USER MOD reduce.3.24.130724 H: found=0, std=0, add=411, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 413 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 29 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 30 SER OG : rot 112:sc= 0.0566 USER MOD Set 1.3: A 72 THR OG1 : rot 99:sc= 0.83 USER MOD Set 2.1: A 25 GLN : amide:sc= -7.66! C(o=-11!,f=-21!) USER MOD Set 2.2: A 68 GLN : amide:sc= -3.79! C(o=-11!,f=-14!) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -15.4! C(o=-15!,f=-20!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 150:sc= 0.648 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -1.29 K(o=-1.3,f=-4.6!) USER MOD Single : A 54 CYS SG : rot 180:sc= -6.03! USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot -99:sc= -1.49! USER MOD Single : A 59 LYS NZ :NH3+ 140:sc= -0.575 (180deg=-3.24!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 239 N TYR A 18 -0.509 -9.584 2.179 1.00 0.00 N ATOM 240 CA TYR A 18 0.024 -8.386 2.894 1.00 0.00 C ATOM 241 C TYR A 18 1.479 -8.158 2.482 1.00 0.00 C ATOM 242 O TYR A 18 2.303 -9.046 2.560 1.00 0.00 O ATOM 243 CB TYR A 18 -0.073 -8.700 4.384 1.00 0.00 C ATOM 244 CG TYR A 18 -1.391 -8.201 4.948 1.00 0.00 C ATOM 245 CD1 TYR A 18 -2.361 -7.633 4.108 1.00 0.00 C ATOM 246 CD2 TYR A 18 -1.636 -8.301 6.324 1.00 0.00 C ATOM 247 CE1 TYR A 18 -3.568 -7.170 4.643 1.00 0.00 C ATOM 248 CE2 TYR A 18 -2.844 -7.835 6.857 1.00 0.00 C ATOM 249 CZ TYR A 18 -3.809 -7.270 6.017 1.00 0.00 C ATOM 250 OH TYR A 18 -5.000 -6.811 6.544 1.00 0.00 O ATOM 0 HA TYR A 18 -0.535 -7.482 2.654 1.00 0.00 H new ATOM 0 HB2 TYR A 18 0.013 -9.775 4.541 1.00 0.00 H new ATOM 0 HB3 TYR A 18 0.757 -8.233 4.915 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -2.176 -7.553 3.047 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -0.892 -8.738 6.974 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -4.314 -6.735 3.995 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -3.031 -7.912 7.918 1.00 0.00 H new ATOM 0 HH TYR A 18 -5.007 -6.957 7.513 1.00 0.00 H new ATOM 260 N GLN A 19 1.798 -6.976 2.038 1.00 0.00 N ATOM 261 CA GLN A 19 3.196 -6.694 1.614 1.00 0.00 C ATOM 262 C GLN A 19 4.186 -7.246 2.644 1.00 0.00 C ATOM 263 O GLN A 19 4.088 -6.973 3.824 1.00 0.00 O ATOM 264 CB GLN A 19 3.285 -5.165 1.523 1.00 0.00 C ATOM 265 CG GLN A 19 4.702 -4.694 1.844 1.00 0.00 C ATOM 266 CD GLN A 19 5.559 -4.783 0.583 1.00 0.00 C ATOM 267 OE1 GLN A 19 6.204 -3.826 0.203 1.00 0.00 O ATOM 268 NE2 GLN A 19 5.599 -5.901 -0.082 1.00 0.00 N ATOM 0 H GLN A 19 1.151 -6.193 1.950 1.00 0.00 H new ATOM 0 HA GLN A 19 3.445 -7.166 0.664 1.00 0.00 H new ATOM 0 HB2 GLN A 19 3.004 -4.837 0.522 1.00 0.00 H new ATOM 0 HB3 GLN A 19 2.578 -4.711 2.218 1.00 0.00 H new ATOM 0 HG2 GLN A 19 4.682 -3.669 2.213 1.00 0.00 H new ATOM 0 HG3 GLN A 19 5.132 -5.309 2.635 1.00 0.00 H new ATOM 0 HE21 GLN A 19 5.057 -6.704 0.237 1.00 0.00 H new ATOM 0 HE22 GLN A 19 6.172 -5.974 -0.923 1.00 0.00 H new ATOM 277 N LYS A 20 5.142 -8.010 2.199 1.00 0.00 N ATOM 278 CA LYS A 20 6.152 -8.571 3.141 1.00 0.00 C ATOM 279 C LYS A 20 7.391 -7.674 3.150 1.00 0.00 C ATOM 280 O LYS A 20 7.975 -7.408 4.182 1.00 0.00 O ATOM 281 CB LYS A 20 6.491 -9.956 2.587 1.00 0.00 C ATOM 282 CG LYS A 20 6.596 -10.955 3.741 1.00 0.00 C ATOM 283 CD LYS A 20 6.101 -12.326 3.275 1.00 0.00 C ATOM 284 CE LYS A 20 5.830 -13.212 4.494 1.00 0.00 C ATOM 285 NZ LYS A 20 6.125 -14.597 4.035 1.00 0.00 N ATOM 0 H LYS A 20 5.269 -8.272 1.221 1.00 0.00 H new ATOM 0 HA LYS A 20 5.785 -8.630 4.166 1.00 0.00 H new ATOM 0 HB2 LYS A 20 5.722 -10.276 1.884 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.431 -9.919 2.037 1.00 0.00 H new ATOM 0 HG2 LYS A 20 7.629 -11.026 4.082 1.00 0.00 H new ATOM 0 HG3 LYS A 20 6.003 -10.611 4.589 1.00 0.00 H new ATOM 0 HD2 LYS A 20 5.192 -12.215 2.684 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.845 -12.794 2.630 1.00 0.00 H new ATOM 0 HE2 LYS A 20 6.464 -12.931 5.335 1.00 0.00 H new ATOM 0 HE3 LYS A 20 4.797 -13.118 4.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.962 -15.264 4.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 5.502 -14.839 3.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.117 -14.657 3.729 1.00 0.00 H new ATOM 299 N ARG A 21 7.783 -7.195 2.002 1.00 0.00 N ATOM 300 CA ARG A 21 8.970 -6.298 1.925 1.00 0.00 C ATOM 301 C ARG A 21 8.550 -4.866 2.236 1.00 0.00 C ATOM 302 O ARG A 21 7.391 -4.523 2.150 1.00 0.00 O ATOM 303 CB ARG A 21 9.463 -6.413 0.482 1.00 0.00 C ATOM 304 CG ARG A 21 10.269 -7.704 0.319 1.00 0.00 C ATOM 305 CD ARG A 21 11.679 -7.368 -0.171 1.00 0.00 C ATOM 306 NE ARG A 21 11.873 -8.209 -1.385 1.00 0.00 N ATOM 307 CZ ARG A 21 12.974 -8.892 -1.537 1.00 0.00 C ATOM 308 NH1 ARG A 21 13.078 -10.085 -1.016 1.00 0.00 N ATOM 309 NH2 ARG A 21 13.970 -8.384 -2.208 1.00 0.00 N ATOM 0 H ARG A 21 7.329 -7.388 1.109 1.00 0.00 H new ATOM 0 HA ARG A 21 9.748 -6.570 2.639 1.00 0.00 H new ATOM 0 HB2 ARG A 21 8.616 -6.412 -0.204 1.00 0.00 H new ATOM 0 HB3 ARG A 21 10.081 -5.552 0.228 1.00 0.00 H new ATOM 0 HG2 ARG A 21 10.320 -8.236 1.269 1.00 0.00 H new ATOM 0 HG3 ARG A 21 9.774 -8.367 -0.391 1.00 0.00 H new ATOM 0 HD2 ARG A 21 11.774 -6.308 -0.406 1.00 0.00 H new ATOM 0 HD3 ARG A 21 12.426 -7.594 0.590 1.00 0.00 H new ATOM 0 HE ARG A 21 11.145 -8.251 -2.098 1.00 0.00 H new ATOM 0 HH11 ARG A 21 12.299 -10.482 -0.491 1.00 0.00 H new ATOM 0 HH12 ARG A 21 13.938 -10.620 -1.134 1.00 0.00 H new ATOM 0 HH21 ARG A 21 13.889 -7.452 -2.614 1.00 0.00 H new ATOM 0 HH22 ARG A 21 14.831 -8.919 -2.326 1.00 0.00 H new ATOM 323 N PRO A 22 9.515 -4.077 2.590 1.00 0.00 N ATOM 324 CA PRO A 22 9.249 -2.662 2.916 1.00 0.00 C ATOM 325 C PRO A 22 8.912 -1.873 1.655 1.00 0.00 C ATOM 326 O PRO A 22 9.516 -2.043 0.614 1.00 0.00 O ATOM 327 CB PRO A 22 10.548 -2.185 3.540 1.00 0.00 C ATOM 328 CG PRO A 22 11.599 -3.112 3.009 1.00 0.00 C ATOM 329 CD PRO A 