 61 15.752 29.429 -15.666 1.00 0.00 H new ATOM 0 HD3 LYS A 61 17.026 28.275 -15.324 1.00 0.00 H new ATOM 0 HE2 LYS A 61 15.279 26.437 -15.286 1.00 0.00 H new ATOM 0 HE3 LYS A 61 14.078 27.619 -15.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 14.927 26.408 -17.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 15.351 28.048 -17.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 16.514 26.903 -17.320 1.00 0.00 H new ATOM 1028 N THR A 62 14.599 29.292 -10.473 1.00 0.00 N ATOM 1029 CA THR A 62 13.380 29.793 -9.843 1.00 0.00 C ATOM 1030 C THR A 62 12.411 30.183 -10.955 1.00 0.00 C ATOM 1031 O THR A 62 12.795 30.895 -11.888 1.00 0.00 O ATOM 1032 CB THR A 62 13.725 30.959 -8.907 1.00 0.00 C ATOM 1033 OG1 THR A 62 14.843 30.620 -8.103 1.00 0.00 O ATOM 1034 CG2 THR A 62 12.576 31.251 -7.950 1.00 0.00 C ATOM 0 H THR A 62 15.284 30.017 -10.685 1.00 0.00 H new ATOM 0 HA THR A 62 12.902 29.035 -9.223 1.00 0.00 H new ATOM 0 HB THR A 62 13.930 31.826 -9.535 1.00 0.00 H new ATOM 0 HG1 THR A 62 15.058 31.369 -7.509 1.00 0.00 H new ATOM 0 HG21 THR A 62 12.847 32.081 -7.298 1.00 0.00 H new ATOM 0 HG22 THR A 62 11.685 31.514 -8.520 1.00 0.00 H new ATOM 0 HG23 THR A 62 12.372 30.367 -7.346 1.00 0.00 H new ATOM 1042 N VAL A 63 11.164 29.716 -10.884 1.00 0.00 N ATOM 1043 CA VAL A 63 10.230 29.838 -11.990 1.00 0.00 C ATOM 1044 C VAL A 63 8.815 30.124 -11.494 1.00 0.00 C ATOM 1045 O VAL A 63 8.429 29.792 -10.374 1.00 0.00 O ATOM 1046 CB VAL A 63 10.258 28.568 -12.875 1.00 0.00 C ATOM 1047 CG1 VAL A 63 11.626 28.301 -13.523 1.00 0.00 C ATOM 1048 CG2 VAL A 63 9.832 27.290 -12.134 1.00 0.00 C ATOM 0 H VAL A 63 10.781 29.247 -10.063 1.00 0.00 H new ATOM 0 HA VAL A 63 10.545 30.686 -12.599 1.00 0.00 H new ATOM 0 HB VAL A 63 9.527 28.795 -13.651 1.00 0.00 H new ATOM 0 HG11 VAL A 63 11.571 27.396 -14.128 1.00 0.00 H new ATOM 0 HG12 VAL A 63 11.900 29.145 -14.156 1.00 0.00 H new ATOM 0 HG13 VAL A 63 12.378 28.172 -12.745 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.876 26.442 -12.817 1.00 0.00 H new ATOM 0 HG22 VAL A 63 10.504 27.115 -11.294 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.813 27.406 -11.765 1.00 0.00 H new ATOM 1058 N GLU A 64 8.034 30.751 -12.359 1.00 0.00 N ATOM 1059 CA GLU A 64 6.602 30.915 -12.193 1.00 0.00 C ATOM 1060 C GLU A 64 5.987 29.816 -13.054 1.00 0.00 C ATOM 1061 O GLU A 64 6.237 29.763 -14.256 1.00 0.00 O ATOM 1062 CB GLU A 64 6.163 32.324 -12.621 1.00 0.00 C ATOM 1063 CG GLU A 64 4.665 32.535 -12.359 1.00 0.00 C ATOM 1064 CD GLU A 64 4.249 33.999 -12.591 1.00 0.00 C ATOM 1065 OE1 GLU A 64 3.928 34.375 -13.740 1.00 0.00 O ATOM 1066 OE2 GLU A 64 4.222 34.785 -11.617 1.00 0.00 O ATOM 0 H GLU A 64 8.390 31.170 -13.218 1.00 0.00 H new ATOM 0 HA GLU A 64 6.279 30.825 -11.156 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.740 33.070 -12.075 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.375 32.469 -13.680 1.00 0.00 H new ATOM 0 HG2 GLU A 64 4.086 31.884 -13.013 1.00 0.00 H new ATOM 0 HG3 GLU A 64 4.430 32.248 -11.334 1.00 0.00 H new ATOM 1073 N VAL A 65 5.245 28.904 -12.440 1.00 0.00 N ATOM 1074 CA VAL A 65 4.420 27.921 -13.120 1.00 0.00 C ATOM 1075 C VAL A 65 3.214 28.685 -13.657 1.00 0.00 C ATOM 1076 O VAL A 65 2.429 29.223 -12.875 1.00 0.00 O ATOM 1077 CB VAL A 65 4.001 26.803 -12.140 1.00 0.00 C ATOM 1078 CG1 VAL A 65 3.019 25.829 -12.812 1.00 0.00 C ATOM 1079 CG2 VAL A 65 5.227 26.033 -11.615 1.00 0.00 C ATOM 0 H VAL A 65 5.201 28.828 -11.424 1.00 0.00 H new ATOM 0 HA VAL A 65 4.955 27.429 -13.933 1.00 0.00 H new ATOM 0 HB VAL A 65 3.504 27.278 -11.294 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.737 25.050 -12.104 1.00 0.00 H new ATOM 0 HG12 VAL A 65 2.128 26.371 -13.128 1.00 0.00 H new ATOM 0 HG13 VAL A 65 3.495 25.374 -13.681 1.00 0.00 H new ATOM 0 HG21 VAL A 65 4.900 25.253 -10.928 1.00 0.00 H new ATOM 0 HG22 VAL A 65 5.758 25.580 -12.452 1.00 0.00 H new ATOM 0 HG23 VAL A 65 5.892 26.721 -11.093 1.00 0.00 H new ATOM 1089 N LEU A 66 3.072 28.754 -14.979 1.00 0.00 N ATOM 1090 CA LEU A 66 1.948 29.421 -15.627 1.00 0.00 C ATOM 1091 C LEU A 66 0.710 28.525 -15.617 1.00 0.00 C ATOM 1092 O LEU A 66 -0.405 29.044 -15.583 1.00 0.00 O ATOM 1093 CB LEU A 66 2.313 29.808 -17.075 1.00 0.00 C ATOM 1094 CG LEU A 66 3.062 31.147 -17.240 1.00 0.00 C ATOM 1095 CD1 LEU A 66 2.191 32.347 -16.844 1.00 0.00 C ATOM 1096 CD2 LEU A 66 4.380 31.200 -16.462 1.00 0.00 C ATOM 0 H LEU A 66 3.739 28.345 -15.634 1.00 0.00 H new ATOM 0 HA LEU A 66 1.722 30.329 -15.068 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.927 29.014 -17.500 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.396 29.851 -17.663 1.00 0.00 H new ATOM 0 HG LEU A 66 3.296 31.209 -18.303 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.759 33.268 -16.976 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.302 32.375 -17.474 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.893 32.251 -15.800 1.00 0.00 H new ATOM 0 HD21 LEU A 66 4.857 32.167 -16.620 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.181 31.063 -15.399 1.00 0.00 H new ATOM 0 HD23 LEU A 66 5.041 30.408 -16.812 1.00 0.00 H new ATOM 1108 N GLY A 67 0.886 27.201 -15.630 1.00 0.00 N ATOM 1109 CA GLY A 67 -0.185 26.228 -15.581 1.00 0.00 C ATOM 1110 C GLY A 67 0.363 24.859 -15.956 1.00 0.00 C ATOM 1111 O GLY A 67 1.551 24.711 -16.253 1.00 0.00 O ATOM 0 H GLY A 67 1.811 26.773 -15.677 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -0.619 26.198 -14.582 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -0.983 26.513 -16.266 1.00 0.00 H new ATOM 1115 N MET A 68 -0.504 23.853 -15.941 1.00 0.00 N ATOM 1116 CA MET A 68 -0.186 22.531 -16.474 1.00 0.00 C ATOM 1117 C MET A 68 0.082 22.637 -17.978 1.00 0.00 C ATOM 1118 O MET A 68 -0.506 23.477 -18.667 1.00 0.00 O ATOM 1119 CB MET A 68 -1.329 21.540 -16.203 1.00 0.00 C ATOM 1120 CG MET A 68 -1.526 21.216 -14.716 1.00 0.00 C ATOM 1121 SD MET A 68 -0.174 20.296 -13.926 1.00 0.00 S ATOM 1122 CE MET A 68 -0.382 18.668 -14.697 1.00 0.00 C ATOM 0 H MET A 68 -1.447 23.929 -15.560 1.00 0.00 H new ATOM 0 HA MET A 68 0.707 22.157 -15.973 1.00 0.00 H new ATOM 0 HB2 MET