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 25 GLN : amide:sc= -2.86! C(o=-2.4!,f=-6.4!) USER MOD Set 1.2: A 68 GLN : amide:sc= 0.507 K(o=-2.4,f=-11!) USER MOD Set 2.1: A 58 SER OG : rot -108:sc= -2.25! USER MOD Set 2.2: A 59 LYS NZ :NH3+ 147:sc= -0.0898 (180deg=-1.22) USER MOD Set 3.1: A 29 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 30 SER OG : rot 180:sc=0.000802 USER MOD Set 3.3: A 72 THR OG1 : rot -138:sc= -0.262 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -13.5! C(o=-13!,f=-17!) 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 160:sc= 0.604 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= 0.281 K(o=0.28,f=-6.9!) USER MOD Single : A 54 CYS SG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 -0.730 -9.112 2.418 1.00 0.00 N ATOM 240 CA TYR A 18 -0.124 -7.890 3.010 1.00 0.00 C ATOM 241 C TYR A 18 1.349 -7.811 2.614 1.00 0.00 C ATOM 242 O TYR A 18 2.124 -8.710 2.872 1.00 0.00 O ATOM 243 CB TYR A 18 -0.281 -8.040 4.520 1.00 0.00 C ATOM 244 CG TYR A 18 -1.749 -8.008 4.886 1.00 0.00 C ATOM 245 CD1 TYR A 18 -2.692 -7.491 3.985 1.00 0.00 C ATOM 246 CD2 TYR A 18 -2.167 -8.498 6.129 1.00 0.00 C ATOM 247 CE1 TYR A 18 -4.049 -7.467 4.329 1.00 0.00 C ATOM 248 CE2 TYR A 18 -3.524 -8.472 6.473 1.00 0.00 C ATOM 249 CZ TYR A 18 -4.465 -7.957 5.574 1.00 0.00 C ATOM 250 OH TYR A 18 -5.802 -7.933 5.912 1.00 0.00 O ATOM 0 HA TYR A 18 -0.602 -6.975 2.660 1.00 0.00 H new ATOM 0 HB2 TYR A 18 0.166 -8.978 4.850 1.00 0.00 H new ATOM 0 HB3 TYR A 18 0.249 -7.237 5.032 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -2.371 -7.112 3.026 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -1.442 -8.896 6.823 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -4.775 -7.071 3.635 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -3.845 -8.850 7.433 1.00 0.00 H new ATOM 0 HH TYR A 18 -5.920 -8.311 6.809 1.00 0.00 H new ATOM 260 N GLN A 19 1.733 -6.744 1.976 1.00 0.00 N ATOM 261 CA GLN A 19 3.150 -6.602 1.543 1.00 0.00 C ATOM 262 C GLN A 19 4.096 -7.085 2.642 1.00 0.00 C ATOM 263 O GLN A 19 4.044 -6.632 3.769 1.00 0.00 O ATOM 264 CB GLN A 19 3.335 -5.105 1.268 1.00 0.00 C ATOM 265 CG GLN A 19 4.778 -4.686 1.548 1.00 0.00 C ATOM 266 CD GLN A 19 5.640 -4.997 0.326 1.00 0.00 C ATOM 267 OE1 GLN A 19 6.345 -4.140 -0.169 1.00 0.00 O ATOM 268 NE2 GLN A 19 5.616 -6.195 -0.181 1.00 0.00 N ATOM 0 H GLN A 19 1.126 -5.961 1.734 1.00 0.00 H new ATOM 0 HA GLN A 19 3.375 -7.202 0.661 1.00 0.00 H new ATOM 0 HB2 GLN A 19 3.080 -4.885 0.231 1.00 0.00 H new ATOM 0 HB3 GLN A 19 2.654 -4.527 1.893 1.00 0.00 H new ATOM 0 HG2 GLN A 19 4.822 -3.621 1.777 1.00 0.00 H new ATOM 0 HG3 GLN A 19 5.160 -5.216 2.421 1.00 0.00 H new ATOM 0 HE21 GLN A 19 5.024 -6.913 0.236 1.00 0.00 H new ATOM 0 HE22 GLN A 19 6.190 -6.416 -0.995 1.00 0.00 H new ATOM 277 N LYS A 20 4.970 -7.991 2.313 1.00 0.00 N ATOM 278 CA LYS A 20 5.938 -8.499 3.325 1.00 0.00 C ATOM 279 C LYS A 20 7.186 -7.617 3.310 1.00 0.00 C ATOM 280 O LYS A 20 7.727 -7.266 4.340 1.00 0.00 O ATOM 281 CB LYS A 20 6.274 -9.922 2.880 1.00 0.00 C ATOM 282 CG LYS A 20 5.348 -10.910 3.593 1.00 0.00 C ATOM 283 CD LYS A 20 6.187 -11.940 4.352 1.00 0.00 C ATOM 284 CE LYS A 20 5.265 -12.986 4.983 1.00 0.00 C ATOM 285 NZ LYS A 20 4.862 -12.402 6.292 1.00 0.00 N ATOM 0 H LYS A 20 5.057 -8.404 1.384 1.00 0.00 H new ATOM 0 HA LYS A 20 5.538 -8.486 4.339 1.00 0.00 H new ATOM 0 HB2 LYS A 20 6.159 -10.014 1.800 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.315 -10.151 3.110 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.694 -10.378 4.284 1.00 0.00 H new ATOM 0 HG3 LYS A 20 4.706 -11.411 2.868 1.00 0.00 H new ATOM 0 HD2 LYS A 20 6.891 -12.422 3.674 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.776 -11.446 5.125 1.00 0.00 H new ATOM 0 HE2 LYS A 20 4.397 -13.179 4.353 1.00 0.00 H new ATOM 0 HE3 LYS A 20 5.780 -13.937 5.