22 10.929 -4.425 2.716 1.00 0.00 C ATOM 0 HA PRO A 22 8.396 -2.529 3.582 1.00 0.00 H new ATOM 0 HB2 PRO A 22 10.760 -1.151 3.268 1.00 0.00 H new ATOM 0 HB3 PRO A 22 10.501 -2.225 4.628 1.00 0.00 H new ATOM 0 HG2 PRO A 22 12.053 -2.702 2.107 1.00 0.00 H new ATOM 0 HG3 PRO A 22 12.400 -3.243 3.737 1.00 0.00 H new ATOM 0 HD2 PRO A 22 11.313 -4.874 1.800 1.00 0.00 H new ATOM 0 HD3 PRO A 22 11.093 -5.145 3.517 1.00 0.00 H new ATOM 337 N LEU A 23 7.938 -1.023 1.751 1.00 0.00 N ATOM 338 CA LEU A 23 7.523 -0.217 0.573 1.00 0.00 C ATOM 339 C LEU A 23 7.486 1.273 0.917 1.00 0.00 C ATOM 340 O LEU A 23 6.893 1.675 1.898 1.00 0.00 O ATOM 341 CB LEU A 23 6.131 -0.729 0.232 1.00 0.00 C ATOM 342 CG LEU A 23 6.211 -1.536 -1.055 1.00 0.00 C ATOM 343 CD1 LEU A 23 4.880 -2.252 -1.298 1.00 0.00 C ATOM 344 CD2 LEU A 23 6.506 -0.590 -2.221 1.00 0.00 C ATOM 0 H LEU A 23 7.404 -0.848 2.602 1.00 0.00 H new ATOM 0 HA LEU A 23 8.217 -0.317 -0.262 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.747 -1.348 1.043 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.440 0.105 0.113 1.00 0.00 H new ATOM 0 HG LEU A 23 7.005 -2.278 -0.974 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.940 -2.829 -2.221 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.670 -2.922 -0.464 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.081 -1.516 -1.382 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.565 -1.162 -3.147 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.709 0.149 -2.301 1.00 0.00 H new ATOM 0 HD23 LEU A 23 7.455 -0.083 -2.047 1.00 0.00 H new ATOM 356 N PRO A 24 8.129 2.043 0.083 1.00 0.00 N ATOM 357 CA PRO A 24 8.184 3.508 0.280 1.00 0.00 C ATOM 358 C PRO A 24 6.864 4.153 -0.146 1.00 0.00 C ATOM 359 O PRO A 24 5.926 3.481 -0.526 1.00 0.00 O ATOM 360 CB PRO A 24 9.320 3.950 -0.637 1.00 0.00 C ATOM 361 CG PRO A 24 9.400 2.899 -1.699 1.00 0.00 C ATOM 362 CD PRO A 24 8.861 1.618 -1.113 1.00 0.00 C ATOM 0 HA PRO A 24 8.343 3.794 1.320 1.00 0.00 H new ATOM 0 HB2 PRO A 24 9.119 4.931 -1.068 1.00 0.00 H new ATOM 0 HB3 PRO A 24 10.259 4.029 -0.090 1.00 0.00 H new ATOM 0 HG2 PRO A 24 8.821 3.194 -2.574 1.00 0.00 H new ATOM 0 HG3 PRO A 24 10.430 2.766 -2.029 1.00 0.00 H new ATOM 0 HD2 PRO A 24 8.207 1.103 -1.817 1.00 0.00 H new ATOM 0 HD3 PRO A 24 9.665 0.927 -0.862 1.00 0.00 H new ATOM 370 N GLN A 25 6.789 5.451 -0.083 1.00 0.00 N ATOM 371 CA GLN A 25 5.538 6.153 -0.478 1.00 0.00 C ATOM 372 C GLN A 25 5.813 7.138 -1.615 1.00 0.00 C ATOM 373 O GLN A 25 4.986 7.348 -2.480 1.00 0.00 O ATOM 374 CB GLN A 25 5.097 6.898 0.780 1.00 0.00 C ATOM 375 CG GLN A 25 3.799 7.655 0.498 1.00 0.00 C ATOM 376 CD GLN A 25 4.106 9.141 0.312 1.00 0.00 C ATOM 377 OE1 GLN A 25 4.955 9.687 0.988 1.00 0.00 O ATOM 378 NE2 GLN A 25 3.446 9.825 -0.582 1.00 0.00 N ATOM 0 H GLN A 25 7.546 6.060 0.227 1.00 0.00 H new ATOM 0 HA GLN A 25 4.774 5.464 -0.839 1.00 0.00 H new ATOM 0 HB2 GLN A 25 4.949 6.194 1.599 1.00 0.00 H new ATOM 0 HB3 GLN A 25 5.875 7.594 1.095 1.00 0.00 H new ATOM 0 HG2 GLN A 25 3.320 7.257 -0.397 1.00 0.00 H new ATOM 0 HG3 GLN A 25 3.099 7.518 1.322 1.00 0.00 H new ATOM 0 HE21 GLN A 25 2.733 9.367 -1.150 1.00 0.00 H new ATOM 0 HE22 GLN A 25 3.643 10.817 -0.713 1.00 0.00 H new ATOM 387 N VAL A 26 6.968 7.744 -1.622 1.00 0.00 N ATOM 388 CA VAL A 26 7.295 8.713 -2.700 1.00 0.00 C ATOM 389 C VAL A 26 7.441 7.981 -4.039 1.00 0.00 C ATOM 390 O VAL A 26 7.654 8.590 -5.070 1.00 0.00 O ATOM 391 CB VAL A 26 8.618 9.334 -2.261 1.00 0.00 C ATOM 392 CG1 VAL A 26 9.439 9.725 -3.487 1.00 0.00 C ATOM 393 CG2 VAL A 26 8.339 10.578 -1.417 1.00 0.00 C ATOM 0 H VAL A 26 7.700 7.608 -0.925 1.00 0.00 H new ATOM 0 HA VAL A 26 6.521 9.467 -2.846 1.00 0.00 H new ATOM 0 HB VAL A 26 9.178 8.608 -1.671 1.00 0.00 H new ATOM 0 HG11 VAL A 26 10.382 10.168 -3.167 1.00 0.00 H new ATOM 0 HG12 VAL A 26 9.640 8.838 -4.088 1.00 0.00 H new ATOM 0 HG13 VAL A 26 8.882 10.449 -4.082 1.00 0.00 H new ATOM 0 HG21 VAL A 26 9.283 11.023 -1.102 1.00 0.00 H new ATOM 0 HG22 VAL A 26 7.776 11.300 -2.008 1.00 0.00 H new ATOM 0 HG23 VAL A 26 7.759 10.298 -0.538 1.00 0.00 H new ATOM 403 N LEU A 27 7.328 6.682 -4.031 1.00 0.00 N ATOM 404 CA LEU A 27 7.459 5.914 -5.301 1.00 0.00 C ATOM 405 C LEU A 27 6.084 5.447 -5.787 1.00 0.00 C ATOM 406 O LEU A 27 5.895 5.150 -6.950 1.00 0.00 O ATOM 407 CB LEU A 27 8.337 4.713 -4.943 1.00 0.00 C ATOM 408 CG LEU A 27 8.791 4.012 -6.224 1.00 0.00 C ATOM 409 CD1 LEU A 27 10.089 4.650 -6.723 1.00 0.00 C ATOM 410 CD2 LEU A 27 9.033 2.529 -5.934 1.00 0.00 C ATOM 0 H LEU A 27 7.150 6.119 -3.199 1.00 0.00 H new ATOM 0 HA LEU A 27 7.889 6.513 -6.103 1.00 0.00 H new ATOM 0 HB2 LEU A 27 9.204 5.041 -4.369 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.782 4.018 -4.313 1.00 0.00 H new ATOM 0 HG LEU A 27 8.019 4.114 -6.987 1.00 0.00 H new ATOM 0 HD11 LEU A 27 10.413 4.150 -7.636 1.00 0.00 H new ATOM 0 HD12 LEU A 27 9.919 5.707 -6.928 1.00 0.00 H new ATOM 0 HD13 LEU A 27 10.861 4.548 -5.960 1.00 0.00 H new ATOM 0 HD21 LEU A 27 9.357 2.028 -6.846 1.00 0.00 H new ATOM 0 HD22 LEU A 27 9.805 2.429 -5.171 1.00 0.00 H new ATOM 0 HD23 LEU A 27 8.110 2.073 -5.577 1.00 0.00 H new ATOM 422 N LEU A 28 5.119 5.375 -4.908 1.00 0.00 N ATOM 423 CA LEU A 28 3.765 4.922 -5.326 1.00 0.00 C ATOM 424 C LEU A 28 2.832 6.122 -5.516 1.00 0.00 C ATOM 425 O LEU A 28 3.157 7.234 -5.150 1.00 0.00 O ATOM 426 CB LEU A 28 3.281 4.043 -4.177 1.00 0.00 C ATOM 427 CG LEU A 28 4.344 2.992 -3.853 1.00 0.00 C ATOM 428 CD1 LEU A 28 4.175 2.521 -2.406 1.00 0.00 C ATOM 429 CD2 LEU A 28 4.184 1.799 -4.797 1.00 0.00 C ATOM 0 H LEU A 28 5.212 5.611 -3.920 1.00 0.00 H new ATOM 0 HA LEU A 28 3.782 4.388 -6.276 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.080 4.655 -3.298 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.344 3.556 -4.448 1.00 0.00 H new ATOM 0 HG LEU A 28 5.335 3.428 -3.979 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.933 