A 68 -2.256 21.951 -16.602 1.00 0.00 H new ATOM 0 HB3 MET A 68 -1.132 20.615 -16.744 1.00 0.00 H new ATOM 0 HG2 MET A 68 -1.669 22.151 -14.175 1.00 0.00 H new ATOM 0 HG3 MET A 68 -2.445 20.640 -14.607 1.00 0.00 H new ATOM 0 HE1 MET A 68 0.306 17.958 -14.238 1.00 0.00 H new ATOM 0 HE2 MET A 68 -1.407 18.325 -14.553 1.00 0.00 H new ATOM 0 HE3 MET A 68 -0.170 18.741 -15.764 1.00 0.00 H new ATOM 1132 N ALA A 69 0.965 21.776 -18.486 1.00 0.00 N ATOM 1133 CA ALA A 69 1.243 21.666 -19.913 1.00 0.00 C ATOM 1134 C ALA A 69 0.026 21.088 -20.660 1.00 0.00 C ATOM 1135 O ALA A 69 -0.853 20.501 -20.018 1.00 0.00 O ATOM 1136 CB ALA A 69 2.473 20.777 -20.106 1.00 0.00 C ATOM 0 H ALA A 69 1.510 21.132 -17.912 1.00 0.00 H new ATOM 0 HA ALA A 69 1.441 22.655 -20.326 1.00 0.00 H new ATOM 0 HB1 ALA A 69 2.693 20.686 -21.170 1.00 0.00 H new ATOM 0 HB2 ALA A 69 3.327 21.222 -19.596 1.00 0.00 H new ATOM 0 HB3 ALA A 69 2.277 19.789 -19.690 1.00 0.00 H new ATOM 1142 N PRO A 70 -0.030 21.215 -22.000 1.00 0.00 N ATOM 1143 CA PRO A 70 -1.042 20.567 -22.825 1.00 0.00 C ATOM 1144 C PRO A 70 -1.166 19.064 -22.554 1.00 0.00 C ATOM 1145 O PRO A 70 -0.192 18.386 -22.208 1.00 0.00 O ATOM 1146 CB PRO A 70 -0.630 20.831 -24.277 1.00 0.00 C ATOM 1147 CG PRO A 70 0.148 22.140 -24.185 1.00 0.00 C ATOM 1148 CD PRO A 70 0.856 22.014 -22.838 1.00 0.00 C ATOM 0 HA PRO A 70 -2.027 20.974 -22.596 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -0.015 20.024 -24.674 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -1.497 20.923 -24.931 1.00 0.00 H new ATOM 0 HG2 PRO A 70 0.856 22.249 -25.006 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -0.512 23.007 -24.216 1.00 0.00 H new ATOM 0 HD2 PRO A 70 1.828 21.533 -22.950 1.00 0.00 H new ATOM 0 HD3 PRO A 70 1.034 22.994 -22.396 1.00 0.00 H new ATOM 1156 N ASP A 71 -2.364 18.532 -22.807 1.00 0.00 N ATOM 1157 CA ASP A 71 -2.693 17.120 -22.626 1.00 0.00 C ATOM 1158 C ASP A 71 -1.741 16.191 -23.381 1.00 0.00 C ATOM 1159 O ASP A 71 -1.463 15.096 -22.903 1.00 0.00 O ATOM 1160 CB ASP A 71 -4.146 16.836 -23.027 1.00 0.00 C ATOM 1161 CG ASP A 71 -4.339 16.647 -24.542 1.00 0.00 C ATOM 1162 OD1 ASP A 71 -4.312 17.655 -25.283 1.00 0.00 O ATOM 1163 OD2 ASP A 71 -4.558 15.502 -24.995 1.00 0.00 O ATOM 0 H ASP A 71 -3.149 19.085 -23.151 1.00 0.00 H new ATOM 0 HA ASP A 71 -2.572 16.910 -21.563 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -4.488 15.939 -22.510 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -4.775 17.659 -22.688 1.00 0.00 H new ATOM 1168 N ASP A 72 -1.195 16.633 -24.519 1.00 0.00 N ATOM 1169 CA ASP A 72 -0.291 15.833 -25.344 1.00 0.00 C ATOM 1170 C ASP A 72 0.992 15.459 -24.597 1.00 0.00 C ATOM 1171 O ASP A 72 1.535 14.373 -24.800 1.00 0.00 O ATOM 1172 CB ASP A 72 0.060 16.592 -26.627 1.00 0.00 C ATOM 1173 CG ASP A 72 1.000 15.765 -27.522 1.00 0.00 C ATOM 1174 OD1 ASP A 72 0.543 14.766 -28.121 1.00 0.00 O ATOM 1175 OD2 ASP A 72 2.184 16.140 -27.675 1.00 0.00 O ATOM 0 H ASP A 72 -1.371 17.565 -24.894 1.00 0.00 H new ATOM 0 HA ASP A 72 -0.811 14.908 -25.592 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -0.853 16.829 -27.174 1.00 0.00 H new ATOM 0 HB3 ASP A 72 0.535 17.540 -26.374 1.00 0.00 H new ATOM 1180 N GLU A 73 1.452 16.333 -23.699 1.00 0.00 N ATOM 1181 CA GLU A 73 2.601 16.062 -22.839 1.00 0.00 C ATOM 1182 C GLU A 73 2.119 15.364 -21.570 1.00 0.00 C ATOM 1183 O GLU A 73 2.723 14.386 -21.128 1.00 0.00 O ATOM 1184 CB GLU A 73 3.328 17.372 -22.490 1.00 0.00 C ATOM 1185 CG GLU A 73 4.048 18.016 -23.686 1.00 0.00 C ATOM 1186 CD GLU A 73 5.291 17.220 -24.129 1.00 0.00 C ATOM 1187 OE1 GLU A 73 5.146 16.167 -24.790 1.00 0.00 O ATOM 1188 OE2 GLU A 73 6.427 17.662 -23.842 1.00 0.00 O ATOM 0 H GLU A 73 1.035 17.252 -23.549 1.00 0.00 H new ATOM 0 HA GLU A 73 3.304 15.415 -23.363 1.00 0.00 H new ATOM 0 HB2 GLU A 73 2.606 18.082 -22.087 1.00 0.00 H new ATOM 0 HB3 GLU A 73 4.055 17.175 -21.702 1.00 0.00 H new ATOM 0 HG2 GLU A 73 3.354 18.095 -24.523 1.00 0.00 H new ATOM 0 HG3 GLU A 73 4.346 19.031 -23.422 1.00 0.00 H new ATOM 1195 N CYS A 74 0.988 15.813 -21.020 1.00 0.00 N ATOM 1196 CA CYS A 74 0.416 15.294 -19.783 1.00 0.00 C ATOM 1197 C CYS A 74 -0.160 13.868 -19.893 1.00 0.00 C ATOM 1198 O CYS A 74 -0.808 13.394 -18.963 1.00 0.00 O ATOM 1199 CB CYS A 74 -0.585 16.316 -19.240 1.00 0.00 C ATOM 1200 SG CYS A 74 0.327 17.779 -18.667 1.00 0.00 S ATOM 0 H CYS A 74 0.435 16.564 -21.434 1.00 0.00 H new ATOM 0 HA CYS A 74 1.225 15.168 -19.064 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -1.298 16.595 -20.016 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -1.159 15.884 -18.420 1.00 0.00 H new ATOM 0 HG CYS A 74 -0.153 18.842 -19.241 1.00 0.00 H new ATOM 1206 N LEU A 75 0.070 13.177 -21.011 1.00 0.00 N ATOM 1207 CA LEU A 75 -0.208 11.753 -21.205 1.00 0.00 C ATOM 1208 C LEU A 75 1.022 10.896 -20.870 1.00 0.00 C ATOM 1209 O LEU A 75 0.896 9.679 -20.728 1.00 0.00 O ATOM 1210 CB LEU A 75 -0.568 11.503 -22.683 1.00 0.00 C ATOM 1211 CG LEU A 75 -2.028 11.833 -23.041 1.00 0.00 C ATOM 1212 CD1 LEU A 75 -2.168 11.994 -24.556 1.00 0.00 C ATOM 1213 CD2 LEU A 75 -2.981 10.735 -22.557 1.00 0.00 C ATOM 0 H LEU A 75 0.472 13.613 -21.841 1.00 0.00 H new ATOM 0 HA LEU A 75 -1.030 11.478 -20.544 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.092 12.100 -23.312 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.375 10.457 -22.920 1.00 0.00 H new ATOM 0 HG LEU A 75 -2.294 12.765 -22.542 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.204 12.227 -24.803 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -1.522 12.803 -24.897 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -1.878 11.066 -25.049 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -4.004 10.997 -22.825 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -2.714 9.788 -23.027 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -2.903 10.637 -21.474 1.00 0.00 H new ATOM 1225 N LYS A 76 2.208 11.505 -20.760 1.00 0.00 N ATOM 1226 CA LYS A 76 3.491 10.800 -20.678 1.00 0.00 C ATOM 1227 C LYS A 76 4.057 10.852 -19.261 1.00 0.00 C ATOM 1228 O LYS A 76 4.565 9.853 -18.753 1.00 0.00 O ATOM 1229 CB LYS A 76 4.485 11.463 -21.654 1.00 0.00 C ATOM 1230 CG LYS A 76 3.993 11.571 -23.110 1.00 0.00 C ATOM 1231 CD LYS A 76 4.922 12.479 -23.929 1.00 0.00 C ATOM 1232 CE LYS A 76 4.352 12.691 -25.337 1.00 0.00 C ATOM 1233 NZ LYS A 76 5.099 13.724 -26.092 1.00 0.00 N ATOM 0 H LYS A 76 2.304 12.520 -20.725 1.00 0.00 H new ATOM 0 HA LYS A 76 3.336 9.754 -20.943 1.00 0.00 H new ATOM 0 HB2 LYS A 76 4.716 12.464 -21.289 1.00 0.00 H new ATOM 0 HB3 LYS A 76 5.416 10.896 -21.642 1.00 0.00 H new ATOM 0 HG2 LYS A 76 3.955 10.579 -23.561 1.00 0.00 H new ATOM 0 HG3 LYS A 76 2.978 11.969 -23.128 1.00 0.00 H new ATOM 0 HD2 LYS A 76 5.038 13.440 -23.427 1.00 0.00 H new ATOM 0 HD3 LYS A 76 5.914 12.032 -23.994 1.00 0.00 H new ATOM 0 HE2 LYS A 76 4.382 11.749 -25.885 1.00 0.00 H new ATOM 0 HE3 LYS A 76 3.305 12.983 -25.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 4.746 13.763 -27.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 4.965 14.650 -25.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 6.111 13.485 -26.099 1.00 0.00 H new ATOM 1247 N ASP A 77 3.960 12.017 -18.631 1.00 0.00 N ATOM 1248 CA ASP A 77 4.382 12.350 -17.270 1.00 0.00 C ATOM 1249 C ASP A 77 3.547 13.586 -16.910 1.00 0.00 C ATOM 1250 O ASP A 77 2.803 14.081 -17.764 1.00 0.00 O ATOM 1251 CB ASP A 77 5.893 12.663 -17.237 1.00 0.00 C ATOM 1252 CG ASP A 77 6.545 12.452 -15.859 1.00 0.00 C ATOM 1253 OD1 ASP A 77 6.122 13.088 -14.869 1.00 0.00 O ATOM 1254 OD2 ASP A 77 7.524 11.675 -15.782 1.00 0.00 O ATOM 0 H ASP A 77 3.548 12.825 -19.098 1.00 0.00 H new ATOM 0 HA ASP A 77 4.229 11.533 -16.565 1.00 0.00 H new ATOM 0 HB2 ASP A 77 6.400 12.033 -17.968 1.00 0.00 H new ATOM 0 HB3 ASP A 77 6.046 13.697 -17.546 1.00 0.00 H new ATOM 1259 N MET A 78 3.629 14.117 -15.693 1.00 0.00 N ATOM 1260 CA MET A 78 3.013 15.414 -15.412 1.00 0.00 C ATOM 1261 C MET A 78 3.996 16.510 -15.811 1.00 0.00 C ATOM 1262 O MET A 78 5.178 16.442 -15.470 1.00 0.00 O ATOM 1263 CB MET A 78 2.585 15.518 -13.947 1.00 0.00 C ATOM 1264 CG MET A 78 1.386 14.621 -13.608 1.00 0.00 C ATOM 1265 SD MET A 78 -0.209 15.070 -14.361 1.00 0.00 S ATOM 1266 CE MET A 78 -0.089 14.329 -16.011 1.00 0.00 C ATOM 0 H MET A 78 4.104 13.683 -14.901 1.00 0.00 H new ATOM 0 HA MET A 78 2.101 15.530 -15.997 1.00 0.00 H new ATOM 0 HB2 MET A 78 3.426 15.248 -13.308 1.00 0.00 H new ATOM 0 HB3 MET A 78 2.332 16.554 -13.720 1.00 0.00 H new ATOM 0 HG2 MET A 78 1.629 13.601 -13.907 1.00 0.00 H new ATOM 0 HG3 MET A 78 1.261 14.614 -12.525 1.00 0.00 H new ATOM 0 HE1 MET A 78 0.040 15.116 -16.755 1.00 0.00 H new ATOM 0 HE2 MET A 78 0.766 13.654 -16.045 1.00 0.00 H new ATOM 0 HE3 MET A 78 -1.000 13.771 -16.227 1.00 0.00 H new ATOM 1276 N TYR A 79 3.505 17.544 -16.499 1.00 0.00 N ATOM 1277 CA TYR A 79 4.311 18.646 -17.008 1.00 0.00 C ATOM 1278 C TYR A 79 3.583 19.965 -16.752 1.00 0.00 C ATOM 1279 O TYR A 79 2.356 20.003 -16.631 1.00 0.00 O ATOM 1280 CB TYR A 79 4.561 18.477 -18.517 1.00 0.00 C ATOM 1281 CG TYR A 79 5.527 17.386 -18.929 1.00 0.00 C ATOM 1282 CD1 TYR A 79 6.900 17.671 -19.057 1.00 0.00 C ATOM 1283 CD2 TYR A 79 5.041 16.114 -19.282 1.00 0.00 C ATOM 1284 CE1 TYR A 79 7.786 16.689 -19.529 1.00 0.00 C ATOM 1285 CE2 TYR A 79 5.920 15.130 -19.764 1.00 0.00 C ATOM 1286 CZ TYR A 79 7.301 15.409 -19.881 1.00 0.00 C ATOM 1287 OH TYR A 79 8.172 14.462 -20.334 1.00 0.00 O ATOM 0 H TYR A 79 2.514 17.636 -16.720 1.00 0.00 H new ATOM 0 HA TYR A 79 5.272 18.649 -16.494 1.00 0.00 H new ATOM 0 HB2 TYR A 79 3.604 18.284 -19.001 1.00 0.00 H new ATOM 0 HB3 TYR A 79 4.931 19.425 -18.909 1.00 0.00 H new ATOM 0 HD1 TYR A 79 7.273 18.649 -18.791 1.00 0.00 H new ATOM 0 HD2 TYR A 79 3.989 15.893 -19.182 1.00 0.00 H new ATOM 0 HE1 TYR A 79 8.839 16.912 -19.623 1.00 0.00 H new ATOM 0 HE2 TYR A 79 5.540 14.159 -20.046 1.00 0.00 H new ATOM 0 HH TYR A 79 7.683 13.636 -20.532 1.00 0.00 H new ATOM 1297 N VAL A 80 4.349 21.049 -16.718 1.00 0.00 N ATOM 1298 CA VAL A 80 3.894 22.392 -16.398 1.00 0.00 C ATOM 1299 C VAL A 80 4.626 23.365 -17.312 1.00 0.00 C ATOM 1300 O VAL A 80 5.803 23.168 -17.615 1.00 0.00 O ATOM 1301 CB VAL A 80 4.151 22.717 -14.907 1.00 0.00 C ATOM 1302 CG1 VAL A 80 2.997 22.227 -14.026 1.00 0.00 C ATOM 1303 CG2 VAL A 80 5.467 22.155 -14.342 1.00 0.00 C ATOM 0 H VAL A 80 5.348 21.012 -16.922 1.00 0.00 H new ATOM 0 HA VAL A 80 2.819 22.476 -16.558 1.00 0.00 H new ATOM 0 HB VAL A 80 4.228 23.804 -14.881 1.00 0.00 H new ATOM 0 HG11 VAL A 80 3.206 22.470 -12.984 1.00 0.00 H new ATOM 0 HG12 VAL A 80 2.072 22.715 -14.333 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.891 21.147 -14.133 1.00 0.00 H new ATOM 0 HG21 VAL A 80 5.560 22.433 -13.292 1.00 0.00 H new ATOM 0 HG22 VAL A 80 5.467 21.069 -14.431 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.308 22.565 -14.902 1.00 0.00 H new ATOM 1313 N GLU A 81 3.931 24.402 -17.767 1.00 0.00 N ATOM 1314 CA GLU A 81 4.556 25.518 -18.462 1.00 0.00 C ATOM 1315 C GLU A 81 5.142 26.419 -17.378 1.00 0.00 C ATOM 1316 O GLU A 81 4.444 26.737 -16.410 1.00 0.00 O ATOM 1317 CB GLU A 81 3.532 26.288 -19.308 1.00 0.00 C ATOM 1318 CG GLU A 81 3.041 25.459 -20.502 1.00 0.00 C ATOM 1319 CD GLU A 81 2.141 26.290 -21.433 1.00 0.00 C ATOM 1320 OE1 GLU A 81 0.924 26.412 -21.168 1.00 0.00 O ATOM 1321 OE2 GLU A 81 2.639 26.818 -22.454 1.00 0.00 O ATOM 0 H GLU A 81 2.920 24.491 -17.664 1.00 0.00 H new ATOM 0 HA GLU A 81 5.325 25.167 -19.150 1.00 0.00 H new ATOM 0 HB2 GLU A 81 2.682 26.567 -18.685 1.00 0.00 H new ATOM 0 HB3 GLU A 81 3.981 27.214 -19.668 1.00 0.00 H new ATOM 0 HG2 GLU A 81 3.897 25.083 -21.062 1.00 0.00 H new ATOM 0 HG3 GLU A 81 2.490 24.590 -20.141 1.00 0.00 H new ATOM 1328 N VAL A 82 6.403 26.829 -17.514 1.00 0.00 N ATOM 1329 CA VAL A 82 7.107 27.582 -16.479 1.00 0.00 C ATOM 1330 C VAL A 82 7.915 28.716 -17.114 1.00 0.00 C ATOM 1331 O VAL A 82 8.416 28.562 -18.225 1.00 0.00 O ATOM 1332 CB VAL A 82 7.975 26.645 -15.603 1.00 0.00 C ATOM 1333 CG1 VAL A 82 7.188 25.454 -15.036 1.00 0.00 C ATOM 1334 CG2 VAL A 82 9.219 26.086 -16.312 1.00 0.00 C ATOM 0 H VAL A 82 6.965 26.648 -18.346 1.00 0.00 H new ATOM 0 HA VAL A 82 6.378 28.038 -15.809 1.00 0.00 H new