1.772 -2.176 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.287 3.370 -1.732 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.184 2.085 -2.279 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.941 1.049 -4.567 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.192 1.365 -4.670 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.304 2.132 -5.828 1.00 0.00 H new ATOM 441 N SER A 29 1.678 5.910 -6.095 1.00 0.00 N ATOM 442 CA SER A 29 0.740 7.051 -6.310 1.00 0.00 C ATOM 443 C SER A 29 -0.300 7.136 -5.188 1.00 0.00 C ATOM 444 O SER A 29 -0.244 8.012 -4.346 1.00 0.00 O ATOM 445 CB SER A 29 0.059 6.763 -7.646 1.00 0.00 C ATOM 446 OG SER A 29 -0.782 7.857 -7.987 1.00 0.00 O ATOM 0 H SER A 29 1.347 5.004 -6.426 1.00 0.00 H new ATOM 0 HA SER A 29 1.267 8.005 -6.311 1.00 0.00 H new ATOM 0 HB2 SER A 29 0.807 6.608 -8.423 1.00 0.00 H new ATOM 0 HB3 SER A 29 -0.526 5.846 -7.579 1.00 0.00 H new ATOM 0 HG SER A 29 -1.220 7.678 -8.845 1.00 0.00 H new ATOM 452 N SER A 30 -1.258 6.251 -5.178 1.00 0.00 N ATOM 453 CA SER A 30 -2.311 6.304 -4.117 1.00 0.00 C ATOM 454 C SER A 30 -2.716 4.895 -3.672 1.00 0.00 C ATOM 455 O SER A 30 -2.096 3.916 -4.032 1.00 0.00 O ATOM 456 CB SER A 30 -3.494 7.012 -4.778 1.00 0.00 C ATOM 457 OG SER A 30 -3.697 6.472 -6.077 1.00 0.00 O ATOM 0 H SER A 30 -1.360 5.495 -5.855 1.00 0.00 H new ATOM 0 HA SER A 30 -1.960 6.820 -3.223 1.00 0.00 H new ATOM 0 HB2 SER A 30 -4.392 6.885 -4.174 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.302 8.083 -4.843 1.00 0.00 H new ATOM 0 HG SER A 30 -4.545 5.982 -6.098 1.00 0.00 H new ATOM 463 N TRP A 31 -3.755 4.792 -2.885 1.00 0.00 N ATOM 464 CA TRP A 31 -4.208 3.451 -2.405 1.00 0.00 C ATOM 465 C TRP A 31 -5.731 3.414 -2.289 1.00 0.00 C ATOM 466 O TRP A 31 -6.420 4.333 -2.677 1.00 0.00 O ATOM 467 CB TRP A 31 -3.596 3.301 -1.015 1.00 0.00 C ATOM 468 CG TRP A 31 -4.123 4.384 -0.136 1.00 0.00 C ATOM 469 CD1 TRP A 31 -3.785 5.683 -0.238 1.00 0.00 C ATOM 470 CD2 TRP A 31 -5.075 4.292 0.965 1.00 0.00 C ATOM 471 NE1 TRP A 31 -4.457 6.402 0.733 1.00 0.00 N ATOM 472 CE2 TRP A 31 -5.267 5.588 1.500 1.00 0.00 C ATOM 473 CE3 TRP A 31 -5.779 3.223 1.547 1.00 0.00 C ATOM 474 CZ2 TRP A 31 -6.128 5.816 2.574 1.00 0.00 C ATOM 475 CZ3 TRP A 31 -6.648 3.449 2.628 1.00 0.00 C ATOM 476 CH2 TRP A 31 -6.821 4.743 3.140 1.00 0.00 C ATOM 0 H TRP A 31 -4.311 5.580 -2.553 1.00 0.00 H new ATOM 0 HA TRP A 31 -3.908 2.656 -3.088 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -3.842 2.324 -0.598 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -2.509 3.358 -1.073 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -3.099 6.097 -0.962 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -4.366 7.409 0.866 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -5.651 2.222 1.161 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -6.258 6.814 2.965 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -7.186 2.622 3.067 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -7.490 4.910 3.971 1.00 0.00 H new ATOM 487 N TYR A 32 -6.254 2.358 -1.730 1.00 0.00 N ATOM 488 CA TYR A 32 -7.730 2.256 -1.551 1.00 0.00 C ATOM 489 C TYR A 32 -8.059 1.048 -0.665 1.00 0.00 C ATOM 490 O TYR A 32 -7.502 -0.020 -0.833 1.00 0.00 O ATOM 491 CB TYR A 32 -8.310 2.126 -2.968 1.00 0.00 C ATOM 492 CG TYR A 32 -8.394 0.680 -3.395 1.00 0.00 C ATOM 493 CD1 TYR A 32 -9.257 -0.201 -2.736 1.00 0.00 C ATOM 494 CD2 TYR A 32 -7.617 0.226 -4.467 1.00 0.00 C ATOM 495 CE1 TYR A 32 -9.344 -1.537 -3.145 1.00 0.00 C ATOM 496 CE2 TYR A 32 -7.700 -1.111 -4.876 1.00 0.00 C ATOM 497 CZ TYR A 32 -8.564 -1.992 -4.215 1.00 0.00 C ATOM 498 OH TYR A 32 -8.647 -3.309 -4.618 1.00 0.00 O ATOM 0 H TYR A 32 -5.721 1.558 -1.388 1.00 0.00 H new ATOM 0 HA TYR A 32 -8.160 3.123 -1.050 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -9.303 2.575 -3.000 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -7.687 2.679 -3.671 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -9.858 0.150 -1.910 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -6.953 0.907 -4.979 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -10.012 -2.216 -2.636 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -7.098 -1.462 -5.701 1.00 0.00 H new ATOM 0 HH TYR A 32 -8.041 -3.459 -5.374 1.00 0.00 H new ATOM 508 N PRO A 33 -8.939 1.277 0.272 1.00 0.00 N ATOM 509 CA PRO A 33 -9.343 0.216 1.234 1.00 0.00 C ATOM 510 C PRO A 33 -10.122 -0.902 0.536 1.00 0.00 C ATOM 511 O PRO A 33 -10.827 -0.678 -0.427 1.00 0.00 O ATOM 512 CB PRO A 33 -10.223 0.958 2.234 1.00 0.00 C ATOM 513 CG PRO A 33 -10.731 2.138 1.483 1.00 0.00 C ATOM 514 CD PRO A 33 -9.645 2.536 0.524 1.00 0.00 C ATOM 0 HA PRO A 33 -8.490 -0.276 1.702 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -11.041 0.329 2.585 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -9.655 1.262 3.113 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -11.649 1.892 0.949 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -10.968 2.957 2.162 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -10.054 2.958 -0.394 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -8.984 3.288 0.954 1.00 0.00 H new ATOM 522 N THR A 34 -9.998 -2.109 1.020 1.00 0.00 N ATOM 523 CA THR A 34 -10.727 -3.246 0.387 1.00 0.00 C ATOM 524 C THR A 34 -11.851 -3.733 1.307 1.00 0.00 C ATOM 525 O THR A 34 -12.056 -3.210 2.383 1.00 0.00 O ATOM 526 CB THR A 34 -9.677 -4.352 0.192 1.00 0.00 C ATOM 527 OG1 THR A 34 -9.981 -5.444 1.050 1.00 0.00 O ATOM 528 CG2 THR A 34 -8.276 -3.822 0.521 1.00 0.00 C ATOM 0 H THR A 34 -9.424 -2.357 1.826 1.00 0.00 H new ATOM 0 HA THR A 34 -11.188 -2.957 -0.558 1.00 0.00 H new ATOM 0 HB THR A 34 -9.695 -4.679 -0.848 1.00 0.00 H new ATOM 0 HG1 THR A 34 -9.314 -6.152 0.927 1.00 0.00 H new ATOM 0 HG21 THR A 34 -7.544 -4.617 0.378 1.00 0.00 H new ATOM 0 HG22 THR A 34 -8.039 -2.987 -0.138 1.00 0.00 H new