ATOM 0 HB VAL A 82 8.299 27.301 -14.795 1.00 0.00 H new ATOM 0 HG11 VAL A 82 7.851 24.835 -14.431 1.00 0.00 H new ATOM 0 HG12 VAL A 82 6.369 25.821 -14.417 1.00 0.00 H new ATOM 0 HG13 VAL A 82 6.785 24.860 -15.857 1.00 0.00 H new ATOM 0 HG21 VAL A 82 9.769 25.441 -15.627 1.00 0.00 H new ATOM 0 HG22 VAL A 82 8.912 25.511 -17.185 1.00 0.00 H new ATOM 0 HG23 VAL A 82 9.859 26.910 -16.627 1.00 0.00 H new ATOM 1344 N ALA A 83 8.078 29.842 -16.421 1.00 0.00 N ATOM 1345 CA ALA A 83 8.797 31.012 -16.914 1.00 0.00 C ATOM 1346 C ALA A 83 9.813 31.441 -15.861 1.00 0.00 C ATOM 1347 O ALA A 83 9.519 31.416 -14.667 1.00 0.00 O ATOM 1348 CB ALA A 83 7.800 32.134 -17.207 1.00 0.00 C ATOM 0 H ALA A 83 7.705 29.967 -15.480 1.00 0.00 H new ATOM 0 HA ALA A 83 9.325 30.777 -17.838 1.00 0.00 H new ATOM 0 HB1 ALA A 83 8.335 33.009 -17.575 1.00 0.00 H new ATOM 0 HB2 ALA A 83 7.088 31.800 -17.961 1.00 0.00 H new ATOM 0 HB3 ALA A 83 7.266 32.394 -16.293 1.00 0.00 H new ATOM 1354 N ASP A 84 11.018 31.800 -16.295 1.00 0.00 N ATOM 1355 CA ASP A 84 12.143 32.094 -15.406 1.00 0.00 C ATOM 1356 C ASP A 84 11.952 33.424 -14.673 1.00 0.00 C ATOM 1357 O ASP A 84 11.859 34.480 -15.301 1.00 0.00 O ATOM 1358 CB ASP A 84 13.434 32.120 -16.232 1.00 0.00 C ATOM 1359 CG ASP A 84 14.592 32.807 -15.500 1.00 0.00 C ATOM 1360 OD1 ASP A 84 15.034 32.294 -14.450 1.00 0.00 O ATOM 1361 OD2 ASP A 84 15.050 33.856 -16.004 1.00 0.00 O ATOM 0 H ASP A 84 11.245 31.897 -17.285 1.00 0.00 H new ATOM 0 HA ASP A 84 12.201 31.314 -14.647 1.00 0.00 H new ATOM 0 HB2 ASP A 84 13.722 31.098 -16.480 1.00 0.00 H new ATOM 0 HB3 ASP A 84 13.248 32.637 -17.174 1.00 0.00 H new ATOM 1366 N ILE A 85 11.953 33.379 -13.339 1.00 0.00 N ATOM 1367 CA ILE A 85 11.918 34.547 -12.460 1.00 0.00 C ATOM 1368 C ILE A 85 13.375 35.007 -12.275 1.00 0.00 C ATOM 1369 O ILE A 85 13.948 34.947 -11.184 1.00 0.00 O ATOM 1370 CB ILE A 85 11.168 34.266 -11.132 1.00 0.00 C ATOM 1371 CG1 ILE A 85 9.783 33.614 -11.352 1.00 0.00 C ATOM 1372 CG2 ILE A 85 10.958 35.581 -10.351 1.00 0.00 C ATOM 1373 CD1 ILE A 85 9.119 33.161 -10.045 1.00 0.00 C ATOM 0 H ILE A 85 11.979 32.498 -12.825 1.00 0.00 H new ATOM 0 HA ILE A 85 11.339 35.356 -12.906 1.00 0.00 H new ATOM 0 HB ILE A 85 11.792 33.570 -10.571 1.00 0.00 H new ATOM 0 HG12 ILE A 85 9.129 34.325 -11.858 1.00 0.00 H new ATOM 0 HG13 ILE A 85 9.893 32.755 -12.014 1.00 0.00 H new ATOM 0 HG21 ILE A 85 10.430 35.371 -9.421 1.00 0.00 H new ATOM 0 HG22 ILE A 85 11.926 36.029 -10.126 1.00 0.00 H new ATOM 0 HG23 ILE A 85 10.369 36.272 -10.954 1.00 0.00 H new ATOM 0 HD11 ILE A 85 8.151 32.712 -10.265 1.00 0.00 H new ATOM 0 HD12 ILE A 85 9.755 32.428 -9.549 1.00 0.00 H new ATOM 0 HD13 ILE A 85 8.979 34.021 -9.391 1.00 0.00 H new ATOM 1457 N VAL A 92 9.231 31.356 -22.098 1.00 0.00 N ATOM 1458 CA VAL A 92 8.548 30.318 -21.329 1.00 0.00 C ATOM 1459 C VAL A 92 8.996 28.921 -21.809 1.00 0.00 C ATOM 1460 O VAL A 92 9.204 28.691 -23.006 1.00 0.00 O ATOM 1461 CB VAL A 92 7.015 30.518 -21.435 1.00 0.00 C ATOM 1462 CG1 VAL A 92 6.229 29.645 -20.445 1.00 0.00 C ATOM 1463 CG2 VAL A 92 6.586 31.979 -21.199 1.00 0.00 C ATOM 0 HA VAL A 92 8.817 30.394 -20.276 1.00 0.00 H new ATOM 0 HB VAL A 92 6.780 30.222 -22.457 1.00 0.00 H new ATOM 0 HG11 VAL A 92 5.161 29.829 -20.566 1.00 0.00 H new ATOM 0 HG12 VAL A 92 6.441 28.594 -20.639 1.00 0.00 H new ATOM 0 HG13 VAL A 92 6.526 29.893 -19.426 1.00 0.00 H new ATOM 0 HG21 VAL A 92 5.502 32.059 -21.286 1.00 0.00 H new ATOM 0 HG22 VAL A 92 6.894 32.292 -20.201 1.00 0.00 H new ATOM 0 HG23 VAL A 92 7.058 32.621 -21.943 1.00 0.00 H new ATOM 1473 N TYR A 93 9.103 27.988 -20.865 1.00 0.00 N ATOM 1474 CA TYR A 93 9.561 26.616 -21.037 1.00 0.00 C ATOM 1475 C TYR A 93 8.449 25.650 -20.608 1.00 0.00 C ATOM 1476 O TYR A 93 7.390 26.064 -20.130 1.00 0.00 O ATOM 1477 CB TYR A 93 10.789 26.362 -20.136 1.00 0.00 C ATOM 1478 CG TYR A 93 11.917 27.375 -20.179 1.00 0.00 C ATOM 1479 CD1 TYR A 93 12.955 27.239 -21.121 1.00 0.00 C ATOM 1480 CD2 TYR A 93 11.967 28.406 -19.220 1.00 0.00 C ATOM 1481 CE1 TYR A 93 14.044 28.128 -21.103 1.00 0.00 C ATOM 1482 CE2 TYR A 93 13.051 29.301 -19.199 1.00 0.00 C ATOM 1483 CZ TYR A 93 14.097 29.162 -20.141 1.00 0.00 C ATOM 1484 OH TYR A 93 15.183 29.983 -20.095 1.00 0.00 O ATOM 0 H TYR A 93 8.855 28.187 -19.896 1.00 0.00 H new ATOM 0 HA TYR A 93 9.821 26.458 -22.084 1.00 0.00 H new ATOM 0 HB2 TYR A 93 10.440 26.292 -19.106 1.00 0.00 H new ATOM 0 HB3 TYR A 93 11.202 25.388 -20.399 1.00 0.00 H new ATOM 0 HD1 TYR A 93 12.914 26.451 -21.858 1.00 0.00 H new ATOM 0 HD2 TYR A 93 11.170 28.509 -18.499 1.00 0.00 H new ATOM 0 HE1 TYR A 93 14.840 28.021 -21.825 1.00 0.00 H new ATOM 0 HE2 TYR A 93 13.085 30.093 -18.465 1.00 0.00 H new ATOM 0 HH TYR A 93 15.065 30.642 -19.379 1.00 0.00 H new ATOM 1494 N THR A 94 8.739 24.355 -20.702 1.00 0.00 N ATOM 1495 CA THR A 94 7.919 23.292 -20.138 1.00 0.00 C ATOM 1496 C THR A 94 8.860 22.454 -19.271 1.00 0.00 C ATOM 1497 O THR A 94 9.975 22.130 -19.693 1.00 0.00 O ATOM 1498 CB THR A 94 7.211 22.473 -21.236 1.00 0.00 C ATOM 1499 OG1 THR A 94 6.719 23.309 -22.271 1.00 0.00 O ATOM 1500 CG2 THR A 94 6.022 21.694 -20.667 1.00 0.00 C ATOM 0 H THR A 94 9.569 24.010 -21.183 1.00 0.00 H new ATOM 0 HA THR A 94 7.103 23.688 -19.534 1.00 0.00 H new ATOM 0 HB THR A 94 7.957 21.786 -21.634 1.00 0.00 H new ATOM 0 HG1 THR A 94 6.277 22.760 -22.952 1.00 0.00 H new ATOM 0 HG21 THR A 94 5.543 21.127 -21.465 1.00 0.00 H new ATOM 0 HG22 THR A 94 6.372 21.009 -19.894 1.00 0.00 H new ATOM 0 HG23 THR A 94 5.303 22.391 -20.236 1.00 0.00 H new ATOM 1508 N ALA A 95 8.420 22.135 -18.057 1.00 0.00 N ATOM 1509 CA ALA A 95 9.169 21.388 -17.061 1.00 0.00 C ATOM 1510 C ALA A 95 8.310 20.215 -16.613 1.00 0.00 C ATOM 1511 O ALA A 95 7.082 20.270 -16.691 1.00 0.00 O ATOM 1512 CB ALA A 95 9.498 22.304 -15.877 1.00 0.00 C ATOM 0 H ALA A 95 7.492 22.403 -17.730 1.00 0.00 H new ATOM 0 HA ALA A 95 10.107 21.019 -17.475 1.00 0.00 H new ATOM 0 HB1 ALA A 95 10.060 21.744 -15.129 1.00 0.00 H new ATOM 0 HB2 ALA A 95 10.096 23.147 -16.224 1.00 0.00 H new ATOM 0 HB3 ALA A 95 8.573 22.673 -15.434 1.00 0.00 H new ATOM 1518 