ATOM 0 HG23 THR A 34 -8.248 -3.485 1.557 1.00 0.00 H new ATOM 640 N GLY A 42 -7.965 -5.227 3.986 1.00 0.00 N ATOM 641 CA GLY A 42 -6.864 -4.361 4.493 1.00 0.00 C ATOM 642 C GLY A 42 -6.725 -3.129 3.603 1.00 0.00 C ATOM 643 O GLY A 42 -7.702 -2.547 3.175 1.00 0.00 O ATOM 0 HA2 GLY A 42 -7.070 -4.058 5.520 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -5.927 -4.918 4.507 1.00 0.00 H new ATOM 647 N VAL A 43 -5.519 -2.723 3.319 1.00 0.00 N ATOM 648 CA VAL A 43 -5.325 -1.529 2.453 1.00 0.00 C ATOM 649 C VAL A 43 -4.365 -1.854 1.314 1.00 0.00 C ATOM 650 O VAL A 43 -3.273 -2.345 1.525 1.00 0.00 O ATOM 651 CB VAL A 43 -4.733 -0.454 3.371 1.00 0.00 C ATOM 652 CG1 VAL A 43 -3.811 0.467 2.567 1.00 0.00 C ATOM 653 CG2 VAL A 43 -5.867 0.383 3.961 1.00 0.00 C ATOM 0 H VAL A 43 -4.661 -3.166 3.649 1.00 0.00 H new ATOM 0 HA VAL A 43 -6.258 -1.198 1.996 1.00 0.00 H new ATOM 0 HB VAL A 43 -4.166 -0.937 4.167 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.394 1.229 3.225 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.002 -0.119 2.131 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -4.380 0.948 1.771 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.451 1.149 4.615 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -6.426 0.858 3.155 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.534 -0.261 4.535 1.00 0.00 H new ATOM 663 N ILE A 44 -4.758 -1.570 0.108 1.00 0.00 N ATOM 664 CA ILE A 44 -3.866 -1.848 -1.045 1.00 0.00 C ATOM 665 C ILE A 44 -3.365 -0.523 -1.614 1.00 0.00 C ATOM 666 O ILE A 44 -4.047 0.481 -1.558 1.00 0.00 O ATOM 667 CB ILE A 44 -4.738 -2.586 -2.058 1.00 0.00 C ATOM 668 CG1 ILE A 44 -5.707 -1.599 -2.709 1.00 0.00 C ATOM 669 CG2 ILE A 44 -5.532 -3.681 -1.344 1.00 0.00 C ATOM 670 CD1 ILE A 44 -5.066 -1.016 -3.966 1.00 0.00 C ATOM 0 H ILE A 44 -5.660 -1.157 -0.129 1.00 0.00 H new ATOM 0 HA ILE A 44 -2.991 -2.441 -0.776 1.00 0.00 H new ATOM 0 HB ILE A 44 -4.105 -3.035 -2.824 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -6.640 -2.102 -2.963 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -5.955 -0.801 -2.010 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -6.155 -4.209 -2.066 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.843 -4.385 -0.877 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -6.165 -3.231 -0.579 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -5.755 -0.312 -4.433 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -4.145 -0.499 -3.698 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -4.840 -1.820 -4.666 1.00 0.00 H new ATOM 682 N PHE A 45 -2.177 -0.499 -2.141 1.00 0.00 N ATOM 683 CA PHE A 45 -1.642 0.773 -2.685 1.00 0.00 C ATOM 684 C PHE A 45 -1.578 0.725 -4.209 1.00 0.00 C ATOM 685 O PHE A 45 -1.872 -0.280 -4.826 1.00 0.00 O ATOM 686 CB PHE A 45 -0.235 0.875 -2.099 1.00 0.00 C ATOM 687 CG PHE A 45 -0.319 1.093 -0.609 1.00 0.00 C ATOM 688 CD1 PHE A 45 -0.605 2.365 -0.102 1.00 0.00 C ATOM 689 CD2 PHE A 45 -0.109 0.021 0.267 1.00 0.00 C ATOM 690 CE1 PHE A 45 -0.682 2.565 1.281 1.00 0.00 C ATOM 691 CE2 PHE A 45 -0.185 0.222 1.649 1.00 0.00 C ATOM 692 CZ PHE A 45 -0.471 1.493 2.157 1.00 0.00 C ATOM 0 H PHE A 45 -1.555 -1.304 -2.218 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.268 1.627 -2.427 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.325 -0.036 -2.312 1.00 0.00 H new ATOM 0 HB3 PHE A 45 0.305 1.698 -2.567 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -0.766 3.192 -0.777 1.00 0.00 H new ATOM 0 HD2 PHE A 45 0.112 -0.961 -0.125 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -0.904 3.547 1.673 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -0.023 -0.605 2.324 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.529 1.648 3.224 1.00 0.00 H new ATOM 702 N LEU A 46 -1.189 1.807 -4.817 1.00 0.00 N ATOM 703 CA LEU A 46 -1.091 1.844 -6.297 1.00 0.00 C ATOM 704 C LEU A 46 0.114 2.686 -6.707 1.00 0.00 C ATOM 705 O LEU A 46 0.231 3.840 -6.343 1.00 0.00 O ATOM 706 CB LEU A 46 -2.389 2.497 -6.772 1.00 0.00 C ATOM 707 CG LEU A 46 -3.308 1.433 -7.374 1.00 0.00 C ATOM 708 CD1 LEU A 46 -2.504 0.539 -8.317 1.00 0.00 C ATOM 709 CD2 LEU A 46 -3.911 0.584 -6.252 1.00 0.00 C ATOM 0 H LEU A 46 -0.933 2.675 -4.346 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.961 0.853 -6.731 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.886 2.991 -5.937 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.171 3.266 -7.514 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.109 1.918 -7.931 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -3.159 -0.219 -8.746 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.077 1.144 -9.117 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -1.701 0.053 -7.762 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.566 -0.174 -6.681 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.111 0.098 -5.693 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.486 1.223 -5.581 1.00 0.00 H new ATOM 721 N THR A 47 1.012 2.114 -7.455 1.00 0.00 N ATOM 722 CA THR A 47 2.219 2.873 -7.883 1.00 0.00 C ATOM 723 C THR A 47 1.813 4.080 -8.725 1.00 0.00 C ATOM 724 O THR A 47 0.703 4.560 -8.640 1.00 0.00 O ATOM 725 CB THR A 47 3.033 1.887 -8.724 1.00 0.00 C ATOM 726 OG1 THR A 47 2.347 1.626 -9.943 1.00 0.00 O ATOM 727 CG2 THR A 47 3.216 0.582 -7.949 1.00 0.00 C ATOM 0 H THR A 47 0.963 1.152 -7.790 1.00 0.00 H new ATOM 0 HA THR A 47 2.788 3.252 -7.034 1.00 0.00 H new ATOM 0 HB THR A 47 4.011 2.316 -8.942 1.00 0.00 H new ATOM 0 HG1 THR A 47 2.998 1.426 -10.648 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.796 -0.119 -8.549 1.00 0.00 H new ATOM 0 HG22 THR A 47 3.743 0.784 -7.016 1.00 0.00 H new ATOM 0 HG23 THR A 47 2.240 0.150 -7.728 1.00 0.00 H new ATOM 735 N LYS A 48 2.705 4.563 -9.542 1.00 0.00 N ATOM 736 CA LYS A 48 2.381 5.726 -10.409 1.00 0.00 C ATOM 737 C LYS A 48 2.210 5.237 -11.847 1.00 0.00 C ATOM 738 O LYS A 48 2.143 6.012 -12.781 1.00 0.00 O ATOM 739 CB LYS A 48 3.588 6.654 -10.289 1.00 0.00 C ATOM 740 CG LYS A 48 3.533 7.391 -8.950 1.00 0.00 C ATOM 741 CD LYS A 48 3.110 8.842 -9.179 1.00 0.00 C ATOM 742 CE LYS A 48 3.876 9.755 -8.219 1.00 0.00 C ATOM 743 NZ LYS A 48 3.981 11.059 -8.932 1.00 0.00 N ATOM 0 H LYS A 48 3.652 4.198 -9.646 1.00 0.00 H new ATOM 0 HA LYS A 48 1.460 6.234 -10.123 1.00 0.00 H new ATOM 0 HB2 LYS A 48 4.511 6.079 -10.362 1.00 0.00 H new ATOM 0 HB3 LYS A 48 3.593 7.370 -11.111 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.828 6.898 -8.281 1.00 0.00 H new ATOM 0 HG3 LYS A 48 4.509 7.358 -8.465 1.00 0.00 H new ATOM 0 HD2 LYS A 48 3.310 9.132 -10.211 1.00 0.00 H new ATOM 0 HD3 LYS A 48 2.037 8.948 -9.020 1.00 0.00 H new ATOM 0 HE2 LYS A 48 3.348 9.864 -7.272 1.00 0.00 H new ATOM 0 HE3 LYS A 48 4.861 9.350 -7.