N LYS A 96 8.942 19.150 -16.125 1.00 0.00 N ATOM 1519 CA LYS A 96 8.224 18.057 -15.497 1.00 0.00 C ATOM 1520 C LYS A 96 7.739 18.578 -14.153 1.00 0.00 C ATOM 1521 O LYS A 96 8.522 19.164 -13.404 1.00 0.00 O ATOM 1522 CB LYS A 96 9.164 16.859 -15.293 1.00 0.00 C ATOM 1523 CG LYS A 96 9.596 16.182 -16.605 1.00 0.00 C ATOM 1524 CD LYS A 96 10.854 15.324 -16.400 1.00 0.00 C ATOM 1525 CE LYS A 96 12.117 16.205 -16.411 1.00 0.00 C ATOM 1526 NZ LYS A 96 13.245 15.590 -15.673 1.00 0.00 N ATOM 0 H LYS A 96 9.954 19.026 -16.155 1.00 0.00 H new ATOM 0 HA LYS A 96 7.390 17.722 -16.114 1.00 0.00 H new ATOM 0 HB2 LYS A 96 10.052 17.193 -14.757 1.00 0.00 H new ATOM 0 HB3 LYS A 96 8.668 16.123 -14.661 1.00 0.00 H new ATOM 0 HG2 LYS A 96 8.784 15.558 -16.980 1.00 0.00 H new ATOM 0 HG3 LYS A 96 9.790 16.941 -17.362 1.00 0.00 H new ATOM 0 HD2 LYS A 96 10.786 14.789 -15.453 1.00 0.00 H new ATOM 0 HD3 LYS A 96 10.921 14.573 -17.187 1.00 0.00 H new ATOM 0 HE2 LYS A 96 12.419 16.389 -17.442 1.00 0.00 H new ATOM 0 HE3 LYS A 96 11.884 17.174 -15.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 14.023 16.276 -15.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 12.928 15.314 -14.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 13.577 14.748 -16.185 1.00 0.00 H new ATOM 1540 N LEU A 97 6.484 18.314 -13.802 1.00 0.00 N ATOM 1541 CA LEU A 97 6.010 18.564 -12.440 1.00 0.00 C ATOM 1542 C LEU A 97 6.814 17.678 -11.474 1.00 0.00 C ATOM 1543 O LEU A 97 7.061 18.053 -10.332 1.00 0.00 O ATOM 1544 CB LEU A 97 4.505 18.275 -12.338 1.00 0.00 C ATOM 1545 CG LEU A 97 3.887 18.641 -10.971 1.00 0.00 C ATOM 1546 CD1 LEU A 97 3.976 20.142 -10.676 1.00 0.00 C ATOM 1547 CD2 LEU A 97 2.418 18.219 -10.957 1.00 0.00 C ATOM 0 H LEU A 97 5.781 17.930 -14.433 1.00 0.00 H new ATOM 0 HA LEU A 97 6.159 19.611 -12.176 1.00 0.00 H new ATOM 0 HB2 LEU A 97 3.985 18.828 -13.120 1.00 0.00 H new ATOM 0 HB3 LEU A 97 4.335 17.216 -12.530 1.00 0.00 H new ATOM 0 HG LEU A 97 4.453 18.116 -10.202 1.00 0.00 H new ATOM 0 HD11 LEU A 97 3.528 20.349 -9.704 1.00 0.00 H new ATOM 0 HD12 LEU A 97 5.022 20.450 -10.667 1.00 0.00 H new ATOM 0 HD13 LEU A 97 3.441 20.697 -11.447 1.00 0.00 H new ATOM 0 HD21 LEU A 97 1.975 18.475 -9.994 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.883 18.738 -11.752 1.00 0.00 H new ATOM 0 HD23 LEU A 97 2.347 17.143 -11.115 1.00 0.00 H new ATOM 1559 N SER A 98 7.293 16.536 -11.978 1.00 0.00 N ATOM 1560 CA SER A 98 8.180 15.589 -11.312 1.00 0.00 C ATOM 1561 C SER A 98 9.585 16.159 -11.029 1.00 0.00 C ATOM 1562 O SER A 98 10.418 15.459 -10.449 1.00 0.00 O ATOM 1563 CB SER A 98 8.233 14.333 -12.200 1.00 0.00 C ATOM 1564 OG SER A 98 6.903 13.929 -12.477 1.00 0.00 O ATOM 0 H SER A 98 7.054 16.233 -12.922 1.00 0.00 H new ATOM 0 HA SER A 98 7.788 15.353 -10.323 1.00 0.00 H new ATOM 0 HB2 SER A 98 8.766 14.545 -13.127 1.00 0.00 H new ATOM 0 HB3 SER A 98 8.776 13.534 -11.695 1.00 0.00 H new ATOM 0 HG SER A 98 6.869 13.496 -13.356 1.00 0.00 H new ATOM 1570 N ASP A 99 9.852 17.415 -11.409 1.00 0.00 N ATOM 1571 CA ASP A 99 11.110 18.129 -11.187 1.00 0.00 C ATOM 1572 C ASP A 99 10.824 19.495 -10.536 1.00 0.00 C ATOM 1573 O ASP A 99 11.718 20.332 -10.442 1.00 0.00 O ATOM 1574 CB ASP A 99 11.863 18.322 -12.522 1.00 0.00 C ATOM 1575 CG ASP A 99 12.661 17.116 -13.012 1.00 0.00 C ATOM 1576 OD1 ASP A 99 12.124 15.992 -13.129 1.00 0.00 O ATOM 1577 OD2 ASP A 99 13.837 17.296 -13.393 1.00 0.00 O ATOM 0 H ASP A 99 9.164 17.984 -11.902 1.00 0.00 H new ATOM 0 HA ASP A 99 11.738 17.539 -10.519 1.00 0.00 H new ATOM 0 HB2 ASP A 99 11.139 18.592 -13.291 1.00 0.00 H new ATOM 0 HB3 ASP A 99 12.544 19.166 -12.415 1.00 0.00 H new ATOM 1582 N ILE A 100 9.595 19.762 -10.085 1.00 0.00 N ATOM 1583 CA ILE A 100 9.167 21.059 -9.559 1.00 0.00 C ATOM 1584 C ILE A 100 8.806 20.896 -8.086 1.00 0.00 C ATOM 1585 O ILE A 100 8.332 19.846 -7.645 1.00 0.00 O ATOM 1586 CB ILE A 100 8.013 21.615 -10.437 1.00 0.00 C ATOM 1587 CG1 ILE A 100 8.605 22.352 -11.658 1.00 0.00 C ATOM 1588 CG2 ILE A 100 6.961 22.485 -9.717 1.00 0.00 C ATOM 1589 CD1 ILE A 100 8.896 23.846 -11.478 1.00 0.00 C ATOM 0 H ILE A 100 8.852 19.063 -10.076 1.00 0.00 H new ATOM 0 HA ILE A 100 9.967 21.798 -9.607 1.00 0.00 H new ATOM 0 HB ILE A 100 7.443 20.739 -10.746 1.00 0.00 H new ATOM 0 HG12 ILE A 100 9.533 21.855 -11.940 1.00 0.00 H new ATOM 0 HG13 ILE A 100 7.915 22.237 -12.494 1.00 0.00 H new ATOM 0 HG21 ILE A 100 6.208 22.813 -10.434 1.00 0.00 H new ATOM 0 HG22 ILE A 100 6.483 21.901 -8.930 1.00 0.00 H new ATOM 0 HG23 ILE A 100 7.448 23.356 -9.278 1.00 0.00 H new ATOM 0 HD11 ILE A 100 9.308 24.250 -12.403 1.00 0.00 H new ATOM 0 HD12 ILE A 100 7.972 24.370 -11.233 1.00 0.00 H new ATOM 0 HD13 ILE A 100 9.615 23.982 -10.670 1.00 0.00 H new ATOM 1601 N GLU A 101 9.007 21.979 -7.341 1.00 0.00 N ATOM 1602 CA GLU A 101 8.636 22.101 -5.940 1.00 0.00 C ATOM 1603 C GLU A 101 8.020 23.490 -5.764 1.00 0.00 C ATOM 1604 O GLU A 101 8.660 24.495 -6.075 1.00 0.00 O ATOM 1605 CB GLU A 101 9.886 21.880 -5.074 1.00 0.00 C ATOM 1606 CG GLU A 101 9.550 21.804 -3.579 1.00 0.00 C ATOM 1607 CD GLU A 101 10.810 21.552 -2.734 1.00 0.00 C ATOM 1608 OE1 GLU A 101 11.423 20.466 -2.855 1.00 0.00 O ATOM 1609 OE2 GLU A 101 11.195 22.432 -1.931 1.00 0.00 O ATOM 0 H GLU A 101 9.447 22.822 -7.711 1.00 0.00 H new ATOM 0 HA GLU A 101 7.906 21.355 -5.628 1.00 0.00 H new ATOM 0 HB2 GLU A 101 10.380 20.958 -5.381 1.00 0.00 H new ATOM 0 HB3 GLU A 101 10.592 22.692 -5.245 1.00 0.00 H new ATOM 0 HG2 GLU A 101 9.078 22.734 -3.263 1.00 0.00 H new ATOM 0 HG3 GLU A 101 8.828 21.005 -3.407 1.00 0.00 H new ATOM 1616 N ALA A 102 6.758 23.554 -5.337 1.00 0.00 N ATOM 1617 CA ALA A 102 6.023 24.810 -5.234 1.00 0.00 C ATOM 1618 C ALA A 102 6.512 25.625 -4.032 1.00 0.00 C ATOM 1619 O ALA A 102 6.892 25.060 -3.003 1.00 0.00 O ATOM 1620 CB ALA A 102 4.527 24.506 -5.118 1.00 0.00 C ATOM 0 H ALA A 102 6.219 22.736 -5.054 1.00 0.00 H new ATOM 0 HA ALA A 102 6.198 25.408 -6.129 1.00 0.00 H new ATOM 0 HB1 ALA A 102 3.971 25.440 -5.041 1.00 0.00 H new ATOM 0 HB2 ALA A 102 4.197 23.959 -6.002 1.00 0.00 H new ATOM 0 HB3 ALA A 102 4.346 23.902 -4.229 1.00 0.00 H new ATOM 1626 N ILE A 103 6.449 26.953 -4.151 1.00 0.00 N ATOM 1627 CA ILE A 103 6.886 27.906 -3.135 1.00 0.00 C ATOM 1628 C ILE A 103 5.684 28.772 -2.745 1.00 0.00 C ATOM 1629 O ILE A 103 5.055 29.393 -3.602 1.00 0.00 O ATOM 1630 CB ILE A 103 8.060 28.762 -3.675 1.00 0.00 C ATOM 1631 CG1 ILE A 103 9.307 27.905 -4.001 1.00 0.00 C ATOM 1632 CG2 ILE A 103 8.451 29.868 -2.675 1.00 0.00 C ATOM 1633 CD1 ILE A 103 10.363 28.668 -4.812 1.00 0.00 C ATOM 0 H ILE A 103 6.080 27.407 -4.986 1.00 0.00 H new ATOM 0 HA ILE A 103 7.252 27.385 -2.250 1.00 0.00 H new ATOM 0 HB ILE A 103 7.705 29.218 -4.599 1.00 0.00 H new ATOM 0 HG12 ILE A 103 9.754 27.555 -3.070 1.00 0.00 H new ATOM 0 HG13 ILE A 103 8.998 27.021 -4.558 1.00 0.00 H new ATOM 0 HG21 ILE A 103 9.277 30.451 -3.082 1.00 0.00 H new ATOM 0 HG22 ILE A 103 7.596 30.521 -2.502 1.00 0.00 H new ATOM 0 HG23 ILE A 103 8.757 29.415 -1.732 1.00 0.00 H new ATOM 0 HD11 ILE A 103 11.213 28.014 -5.009 1.00 0.00 H new ATOM 0 HD12 ILE A 103 9.930 28.995 -5.757 1.00 0.00 H new ATOM 0 HD13 ILE A 103 10.698 29.538 -4.246 1.00 0.00 H new ATOM 1645 N ASP A 104 5.430 28.853 -1.433 1.00 0.00 N ATOM 1646 CA ASP A 104 4.462 29.755 -0.795 1.00 0.00 C ATOM 1647 C ASP A 104 3.060 29.711 -1.432 1.00 0.00 C ATOM 1648 O ASP A 104 2.362 30.724 -1.531 1.00 0.00 O ATOM 1649 CB ASP A 104 5.057 31.172 -0.693 1.00 0.00 C ATOM 1650 CG ASP A 104 4.213 32.114 0.186 1.00 0.00 C ATOM 1651 OD1 ASP A 104 3.825 31.726 1.312 1.00 0.00 O ATOM 1652 OD2 ASP A 104 3.987 33.280 -0.213 1.00 0.00 O ATOM 0 H ASP A 104 5.916 28.265 -0.756 1.00 0.00 H new ATOM 0 HA ASP A 104 4.287 29.395 0.219 1.00 0.00 H new ATOM 0 HB2 ASP A 104 6.066 31.109 -0.285 1.00 0.00 H new ATOM 0 HB3 ASP A 104 5.144 31.597 -1.693 1.00 0.00 H new ATOM 1657 N VAL A 105 2.651 28.531 -1.904 1.00 0.00 N ATOM 1658 CA VAL A 105 1.341 28.319 -2.518 1.00 0.00 C ATOM 1659 C VAL A 105 0.266 28.046 -1.455 1.00 0.00 C ATOM 1660 O VAL A 105 0.564 27.927 -0.261 1.00 0.00 O ATOM 1661 CB VAL A 105 1.421 27.199 -3.573 1.00 0.00 C ATOM 1662 CG1 VAL A 105 2.339 27.616 -4.722 1.00 0.00 C ATOM 1663 CG2 VAL A 105 1.878 25.845 -3.013 1.00 0.00 C ATOM 0 H VAL A 105 3.226 27.689 -1.870 1.00 0.00 H new ATOM 0 HA VAL A 105 1.043 29.233 -3.032 1.00 0.00 H new ATOM 0 HB VAL A 105 0.402 27.057 -3.932 1.00 0.00 H new ATOM 0 HG11 VAL A 105 2.386 26.815 -5.460 1.00 0.00 H new ATOM 0 HG12 VAL A 105 1.948 28.519 -5.191 1.00 0.00 H new ATOM 0 HG13 VAL A 105 3.339 27.812 -4.336 1.00 0.00 H new ATOM 0 HG21 VAL A 105 1.908 25.110 -3.817 1.00 0.00 H new ATOM 0 HG22 VAL A 105 2.872 25.948 -2.578 1.00 0.00 H new ATOM 0 HG23 VAL A 105 1.178 25.514 -2.245 1.00 0.00 H new ATOM 1673 N ASP A 106 -0.993 27.943 -1.894 1.00 0.00 N ATOM 1674 CA ASP A 106 -2.092 27.483 -1.047 1.00 0.00 C ATOM 1675 C ASP A 106 -1.891 26.013 -0.690 1.00 0.00 C ATOM 1676 O ASP A 106 -1.181 25.276 -1.374 1.00 0.00 O ATOM 1677 CB ASP A 106 -3.440 27.632 -1.756 1.00 0.00 C ATOM 1678 CG ASP A 106 -4.632 27.405 -0.814 1.00 0.00 C ATOM 1679 OD1 ASP A 106 -4.978 28.328 -0.043 1.00 0.00 O ATOM 1680 OD2 ASP A 106 -5.184 26.282 -0.803 1.00 0.00 O ATOM 0 H ASP A 106 -1.276 28.177 -2.846 1.00 0.00 H new ATOM 0 HA ASP A 106 -2.095 28.097 -0.146 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -3.510 28.629 -2.190 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -3.493 26.921 -2.581 1.00 0.00 H new ATOM 1685 N ASP A 107 -2.587 25.576 0.348 1.00 0.00 N ATOM 1686 CA ASP A 107 -2.543 24.213 0.863 1.00 0.00 C ATOM 1687 C ASP A 107 -3.010 23.210 -0.186 1.00 0.00 C ATOM 1688 O ASP A 107 -2.404 22.151 -0.313 1.00 0.00 O ATOM 1689 CB ASP A 107 -3.414 24.104 2.117 1.00 0.00 C ATOM 1690 CG ASP A 107 -3.447 22.661 2.650 1.00 0.00 C ATOM 1691 OD1 ASP A 107 -2.443 22.213 3.249 1.00 0.00 O ATOM 1692 OD2 ASP A 107 -4.499 21.994 2.530 1.00 0.00 O ATOM 0 H ASP A 107 -3.220 26.179 0.874 1.00 0.00 H new ATOM 0 HA ASP A 107 -1.509 23.978 1.117 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -3.029 24.771 2.889 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -4.428 24.433 1.888 1.00 0.00 H new ATOM 1697 N ASP A 108 -4.040 23.536 -0.974 1.00 0.00 N ATOM 1698 CA ASP A 108 -4.585 22.590 -1.946 1.00 0.00 C ATOM 1699 C ASP A 108 -3.624 22.424 -3.128 1.00 0.00 C ATOM 1700 O ASP A 108 -3.439 21.319 -3.638 1.00 0.00 O ATOM 1701 CB ASP A 108 -5.973 23.058 -2.415 1.00 0.00 C ATOM 1702 CG ASP A 108 -6.889 21.920 -2.903 1.00 0.00 C ATOM 1703 OD1 ASP A 108 -6.717 20.747 -2.502 1.00 0.00 O ATOM 1704 OD2 ASP A 108 -7.861 22.222 -3.632 1.00 0.00 O ATOM 0 H ASP A 108 -4.508 24.442 -0.956 1.00 0.00 H new ATOM 0 HA ASP A 108 -4.698 21.616 -1.471 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -6.465 23.579 -1.594 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -5.848 23.780 -3.222 1.00 0.00 H new ATOM 1709 N THR A 109 -2.947 23.510 -3.524 1.00 0.00 N ATOM 1710 CA THR A 109 -1.906 23.470 -4.546 1.00 0.00 C ATOM 1711 C THR A 109 -0.708 22.683 -3.995 1.00 0.00 C ATOM 1712 O THR A 109 -0.200 21.798 -4.683 1.00 0.00 O ATOM 1713 CB THR A 109 -1.554 24.917 -4.949 1.00 0.00 C ATOM 1714 OG1 THR A 109 -2.705 25.541 -5.493 1.00 0.00 O ATOM 1715 CG2 THR A 109 -0.457 25.053 -6.011 1.00 0.00 C ATOM 0 H THR A 109 -3.110 24.441 -3.140 1.00 0.00 H new ATOM 0 HA THR A 109 -2.240 22.958 -5.448 1.00 0.00 H new ATOM 0 HB THR A 109 -1.189 25.378 -4.031 1.00 0.00 H new ATOM 0 HG1 THR A 109 -2.599 26.514 -5.453 1.00 0.00 H new ATOM 0 HG21 THR A 109 -0.285 26.108 -6.223 1.00 0.00 H new ATOM 0 HG22 THR A 109 0.464 24.602 -5.642 1.00 0.00 H new ATOM 0 HG23 THR A 109 -0.769 24.545 -6.924 1.00 0.00 H new ATOM 1723 N GLN A 110 -0.284 22.935 -2.748 1.00 0.00 N ATOM 1724 CA GLN A 110 0.831 22.218 -2.138 1.00 0.00 C ATOM 1725 C GLN A 110 0.516 20.721 -2.089 1.00 0.00 C ATOM 1726 O GLN A 110 1.364 19.911 -2.452 1.00 0.00 O ATOM 1727 CB GLN A 110 1.135 22.786 -0.737 1.00 0.00 C ATOM 1728 CG GLN A 110 2.588 22.554 -0.288 1.00 0.00 C ATOM 1729 CD GLN A 110 2.932 21.083 -0.040 1.00 0.00 C ATOM 1730 OE1 GLN A 110 2.327 20.418 0.797 1.00 0.00 O ATOM 1731 NE2 GLN A 110 3.909 20.541 -0.752 1.00 0.00 N ATOM 0 H GLN A 110 -0.706 23.639 -2.142 1.00 0.00 H new ATOM 0 HA GLN A 110 1.727 22.355 -2.744 1.00 0.00 H new ATOM 0 HB2 GLN A 110 0.928 23.856 -0.734 1.00 0.00 H new ATOM 0 HB3 GLN A 110 0.461 22.328 -0.013 1.00 0.00 H new ATOM 0 HG2 GLN A 110 3.261 22.951 -1.048 1.00 0.00 H new ATOM 0 HG3 GLN A 110 2.770 23.119 0.626 1.00 0.00 H new ATOM 0 HE21 GLN A 110 4.406 21.101 -1.445 1.00 0.00 H new ATOM 0 HE22 GLN A 110 4.164 19.564 -0.607 1.00 0.00 H new ATOM 1740 N GLU A 111 -0.706 20.349 -1.702 1.00 0.00 N ATOM 1741 CA GLU A 111 -1.129 18.960 -1.620 1.00 0.00 C ATOM 1742 C GLU A 111 -1.039 18.266 -2.971 1.00 0.00 C ATOM 1743 O GLU A 111 -0.633 17.109 -3.017 1.00 0.00 O ATOM 1744 CB GLU A 111 -2.558 18.864 -1.062 1.00 0.00 C ATOM 1745 CG GLU A 111 -2.582 18.960 0.467 1.00 0.00 C ATOM 1746 CD GLU A 111 -2.237 17.610 1.122 1.00 0.00 C ATOM 1747 OE1 GLU A 111 -1.119 17.090 0.920 1.00 0.00 O ATOM 1748 OE2 GLU A 111 -3.102 17.002 1.793 1.00 0.00 O ATOM 0 H GLU A 111 -1.432 21.014 -1.435 1.00 0.00 H new ATOM 0 HA GLU A 111 -0.449 18.448 -0.939 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -3.167 19.662 -1.485 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -3.007 17.921 -1.374 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -1.871 19.718 0.796 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -3.569 19.284 0.797 1.00 0.00 H new ATOM 1755 N ALA A 112 -1.365 18.955 -4.065 1.00 0.00 N ATOM 1756 CA ALA A 112 -1.230 18.386 -5.401 1.00 0.00 C ATOM 1757 C ALA A 112 0.237 18.070 -5.729 1.00 0.00 C ATOM 1758 O ALA A 112 0.520 16.986 -6.242 1.00 0.00 O ATOM 1759 CB ALA A 112 -1.841 19.333 -6.434 1.00 0.00 C ATOM 0 H ALA A 112 -1.725 19.909 -4.049 1.00 0.00 H new ATOM 0 HA ALA A 112 -1.774 17.442 -5.433 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -1.737 18.902 -7.430 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -2.898 19.481 -6.212 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -1.325 20.292 -6.398 1.00 0.00 H new ATOM 1765 N ILE A 113 1.173 18.975 -5.412 1.00 0.00 N ATOM 1766 CA ILE A 113 2.606 18.724 -5.595 1.00 0.00 C ATOM 1767 C ILE A 113 3.026 17.553 -4.705 1.00 0.00 C ATOM 1768 O ILE A 113 3.658 16.616 -5.191 1.00 0.00 O ATOM 1769 CB ILE A 113 3.441 20.003 -5.315 1.00 0.00 C ATOM 1770 CG1 ILE A 113 3.469 20.944 -6.540 1.00 0.00 C ATOM 1771 CG2 ILE A 113 4.912 19.745 -4.961 1.00 0.00 C ATOM 1772 CD1 ILE A 113 2.295 21.905 -6.533 1.00 0.00 C ATOM 0 H ILE A 113 0.959 19.894 -5.025 1.00 0.00 H new ATOM 0 HA ILE A 113 2.799 18.456 -6.634 1.00 0.00 H new ATOM 0 HB ILE A 113 2.934 20.445 -4.457 1.00 0.00 H new ATOM 0 HG12 ILE A 113 4.402 21.508 -6.545 1.00 0.00 H new ATOM 0 HG13 ILE A 113 3.450 20.352 -7.455 1.00 0.00 H new ATOM 0 HG21 ILE A 113 5.415 20.695 -4.782 1.00 0.00 H new ATOM 0 HG22 ILE A 113 4.968 19.130 -4.063 1.00 0.00 H new ATOM 0 HG23 ILE A 113 5.399 19.226 -5.786 1.00 0.00 H new ATOM 0 HD11 ILE A 113 2.348 22.551 -7.409 1.00 0.00 H new ATOM 0 HD12 ILE A 113 1.363 21.341 -6.554 1.00 0.00 H new ATOM 0 HD13 ILE A 113 2.329 22.515 -5.630 1.00 0.00 H new ATOM 1784 N ALA A 114 2.679 17.596 -3.417 1.00 0.00 N ATOM 1785 CA ALA A 114 3.106 16.594 -2.452 1.00 0.00 C ATOM 1786 C ALA A 114 2.611 15.215 -2.881 1.00 0.00 C ATOM 1787 O ALA A 114 3.390 14.270 -2.950 1.00 0.00 O ATOM 1788 CB ALA A 114 2.574 16.952 -1.061 1.00 0.00 C ATOM 0 H ALA A 114 2.093 18.330 -3.018 1.00 0.00 H new ATOM 0 HA ALA A 114 4.195 16.573 -2.411 1.00 0.00 H new ATOM 0 HB1 ALA A 114 2.897 16.198 -0.343 1.00 0.00 H new ATOM 0 HB2 ALA A 114 2.961 17.926 -0.763 1.00 0.00 H new ATOM 0 HB3 ALA A 114 1.485 16.986 -1.086 1.00 0.00 H new ATOM 1794 N ASP A 115 1.329 15.119 -3.231 1.00 0.00 N ATOM 1795 CA ASP A 115 0.702 13.864 -3.632 1.00 0.00 C ATOM 1796 C ASP A 115 1.344 13.295 -4.892 1.00 0.00 C ATOM 1797 O ASP A 115 1.567 12.088 -4.999 1.00 0.00 O ATOM 1798 CB ASP A 115 -0.792 14.061 -3.886 1.00 0.00 C ATOM 1799 CG ASP A 115 -1.468 12.696 -4.012 1.00 0.00 C ATOM 1800 OD1 ASP A 115 -1.633 12.056 -2.949 1.00 0.00 O ATOM 1801 OD2 ASP A 115 -1.845 12.303 -5.138 1.00 0.00 O ATOM 0 H ASP A 115 0.693 15.917 -3.244 1.00 0.00 H new ATOM 0 HA ASP A 115 0.847 13.161 -2.812 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -1.240 14.627 -3.069 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -0.944 14.640 -4.797 1.00 0.00 H new ATOM 1806 N TRP A 116 1.683 14.176 -5.835 1.00 0.00 N ATOM 1807 CA TRP A 116 2.344 13.773 -7.060 1.00 0.00 C ATOM 1808 C TRP A 116 3.747 13.243 -6.760 1.00 0.00 C ATOM 1809 O TRP A 116 4.140 12.205 -7.292 1.00 0.00 O ATOM 1810 CB TRP A 116 2.384 14.936 -8.057 1.00 0.00 C ATOM 1811 CG TRP A 116 3.046 14.553 -9.337 1.00 0.00 C ATOM 1812 CD1 TRP A 116 4.216 15.044 -9.803 1.00 0.00 C ATOM 1813 CD2 TRP A 116 2.668 13.476 -10.247 1.00 0.00 C ATOM 1814 NE1 TRP A 116 4.583 14.348 -10.933 1.00 0.00 N ATOM 1815 CE2 TRP A 116 3.684 13.352 -11.236 1.00 0.00 C ATOM 1816 CE3 TRP A 116 1.596 12.558 -10.309 1.00 0.00 C ATOM 1817 CZ2 TRP A 116 3.647 12.367 -12.231 1.00 0.00 C ATOM 1818 CZ3 TRP A 116 1.556 11.554 -11.294 1.00 0.00 C ATOM 1819 CH2 TRP A 116 2.582 11.453 -12.249 1.00 0.00 C ATOM 0 H TRP A 116 1.506 15.178 -5.765 1.00 0.00 H new ATOM 0 HA TRP A 116 1.774 12.965 -7.518 1.00 0.00 H new ATOM 0 HB2 TRP A 116 1.368 15.273 -8.261 1.00 0.00 H new ATOM 0 HB3 TRP A 116 2.915 15.777 -7.612 1.00 0.00 H new ATOM 0 HD1 TRP A 116 4.775 15.854 -9.359 1.00 0.00 H new ATOM 0 HE1 TRP A 116 5.421 14.547 -11.480 1.00 0.00 H new ATOM 0 HE3 TRP A 116 0.794 12.628 -9.589 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 4.428 12.311 -12.975 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 0.732 10.857 -11.316 1.00 0.00 H new ATOM 0 HH2 TRP A 116 2.551 10.673 -12.996 1.00 0.00 H new ATOM 1830 N LEU A 117 4.492 13.912 -5.875 1.00 0.00 N ATOM 1831 CA LEU A 117 5.810 13.454 -5.457 1.00 0.00 C ATOM 1832 C LEU A 117 5.710 12.124 -4.706 1.00 0.00 C ATOM 1833 O LEU A 117 6.597 11.289 -4.872 1.00 0.00 O ATOM 1834 CB LEU A 117 6.520 14.526 -4.611 1.00 0.00 C ATOM 1835 CG LEU A 117 6.932 15.781 -5.410 1.00 0.00 C ATOM 1836 CD1 LEU A 117 7.420 16.866 -4.444 1.00 0.00 C ATOM 1837 CD2 LEU A 117 8.027 15.490 -6.446 1.00 0.00 