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 4.495 11.740 -8.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 4.494 10.925 -9.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 3.028 11.424 -9.131 1.00 0.00 H new ATOM 757 N ARG A 49 2.148 3.945 -12.022 1.00 0.00 N ATOM 758 CA ARG A 49 1.990 3.370 -13.385 1.00 0.00 C ATOM 759 C ARG A 49 0.735 2.499 -13.450 1.00 0.00 C ATOM 760 O ARG A 49 -0.312 2.928 -13.892 1.00 0.00 O ATOM 761 CB ARG A 49 3.243 2.519 -13.588 1.00 0.00 C ATOM 762 CG ARG A 49 4.343 3.370 -14.225 1.00 0.00 C ATOM 763 CD ARG A 49 5.702 2.704 -13.997 1.00 0.00 C ATOM 764 NE ARG A 49 5.824 2.580 -12.517 1.00 0.00 N ATOM 765 CZ ARG A 49 5.853 3.651 -11.772 1.00 0.00 C ATOM 766 NH1 ARG A 49 6.107 4.813 -12.310 1.00 0.00 N ATOM 767 NH2 ARG A 49 5.628 3.561 -10.490 1.00 0.00 N ATOM 0 H ARG A 49 2.201 3.258 -11.270 1.00 0.00 H new ATOM 0 HA ARG A 49 1.881 4.136 -14.152 1.00 0.00 H new ATOM 0 HB2 ARG A 49 3.584 2.122 -12.632 1.00 0.00 H new ATOM 0 HB3 ARG A 49 3.015 1.664 -14.225 1.00 0.00 H new ATOM 0 HG2 ARG A 49 4.157 3.484 -15.293 1.00 0.00 H new ATOM 0 HG3 ARG A 49 4.340 4.371 -13.793 1.00 0.00 H new ATOM 0 HD2 ARG A 49 5.750 1.728 -14.481 1.00 0.00 H new ATOM 0 HD3 ARG A 49 6.511 3.305 -14.411 1.00 0.00 H new ATOM 0 HE ARG A 49 5.885 1.658 -12.086 1.00 0.00 H new ATOM 0 HH11 ARG A 49 6.283 4.884 -13.312 1.00 0.00 H new ATOM 0 HH12 ARG A 49 6.130 5.650 -11.728 1.00 0.00 H new ATOM 0 HH21 ARG A 49 5.429 2.653 -10.070 1.00 0.00 H new ATOM 0 HH22 ARG A 49 5.651 4.398 -9.908 1.00 0.00 H new ATOM 781 N GLY A 50 0.833 1.274 -13.009 1.00 0.00 N ATOM 782 CA GLY A 50 -0.350 0.370 -13.042 1.00 0.00 C ATOM 783 C GLY A 50 -0.111 -0.820 -12.110 1.00 0.00 C ATOM 784 O GLY A 50 -0.672 -1.883 -12.290 1.00 0.00 O ATOM 0 H GLY A 50 1.683 0.860 -12.627 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -1.244 0.912 -12.734 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -0.524 0.019 -14.059 1.00 0.00 H new ATOM 788 N ARG A 51 0.717 -0.651 -11.114 1.00 0.00 N ATOM 789 CA ARG A 51 0.989 -1.774 -10.172 1.00 0.00 C ATOM 790 C ARG A 51 0.289 -1.521 -8.833 1.00 0.00 C ATOM 791 O ARG A 51 0.366 -0.444 -8.277 1.00 0.00 O ATOM 792 CB ARG A 51 2.507 -1.779 -9.990 1.00 0.00 C ATOM 793 CG ARG A 51 3.114 -2.941 -10.778 1.00 0.00 C ATOM 794 CD ARG A 51 4.409 -2.482 -11.450 1.00 0.00 C ATOM 795 NE ARG A 51 5.383 -3.580 -11.200 1.00 0.00 N ATOM 796 CZ ARG A 51 6.458 -3.352 -10.497 1.00 0.00 C ATOM 797 NH1 ARG A 51 7.254 -2.370 -10.821 1.00 0.00 N ATOM 798 NH2 ARG A 51 6.736 -4.105 -9.468 1.00 0.00 N ATOM 0 H ARG A 51 1.216 0.215 -10.912 1.00 0.00 H new ATOM 0 HA ARG A 51 0.620 -2.728 -10.549 1.00 0.00 H new ATOM 0 HB2 ARG A 51 2.928 -0.834 -10.334 1.00 0.00 H new ATOM 0 HB3 ARG A 51 2.756 -1.873 -8.933 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.315 -3.780 -10.112 1.00 0.00 H new ATOM 0 HG3 ARG A 51 2.407 -3.293 -11.529 1.00 0.00 H new ATOM 0 HD2 ARG A 51 4.263 -2.319 -12.518 1.00 0.00 H new ATOM 0 HD3 ARG A 51 4.760 -1.540 -11.029 1.00 0.00 H new ATOM 0 HE ARG A 51 5.210 -4.511 -11.579 1.00 0.00 H new ATOM 0 HH11 ARG A 51 7.036 -1.780 -11.624 1.00 0.00 H new ATOM 0 HH12 ARG A 51 8.094 -2.192 -10.271 1.00 0.00 H new ATOM 0 HH21 ARG A 51 6.113 -4.871 -9.214 1.00 0.00 H new ATOM 0 HH22 ARG A 51 7.576 -3.927 -8.918 1.00 0.00 H new ATOM 812 N GLN A 52 -0.397 -2.503 -8.316 1.00 0.00 N ATOM 813 CA GLN A 52 -1.105 -2.314 -7.023 1.00 0.00 C ATOM 814 C GLN A 52 -0.418 -3.121 -5.917 1.00 0.00 C ATOM 815 O GLN A 52 0.230 -4.117 -6.171 1.00 0.00 O ATOM 816 CB GLN A 52 -2.515 -2.850 -7.266 1.00 0.00 C ATOM 817 CG GLN A 52 -2.899 -2.662 -8.737 1.00 0.00 C ATOM 818 CD GLN A 52 -4.404 -2.405 -8.841 1.00 0.00 C ATOM 819 OE1 GLN A 52 -5.078 -2.265 -7.840 1.00 0.00 O ATOM 820 NE2 GLN A 52 -4.963 -2.338 -10.018 1.00 0.00 N ATOM 0 H GLN A 52 -0.497 -3.428 -8.735 1.00 0.00 H new ATOM 0 HA GLN A 52 -1.107 -1.272 -6.704 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.562 -3.906 -7.001 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -3.227 -2.329 -6.626 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -2.346 -1.826 -9.165 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -2.630 -3.549 -9.311 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.397 -2.455 -10.859 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.966 -2.168 -10.097 1.00 0.00 H new ATOM 829 N VAL A 53 -0.562 -2.699 -4.692 1.00 0.00 N ATOM 830 CA VAL A 53 0.073 -3.435 -3.565 1.00 0.00 C ATOM 831 C VAL A 53 -0.961 -3.692 -2.464 1.00 0.00 C ATOM 832 O VAL A 53 -1.990 -3.050 -2.404 1.00 0.00 O ATOM 833 CB VAL A 53 1.178 -2.501 -3.071 1.00 0.00 C ATOM 834 CG1 VAL A 53 1.389 -2.705 -1.573 1.00 0.00 C ATOM 835 CG2 VAL A 53 2.478 -2.815 -3.814 1.00 0.00 C ATOM 0 H VAL A 53 -1.095 -1.872 -4.422 1.00 0.00 H new ATOM 0 HA VAL A 53 0.466 -4.408 -3.860 1.00 0.00 H new ATOM 0 HB VAL A 53 0.889 -1.467 -3.259 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.177 -2.038 -1.222 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.463 -2.484 -1.042 