C ATOM 0 H LEU A 117 4.196 14.782 -5.433 1.00 0.00 H new ATOM 0 HA LEU A 117 6.413 13.286 -6.349 1.00 0.00 H new ATOM 0 HB2 LEU A 117 5.862 14.826 -3.796 1.00 0.00 H new ATOM 0 HB3 LEU A 117 7.409 14.087 -4.158 1.00 0.00 H new ATOM 0 HG LEU A 117 6.051 16.120 -5.955 1.00 0.00 H new ATOM 0 HD11 LEU A 117 7.711 17.752 -5.009 1.00 0.00 H new ATOM 0 HD12 LEU A 117 6.619 17.124 -3.752 1.00 0.00 H new ATOM 0 HD13 LEU A 117 8.278 16.495 -3.884 1.00 0.00 H new ATOM 0 HD21 LEU A 117 8.277 16.408 -6.978 1.00 0.00 H new ATOM 0 HD22 LEU A 117 8.915 15.110 -5.940 1.00 0.00 H new ATOM 0 HD23 LEU A 117 7.667 14.745 -7.156 1.00 0.00 H new ATOM 1849 N TYR A 118 4.640 11.879 -3.938 1.00 0.00 N ATOM 1850 CA TYR A 118 4.424 10.579 -3.308 1.00 0.00 C ATOM 1851 C TYR A 118 4.260 9.508 -4.385 1.00 0.00 C ATOM 1852 O TYR A 118 4.939 8.489 -4.335 1.00 0.00 O ATOM 1853 CB TYR A 118 3.195 10.564 -2.378 1.00 0.00 C ATOM 1854 CG TYR A 118 3.096 11.604 -1.271 1.00 0.00 C ATOM 1855 CD1 TYR A 118 4.234 12.248 -0.740 1.00 0.00 C ATOM 1856 CD2 TYR A 118 1.821 11.918 -0.760 1.00 0.00 C ATOM 1857 CE1 TYR A 118 4.095 13.210 0.276 1.00 0.00 C ATOM 1858 CE2 TYR A 118 1.674 12.886 0.246 1.00 0.00 C ATOM 1859 CZ TYR A 118 2.812 13.531 0.778 1.00 0.00 C ATOM 1860 OH TYR A 118 2.659 14.453 1.771 1.00 0.00 O ATOM 0 H TYR A 118 3.913 12.567 -3.741 1.00 0.00 H new ATOM 0 HA TYR A 118 5.299 10.372 -2.692 1.00 0.00 H new ATOM 0 HB2 TYR A 118 2.308 10.663 -3.003 1.00 0.00 H new ATOM 0 HB3 TYR A 118 3.147 9.580 -1.911 1.00 0.00 H new ATOM 0 HD1 TYR A 118 5.216 12.001 -1.116 1.00 0.00 H new ATOM 0 HD2 TYR A 118 0.950 11.410 -1.145 1.00 0.00 H new ATOM 0 HE1 TYR A 118 4.969 13.705 0.674 1.00 0.00 H new ATOM 0 HE2 TYR A 118 0.690 13.138 0.613 1.00 0.00 H new ATOM 0 HH TYR A 118 1.708 14.545 1.988 1.00 0.00 H new ATOM 1870 N TRP A 119 3.402 9.730 -5.384 1.00 0.00 N ATOM 1871 CA TRP A 119 3.163 8.769 -6.456 1.00 0.00 C ATOM 1872 C TRP A 119 4.435 8.531 -7.281 1.00 0.00 C ATOM 1873 O TRP A 119 4.720 7.398 -7.679 1.00 0.00 O ATOM 1874 CB TRP A 119 1.996 9.293 -7.299 1.00 0.00 C ATOM 1875 CG TRP A 119 1.704 8.569 -8.577 1.00 0.00 C ATOM 1876 CD1 TRP A 119 2.434 8.682 -9.704 1.00 0.00 C ATOM 1877 CD2 TRP A 119 0.605 7.666 -8.913 1.00 0.00 C ATOM 1878 NE1 TRP A 119 1.917 7.871 -10.690 1.00 0.00 N ATOM 1879 CE2 TRP A 119 0.776 7.222 -10.261 1.00 0.00 C ATOM 1880 CE3 TRP A 119 -0.528 7.187 -8.219 1.00 0.00 C ATOM 1881 CZ2 TRP A 119 -0.118 6.328 -10.873 1.00 0.00 C ATOM 1882 CZ3 TRP A 119 -1.452 6.325 -8.840 1.00 0.00 C ATOM 1883 CH2 TRP A 119 -1.251 5.897 -10.162 1.00 0.00 C ATOM 0 H TRP A 119 2.853 10.585 -5.469 1.00 0.00 H new ATOM 0 HA TRP A 119 2.897 7.794 -6.048 1.00 0.00 H new ATOM 0 HB2 TRP A 119 1.097 9.271 -6.684 1.00 0.00 H new ATOM 0 HB3 TRP A 119 2.193 10.338 -7.539 1.00 0.00 H new ATOM 0 HD1 TRP A 119 3.300 9.317 -9.818 1.00 0.00 H new ATOM 0 HE1 TRP A 119 2.325 7.763 -11.619 1.00 0.00 H new ATOM 0 HE3 TRP A 119 -0.688 7.487 -7.194 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 0.063 5.976 -11.878 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 -2.322 5.990 -8.295 1.00 0.00 H new ATOM 0 HH2 TRP A 119 -1.966 5.238 -10.632 1.00 0.00 H new ATOM 1894 N LEU A 120 5.239 9.571 -7.509 1.00 0.00 N ATOM 1895 CA LEU A 120 6.524 9.439 -8.180 1.00 0.00 C ATOM 1896 C LEU A 120 7.450 8.543 -7.354 1.00 0.00 C ATOM 1897 O LEU A 120 7.973 7.557 -7.871 1.00 0.00 O ATOM 1898 CB LEU A 120 7.122 10.839 -8.390 1.00 0.00 C ATOM 1899 CG LEU A 120 8.425 10.840 -9.210 1.00 0.00 C ATOM 1900 CD1 LEU A 120 8.174 10.440 -10.670 1.00 0.00 C ATOM 1901 CD2 LEU A 120 9.038 12.242 -9.150 1.00 0.00 C ATOM 0 H LEU A 120 5.014 10.526 -7.232 1.00 0.00 H new ATOM 0 HA LEU A 120 6.398 8.969 -9.155 1.00 0.00 H new ATOM 0 HB2 LEU A 120 6.386 11.467 -8.893 1.00 0.00 H new ATOM 0 HB3 LEU A 120 7.315 11.291 -7.417 1.00 0.00 H new ATOM 0 HG LEU A 120 9.109 10.106 -8.784 1.00 0.00 H new ATOM 0 HD11 LEU A 120 9.116 10.452 -11.218 1.00 0.00 H new ATOM 0 HD12 LEU A 120 7.747 9.438 -10.704 1.00 0.00 H new ATOM 0 HD13 LEU A 120 7.480 11.146 -11.126 1.00 0.00 H new ATOM 0 HD21 LEU A 120 9.963 12.260 -9.727 1.00 0.00 H new ATOM 0 HD22 LEU A 120 8.336 12.964 -9.567 1.00 0.00 H new ATOM 0 HD23 LEU A 120 9.252 12.502 -8.113 1.00 0.00 H new ATOM 1913 N ALA A 121 7.604 8.840 -6.059 1.00 0.00 N ATOM 1914 CA ALA A 121 8.447 8.072 -5.149 1.00 0.00 C ATOM 1915 C ALA A 121 7.924 6.644 -4.935 1.00 0.00 C ATOM 1916 O ALA A 121 8.715 5.744 -4.658 1.00 0.00 O ATOM 1917 CB ALA A 121 8.559 8.814 -3.814 1.00 0.00 C ATOM 0 H ALA A 121 7.139 9.631 -5.612 1.00 0.00 H new ATOM 0 HA ALA A 121 9.434 7.977 -5.601 1.00 0.00 H new ATOM 0 HB1 ALA A 121 9.188 8.243 -3.132 1.00 0.00 H new ATOM 0 HB2 ALA A 121 9.002 9.796 -3.980 1.00 0.00 H new ATOM 0 HB3 ALA A 121 7.567 8.932 -3.379 1.00 0.00 H new ATOM 1923 N ARG A 122 6.615 6.411 -5.099 1.00 0.00 N ATOM 1924 CA ARG A 122 5.986 5.087 -5.025 1.00 0.00 C ATOM 1925 C ARG A 122 6.474 4.185 -6.165 1.00 0.00 C ATOM 1926 O ARG A 122 6.271 2.973 -6.102 1.00 0.00 O ATOM 1927 CB ARG A 122 4.451 5.280 -5.022 1.00 0.00 C ATOM 1928 CG ARG A 122 3.532 4.049 -4.923 1.00 0.00 C ATOM 1929 CD ARG A 122 3.715 3.220 -3.648 1.00 0.00 C ATOM 1930 NE ARG A 122 4.806 2.247 -3.787 1.00 0.00 N ATOM 1931 CZ ARG A 122 5.316 1.498 -2.806 1.00 0.00 C ATOM 1932 NH1 ARG A 122 4.856 1.584 -1.565 1.00 0.00 N ATOM 1933 NH2 ARG A 122 6.321 0.672 -3.076 1.00 0.00 N ATOM 0 H ARG A 122 5.948 7.158 -5.292 1.00 0.00 H new ATOM 0 HA ARG A 122 6.271 4.577 -4.105 1.00 0.00 H new ATOM 0 HB2 ARG A 122 4.206 5.938 -4.188 1.00 0.00 H new ATOM 0 HB3 ARG A 122 4.187 5.812 -5.936 1.00 0.00 H new ATOM 0 HG2 ARG A 122 2.495 4.380 -4.980 1.00 0.00 H new ATOM 0 HG3 ARG A 122 3.710 3.408 -5.787 1.00 0.00 H new ATOM 0 HD2 ARG A 122 3.923 3.884 -2.809 1.00 0.00 H new ATOM 0 HD3 ARG A 122 2.787 2.696 -3.418 1.00 0.00 H new ATOM 0 HE ARG A 122 5.211 2.133 -4.716 1.00 0.00 H new ATOM 0 HH11 ARG A 122 4.099 2.231 -1.345 1.00 0.00 H new ATOM 0 HH12 ARG A 122 5.259 1.003 -0.830 1.00 0.00 H new ATOM 0 HH21 ARG A 122 6.694 0.615 -4.024 1.00 0.00 H new ATOM 0 HH22 ARG A 122 6.719 0.095 -2.336 1.00 0.00 H new