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.677 -3.739 -1.384 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.267 -2.150 -3.463 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.764 -3.850 -3.625 1.00 0.00 H new ATOM 0 HG23 VAL A 53 2.330 -2.669 -4.884 1.00 0.00 H new ATOM 845 N CYS A 54 -0.697 -4.630 -1.595 1.00 0.00 N ATOM 846 CA CYS A 54 -1.661 -4.929 -0.503 1.00 0.00 C ATOM 847 C CYS A 54 -0.919 -5.079 0.826 1.00 0.00 C ATOM 848 O CYS A 54 -0.097 -5.958 0.986 1.00 0.00 O ATOM 849 CB CYS A 54 -2.290 -6.256 -0.909 1.00 0.00 C ATOM 850 SG CYS A 54 -4.046 -6.254 -0.472 1.00 0.00 S ATOM 0 H CYS A 54 0.147 -5.202 -1.596 1.00 0.00 H new ATOM 0 HA CYS A 54 -2.401 -4.140 -0.368 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -2.172 -6.413 -1.981 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -1.781 -7.080 -0.408 1.00 0.00 H new ATOM 0 HG CYS A 54 -4.581 -7.386 -0.821 1.00 0.00 H new ATOM 855 N ALA A 55 -1.193 -4.233 1.781 1.00 0.00 N ATOM 856 CA ALA A 55 -0.487 -4.350 3.088 1.00 0.00 C ATOM 857 C ALA A 55 -1.456 -4.093 4.244 1.00 0.00 C ATOM 858 O ALA A 55 -2.470 -3.444 4.086 1.00 0.00 O ATOM 859 CB ALA A 55 0.595 -3.274 3.044 1.00 0.00 C ATOM 0 H ALA A 55 -1.869 -3.472 1.714 1.00 0.00 H new ATOM 0 HA ALA A 55 -0.070 -5.345 3.245 1.00 0.00 H new ATOM 0 HB1 ALA A 55 1.164 -3.292 3.973 1.00 0.00 H new ATOM 0 HB2 ALA A 55 1.264 -3.465 2.205 1.00 0.00 H new ATOM 0 HB3 ALA A 55 0.130 -2.296 2.922 1.00 0.00 H new ATOM 865 N ASP A 56 -1.147 -4.599 5.406 1.00 0.00 N ATOM 866 CA ASP A 56 -2.045 -4.384 6.574 1.00 0.00 C ATOM 867 C ASP A 56 -2.047 -2.906 6.970 1.00 0.00 C ATOM 868 O ASP A 56 -1.087 -2.397 7.512 1.00 0.00 O ATOM 869 CB ASP A 56 -1.452 -5.239 7.693 1.00 0.00 C ATOM 870 CG ASP A 56 -2.510 -5.471 8.774 1.00 0.00 C ATOM 871 OD1 ASP A 56 -3.458 -4.706 8.821 1.00 0.00 O ATOM 872 OD2 ASP A 56 -2.353 -6.409 9.538 1.00 0.00 O ATOM 0 H ASP A 56 -0.311 -5.152 5.597 1.00 0.00 H new ATOM 0 HA ASP A 56 -3.078 -4.657 6.358 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -1.110 -6.194 7.293 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -0.581 -4.743 8.122 1.00 0.00 H new ATOM 877 N LYS A 57 -3.119 -2.214 6.700 1.00 0.00 N ATOM 878 CA LYS A 57 -3.187 -0.769 7.058 1.00 0.00 C ATOM 879 C LYS A 57 -2.582 -0.533 8.445 1.00 0.00 C ATOM 880 O LYS A 57 -2.127 0.550 8.758 1.00 0.00 O ATOM 881 CB LYS A 57 -4.680 -0.439 7.064 1.00 0.00 C ATOM 882 CG LYS A 57 -4.872 1.077 7.100 1.00 0.00 C ATOM 883 CD LYS A 57 -6.367 1.400 7.074 1.00 0.00 C ATOM 884 CE LYS A 57 -6.768 2.074 8.387 1.00 0.00 C ATOM 885 NZ LYS A 57 -7.130 0.955 9.299 1.00 0.00 N ATOM 0 H LYS A 57 -3.953 -2.587 6.246 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.629 -0.144 6.361 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -5.158 -0.855 6.177 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -5.160 -0.897 7.929 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -4.415 1.491 7.998 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -4.374 1.538 6.247 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -6.593 2.055 6.233 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -6.944 0.487 6.931 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -5.948 2.665 8.794 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -7.609 2.753 8.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -7.417 1.338 10.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -7.918 0.414 8.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -6.309 0.329 9.424 1.00 0.00 H new ATOM 899 N SER A 58 -2.577 -1.536 9.282 1.00 0.00 N ATOM 900 CA SER A 58 -2.006 -1.362 10.649 1.00 0.00 C ATOM 901 C SER A 58 -0.475 -1.405 10.604 1.00 0.00 C ATOM 902 O SER A 58 0.183 -1.409 11.625 1.00 0.00 O ATOM 903 CB SER A 58 -2.552 -2.538 11.456 1.00 0.00 C ATOM 904 OG SER A 58 -2.402 -3.735 10.702 1.00 0.00 O ATOM 0 H SER A 58 -2.943 -2.466 9.079 1.00 0.00 H new ATOM 0 HA SER A 58 -2.278 -0.402 11.087 1.00 0.00 H new ATOM 0 HB2 SER A 58 -2.020 -2.622 12.403 1.00 0.00 H new ATOM 0 HB3 SER A 58 -3.603 -2.374 11.694 1.00 0.00 H new ATOM 0 HG SER A 58 -3.251 -3.956 10.266 1.00 0.00 H new ATOM 910 N LYS A 59 0.097 -1.434 9.432 1.00 0.00 N ATOM 911 CA LYS A 59 1.586 -1.471 9.334 1.00 0.00 C ATOM 912 C LYS A 59 2.157 -0.062 9.472 1.00 0.00 C ATOM 913 O LYS A 59 1.874 0.816 8.684 1.00 0.00 O ATOM 914 CB LYS A 59 1.880 -2.033 7.946 1.00 0.00 C ATOM 915 CG LYS A 59 2.042 -3.552 8.036 1.00 0.00 C ATOM 916 CD LYS A 59 3.457 -3.886 8.512 1.00 0.00 C ATOM 917 CE LYS A 59 3.409 -4.344 9.972 1.00 0.00 C ATOM 918 NZ LYS A 59 2.385 -5.425 10.003 1.00 0.00 N ATOM 0 H LYS A 59 -0.399 -1.434 8.540 1.00 0.00 H new ATOM 0 HA LYS A 59 2.036 -2.076 10.121 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.070 -1.783 7.261 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.788 -1.583 7.544 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.307 -3.967 8.726 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.857 -4.007 7.063 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.887 -4.669 7.888 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.101 -3.012 8.415 1.00 0.00 H new ATOM 0 HE2 LYS A 59 4.381 -4.711 10.303 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.136 -3.523 10.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.708 -6.191 10.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.486 -5.042 10.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.245 -5.798 9.042 1.00 0.00 H new ATOM 932 N ASP A 60 2.958 0.155 10.473 1.00 0.00 N ATOM 933 CA ASP A 60 3.555 1.504 10.681 1.00 0.00 C ATOM 934 C ASP A 60 3.977 2.125 9.346 1.00 0.00 C ATOM 935 O ASP A 60 3.506 3.179 8.968 1.00 0.00 O ATOM 936 CB ASP A 60 4.774 1.249 11.564 1.00 0.00 C ATOM 937 CG ASP A 60 4.354 1.278 13.036 1.00 0.00 C ATOM 938 OD1 ASP A 60 3.608 0.399 13.435 1.00 0.00 O ATOM 939 OD2 ASP A 60 4.787 2.177 13.738 1.00 0.00 O ATOM 0 H ASP A 60 3.228 -0.547 11.162 1.00 0.00 H new ATOM 0 HA ASP A 60 2.851 2.202 11.134 1.00 0.00 H new ATOM 0 HB2 ASP A 60 5.217 0.283 11.320 1.00 0.00 H new ATOM 0 HB3 ASP A 60 5.536 2.006 11.377 1.00 0.00 H new ATOM 944 N TRP A 61 4.861 1.486 8.629 1.00 0.00 N ATOM 945 CA TRP A 61 5.308 2.055 7.324 1.00 0.00 C ATOM 946 C TRP A 61 4.099 2.326 6.426 1.00 0.00 C ATOM 947 O TRP A 61 4.035 3.324 5.731 1.00 0.00 O ATOM 948 CB TRP A 61 6.221 0.990 6.713 1.00 0.00 C ATOM 949 CG TRP A 61 5.412 -0.137 6.156 1.00 0.00 C ATOM 950 CD1 TRP A 61 4.982 -1.201 6.864 1.00 0.00 C ATOM 951 CD2 TRP A 61 4.944 -0.337 4.793 1.00 0.00 C ATOM 952 NE1 TRP A 61 4.287 -2.051 6.021 1.00 0.00 N ATOM 953 CE2 TRP A 61 4.235 -1.559 4.732 1.00 0.00 C ATOM 954 CE3 TRP A 61 5.067 0.414 3.615 1.00 0.00 C ATOM 955 CZ2 TRP A 61 3.672 -2.019 3.539 1.00 0.00 C ATOM 956 CZ3 TRP A 61 4.497 -0.044 2.416 1.00 0.00 C ATOM 957 CH2 TRP A 61 3.802 -1.260 2.379 1.00 0.00 C ATOM 0 H TRP A 61 5.292 0.599 8.888 1.00 0.00 H new ATOM 0 HA TRP A 61 5.828 3.005 7.442 1.00 0.00 H new ATOM 0 HB2 TRP A 61 6.829 1.433 5.924 1.00 0.00 H new ATOM 0 HB3 TRP A 61 6.907 0.613 7.471 1.00 0.00 H new ATOM 0 HD1 TRP A 61 5.152 -1.364 7.918 1.00 0.00 H new ATOM 0 HE1 TRP A 61 3.865 -2.932 6.316 1.00 0.00 H new ATOM 0 HE3 TRP A 61 5.604 1.351 3.630 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 3.139 -2.958 3.517 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 4.595 0.545 1.516 1.00 0.00 H new ATOM 0 HH2 TRP A 61 3.368 -1.608 1.453 1.00 0.00 H new ATOM 968 N VAL A 62 3.136 1.452 6.441 1.00 0.00 N ATOM 969 CA VAL A 62 1.932 1.660 5.601 1.00 0.00 C ATOM 970 C VAL A 62 1.151 2.880 6.099 1.00 0.00 C ATOM 971 O VAL A 62 0.849 3.781 5.345 1.00 0.00 O ATOM 972 CB VAL A 62 1.128 0.375 5.774 1.00 0.00 C ATOM 973 CG1 VAL A 62 -0.357 0.678 5.648 1.00 0.00 C ATOM 974 CG2 VAL A 62 1.531 -0.623 4.690 1.00 0.00 C ATOM 0 H VAL A 62 3.132 0.600 7.001 1.00 0.00 H new ATOM 0 HA VAL A 62 2.166 1.854 4.554 1.00 0.00 H new ATOM 0 HB VAL A 62 1.330 -0.047 6.759 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -0.928 -0.242 5.772 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -0.649 1.393 6.417 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -0.560 1.101 4.664 1.00 0.00 H new ATOM 0 HG21 VAL A 62 0.958 -1.542 4.811 1.00 0.00 H new ATOM 0 HG22 VAL A 62 1.328 -0.195 3.708 1.00 0.00 H new ATOM 0 HG23 VAL A 62 2.595 -0.844 4.776 1.00 0.00 H new ATOM 984 N LYS A 63 0.829 2.923 7.362 1.00 0.00 N ATOM 985 CA LYS A 63 0.084 4.086 7.894 1.00 0.00 C ATOM 986 C LYS A 63 0.652 5.371 7.295 1.00 0.00 C ATOM 987 O LYS A 63 -0.074 6.214 6.808 1.00 0.00 O ATOM 988 CB LYS A 63 0.314 4.027 9.402 1.00 0.00 C ATOM 989 CG LYS A 63 -0.898 4.610 10.118 1.00 0.00 C ATOM 990 CD LYS A 63 -0.609 4.717 11.617 1.00 0.00 C ATOM 991 CE LYS A 63 0.506 5.738 11.853 1.00 0.00 C ATOM 992 NZ LYS A 63 -0.131 6.824 12.649 1.00 0.00 N ATOM 0 H LYS A 63 1.052 2.200 8.046 1.00 0.00 H new ATOM 0 HA LYS A 63 -0.978 4.068 7.649 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.476 2.996 9.717 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.211 4.586 9.667 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.134 5.594 9.712 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -1.770 3.978 9.950 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -1.510 5.018 12.151 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.315 3.744 12.011 1.00 0.00 H new ATOM 0 HE2 LYS A 63 1.342 5.292 12.391 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.900 6.118 10.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 0.571 7.564 12.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -0.919 7.234 12.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -0.490 6.434 13.543 1.00 0.00 H new ATOM 1006 N LYS A 64 1.949 5.515 7.298 1.00 0.00 N ATOM 1007 CA LYS A 64 2.549 6.735 6.695 1.00 0.00 C ATOM 1008 C LYS A 64 2.084 6.838 5.246 1.00 0.00 C ATOM 1009 O LYS A 64 1.663 7.880 4.786 1.00 0.00 O ATOM 1010 CB LYS A 64 4.064 6.519 6.769 1.00 0.00 C ATOM 1011 CG LYS A 64 4.744 7.205 5.580 1.00 0.00 C ATOM 1012 CD LYS A 64 6.160 7.625 5.974 1.00 0.00 C ATOM 1013 CE LYS A 64 6.358 9.110 5.663 1.00 0.00 C ATOM 1014 NZ LYS A 64 7.485 9.153 4.690 1.00 0.00 N ATOM 0 H LYS A 64 2.613 4.846 7.689 1.00 0.00 H new ATOM 0 HA LYS A 64 2.261 7.654 7.205 1.00 0.00 H new ATOM 0 HB2 LYS A 64 4.453 6.922 7.704 1.00 0.00 H new ATOM 0 HB3 LYS A 64 4.289 5.453 6.763 1.00 0.00 H new ATOM 0 HG2 LYS A 64 4.779 6.527 4.727 1.00 0.00 H new ATOM 0 HG3 LYS A 64 4.167 8.077 5.271 1.00 0.00 H new ATOM 0 HD2 LYS A 64 6.323 7.440 7.036 1.00 0.00 H new ATOM 0 HD3 LYS A 64 6.892 7.028 5.430 1.00 0.00 H new ATOM 0 HE2 LYS A 64 5.454 9.549 5.240 1.00 0.00 H new ATOM 0 HE3 LYS A 64 6.594 9.674 6.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 7.680 10.140 4.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 8.333 8.735 5.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 7.229 8.613 3.838 1.00 0.00 H new ATOM 1028 N LEU A 65 2.145 5.749 4.526 1.00 0.00 N ATOM 1029 CA LEU A 65 1.694 5.770 3.108 1.00 0.00 C ATOM 1030 C LEU A 65 0.253 6.275 3.028 1.00 0.00 C ATOM 1031 O LEU A 65 -0.042 7.239 2.353 1.00 0.00 O ATOM 1032 CB LEU A 65 1.776 4.314 2.644 1.00 0.00 C ATOM 1033 CG LEU A 65 3.167 4.040 2.076 1.00 0.00 C ATOM 1034 CD1 LEU A 65 3.529 2.577 2.303 1.00 0.00 C ATOM 1035 CD2 LEU A 65 3.172 4.327 0.577 1.00 0.00 C ATOM 0 H LEU A 65 2.487 4.848 4.860 1.00 0.00 H new ATOM 0 HA LEU A 65 2.302 6.429 2.488 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.573 3.643 3.479 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.017 4.119 1.886 1.00 0.00 H new ATOM 0 HG LEU A 65 3.893 4.682 2.576 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.522 2.381 1.898 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.524 2.363 3.372 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.800 1.940 1.802 1.00 0.00 H new ATOM 0 HD21 LEU A 65 4.165 4.131 0.172 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.445 3.684 0.081 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.910 5.371 0.406 1.00 0.00 H new ATOM 1064 N GLN A 67 -1.247 8.050 4.798 1.00 0.00 N ATOM 1065 CA GLN A 67 -1.329 9.479 5.220 1.00 0.00 C ATOM 1066 C GLN A 67 -0.985 10.408 4.053 1.00 0.00 C ATOM 1067 O GLN A 67 -1.604 11.437 3.864 1.00 0.00 O ATOM 1068 CB GLN A 67 -0.296 9.620 6.338 1.00 0.00 C ATOM 1069 CG GLN A 67 -0.333 11.047 6.888 1.00 0.00 C ATOM 1070 CD GLN A 67 0.593 11.151 8.102 1.00 0.00 C ATOM 1071 OE1 GLN A 67 0.162 11.508 9.180 1.00 0.00 O ATOM 1072 NE2 GLN A 67 1.856 10.851 7.970 1.00 0.00 N ATOM 0 HA GLN A 67 -2.332 9.750 5.549 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -0.506 8.906 7.134 1.00 0.00 H new ATOM 0 HB3 GLN A 67 0.700 9.390 5.959 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -0.021 11.753 6.118 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -1.352 11.313 7.171 1.00 0.00 H new ATOM 0 HE21 GLN A 67 2.217 10.551 7.064 1.00 0.00 H new ATOM 0 HE22 GLN A 67 2.482 10.916 8.772 1.00 0.00 H new ATOM 1081 N GLN A 68 0.001 10.061 3.271 1.00 0.00 N ATOM 1082 CA GLN A 68 0.383 10.935 2.124 1.00 0.00 C ATOM 1083 C GLN A 68 -0.392 10.544 0.863 1.00 0.00 C ATOM 1084 O GLN A 68 -0.612 11.352 -0.017 1.00 0.00 O ATOM 1085 CB GLN A 68 1.879 10.690 1.929 1.00 0.00 C ATOM 1086 CG GLN A 68 2.673 11.685 2.778 1.00 0.00 C ATOM 1087 CD GLN A 68 4.125 11.719 2.301 1.00 0.00 C ATOM 1088 OE1 GLN A 68 4.981 11.080 2.880 1.00 0.00 O ATOM 1089 NE2 GLN A 68 4.441 12.443 1.263 1.00 0.00 N ATOM 0 H GLN A 68 0.557 9.213 3.376 1.00 0.00 H new ATOM 0 HA GLN A 68 0.156 11.984 2.315 1.00 0.00 H new ATOM 0 HB2 GLN A 68 2.132 9.669 2.215 1.00 0.00 H new ATOM 0 HB3 GLN A 68 2.143 10.801 0.877 1.00 0.00 H new ATOM 0 HG2 GLN A 68 2.231 12.678 2.702 1.00 0.00 H new ATOM 0 HG3 GLN A 68 2.631 11.397 3.829 1.00 0.00 H new ATOM 0 HE21 GLN A 68 3.722 12.979 0.777 1.00 0.00 H new ATOM 0 HE22 GLN A 68 5.407 12.473 0.937 1.00 0.00 H new ATOM 1098 N LEU A 69 -0.800 9.311 0.766 1.00 0.00 N ATOM 1099 CA LEU A 69 -1.550 8.863 -0.440 1.00 0.00 C ATOM 1100 C LEU A 69 -3.056 9.056 -0.234 1.00 0.00 C ATOM 1101 O LEU A 69 -3.552 8.959 0.871 1.00 0.00 O ATOM 1102 CB LEU A 69 -1.224 7.377 -0.585 1.00 0.00 C ATOM 1103 CG LEU A 69 0.247 7.116 -0.259 1.00 0.00 C ATOM 1104 CD1 LEU A 69 0.397 5.706 0.302 1.00 0.00 C ATOM 1105 CD2 LEU A 69 1.084 7.235 -1.528 1.00 0.00 C ATOM 0 H LEU A 69 -0.646 8.591 1.472 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.272 9.433 -1.327 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.859 6.793 0.081 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.441 7.049 -1.602 1.00 0.00 H new ATOM 0 HG LEU A 69 0.587 7.847 0.474 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.445 5.517 0.535 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.200 5.610 1.209 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.053 4.982 -0.437 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.132 7.048 -1.292 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.741 6.504 -2.260 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.978 8.238 -1.941 1.00 0.00 H new ATOM 1117 N PRO A 70 -3.730 9.320 -1.318 1.00 0.00 N ATOM 1118 CA PRO A 70 -5.193 9.527 -1.280 1.00 0.00 C ATOM 1119 C PRO A 70 -5.925 8.182 -1.356 1.00 0.00 C ATOM 1120 O PRO A 70 -5.586 7.325 -2.147 1.00 0.00 O ATOM 1121 CB PRO A 70 -5.459 10.356 -2.531 1.00 0.00 C ATOM 1122 CG PRO A 70 -4.332 10.042 -3.474 1.00 0.00 C ATOM 1123 CD PRO A 70 -3.194 9.453 -2.672 1.00 0.00 C ATOM 0 HA PRO A 70 -5.538 10.010 -0.366 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -6.422 10.100 -2.973 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -5.488 11.420 -2.297 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -4.661 9.339 -4.239 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -4.006 10.945 -3.990 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -2.884 8.488 -3.073 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -2.318 10.102 -2.690 1.00 0.00 H new ATOM 1131 N VAL A 71 -6.930 7.992 -0.544 1.00 0.00 N ATOM 1132 CA VAL A 71 -7.679 6.701 -0.580 1.00 0.00 C ATOM 1133 C VAL A 71 -8.486 6.593 -1.876 1.00 0.00 C ATOM 1134 O VAL A 71 -9.672 6.852 -1.906 1.00 0.00 O ATOM 1135 CB VAL A 71 -8.617 6.747 0.626 1.00 0.00 C ATOM 1136 CG1 VAL A 71 -9.334 8.096 0.656 1.00 0.00 C ATOM 1137 CG2 VAL A 71 -9.650 5.625 0.509 1.00 0.00 C ATOM 0 H VAL A 71 -7.264 8.671 0.140 1.00 0.00 H new ATOM 0 HA VAL A 71 -7.011 5.840 -0.545 1.00 0.00 H new ATOM 0 HB VAL A 71 -8.042 6.618 1.543 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -10.004 8.133 1.515 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -8.599 8.897 0.735 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -9.911 8.222 -0.260 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -10.320 5.656 1.368 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -10.227 5.756 -0.406 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -9.140 4.662 0.481 1.00 0.00 H new ATOM 1147 N THR A 72 -7.845 6.212 -2.947 1.00 0.00 N ATOM 1148 CA THR A 72 -8.561 6.080 -4.250 1.00 0.00 C ATOM 1149 C THR A 72 -9.966 5.512 -4.033 1.00 0.00 C ATOM 1150 O THR A 72 -10.257 4.918 -3.014 1.00 0.00 O ATOM 1151 CB THR A 72 -7.712 5.104 -5.066 1.00 0.00 C ATOM 1152 OG1 THR A 72 -6.335 5.377 -4.847 1.00 0.00 O ATOM 1153 CG2 THR A 72 -8.034 5.254 -6.552 1.00 0.00 C ATOM 0 H THR A 72 -6.851 5.985 -2.977 1.00 0.00 H new ATOM 0 HA THR A 72 -8.683 7.040 -4.752 1.00 0.00 H new ATOM 0 HB THR A 72 -7.935 4.084 -4.753 1.00 0.00 H new ATOM 0 HG1 THR A 72 -5.979 4.752 -4.181 1.00 0.00 H new ATOM 0 HG21 THR A 72 -7.426 4.556 -7.128 1.00 0.00 H new ATOM 0 HG22 THR A 72 -9.090 5.039 -6.719 1.00 0.00 H new ATOM 0 HG23 THR A 72 -7.816 6.273 -6.870 1.00 0.00 H new