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 4.228 -13.062 6.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 5.708 -12.235 6.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.368 -11.501 6.133 1.00 0.00 H new ATOM 299 N ARG A 21 7.632 -7.245 2.143 1.00 0.00 N ATOM 300 CA ARG A 21 8.831 -6.368 2.043 1.00 0.00 C ATOM 301 C ARG A 21 8.428 -4.922 2.307 1.00 0.00 C ATOM 302 O ARG A 21 7.286 -4.551 2.132 1.00 0.00 O ATOM 303 CB ARG A 21 9.327 -6.535 0.607 1.00 0.00 C ATOM 304 CG ARG A 21 10.561 -7.440 0.597 1.00 0.00 C ATOM 305 CD ARG A 21 11.763 -6.659 0.064 1.00 0.00 C ATOM 306 NE ARG A 21 12.742 -7.700 -0.356 1.00 0.00 N ATOM 307 CZ ARG A 21 13.043 -7.841 -1.618 1.00 0.00 C ATOM 308 NH1 ARG A 21 12.193 -8.401 -2.433 1.00 0.00 N ATOM 309 NH2 ARG A 21 14.194 -7.419 -2.065 1.00 0.00 N ATOM 0 H ARG A 21 7.216 -7.512 1.251 1.00 0.00 H new ATOM 0 HA ARG A 21 9.603 -6.627 2.767 1.00 0.00 H new ATOM 0 HB2 ARG A 21 8.541 -6.966 -0.013 1.00 0.00 H new ATOM 0 HB3 ARG A 21 9.572 -5.563 0.180 1.00 0.00 H new ATOM 0 HG2 ARG A 21 10.767 -7.803 1.604 1.00 0.00 H new ATOM 0 HG3 ARG A 21 10.378 -8.316 -0.026 1.00 0.00 H new ATOM 0 HD2 ARG A 21 11.480 -6.022 -0.774 1.00 0.00 H new ATOM 0 HD3 ARG A 21 12.183 -6.008 0.831 1.00 0.00 H new ATOM 0 HE ARG A 21 13.177 -8.303 0.343 1.00 0.00 H new ATOM 0 HH11 ARG A 21 11.292 -8.729 -2.084 1.00 0.00 H new ATOM 0 HH12 ARG A 21 12.429 -8.511 -3.419 1.00 0.00 H new ATOM 0 HH21 ARG A 21 14.858 -6.979 -1.428 1.00 0.00 H new ATOM 0 HH22 ARG A 21 14.429 -7.529 -3.051 1.00 0.00 H new ATOM 323 N PRO A 22 9.385 -4.153 2.720 1.00 0.00 N ATOM 324 CA PRO A 22 9.135 -2.726 3.013 1.00 0.00 C ATOM 325 C PRO A 22 8.849 -1.953 1.733 1.00 0.00 C ATOM 326 O PRO A 22 9.506 -2.118 0.724 1.00 0.00 O ATOM 327 CB PRO A 22 10.424 -2.259 3.667 1.00 0.00 C ATOM 328 CG PRO A 22 11.469 -3.217 3.186 1.00 0.00 C ATOM 329 CD PRO A 22 10.779 -4.532 2.951 1.00 0.00 C ATOM 0 HA PRO A 22 8.265 -2.569 3.651 1.00 0.00 H new ATOM 0 HB2 PRO A 22 10.664 -1.235 3.380 1.00 0.00 H new ATOM 0 HB3 PRO A 22 10.344 -2.275 4.754 1.00 0.00 H new ATOM 0 HG2 PRO A 22 11.933 -2.854 2.269 1.00 0.00 H new ATOM 0 HG3 PRO A 22 12.264 -3.324 3.924 1.00 0.00 H new ATOM 0 HD2 PRO A 22 11.199 -5.057 2.093 1.00 0.00 H new ATOM 0 HD3 PRO A 22 10.877 -5.195 3.810 1.00 0.00 H new ATOM 337 N LEU A 23 7.859 -1.117 1.774 1.00 0.00 N ATOM 338 CA LEU A 23 7.493 -0.323 0.575 1.00 0.00 C ATOM 339 C LEU A 23 7.461 1.170 0.901 1.00 0.00 C ATOM 340 O LEU A 23 6.853 1.585 1.868 1.00 0.00 O ATOM 341 CB LEU A 23 6.107 -0.823 0.195 1.00 0.00 C ATOM 342 CG LEU A 23 6.214 -1.626 -1.091 1.00 0.00 C ATOM 343 CD1 LEU A 23 4.903 -2.373 -1.344 1.00 0.00 C ATOM 344 CD2 LEU A 23 6.497 -0.672 -2.255 1.00 0.00 C ATOM 0 H LEU A 23 7.280 -0.947 2.596 1.00 0.00 H new ATOM 0 HA LEU A 23 8.212 -0.442 -0.235 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.696 -1.441 0.993 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.426 0.017 0.060 1.00 0.00 H new ATOM 0 HG LEU A 23 7.024 -2.350 -1.004 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.984 -2.947 -2.267 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.703 -3.049 -0.512 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.087 -1.656 -1.433 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.575 -1.241 -3.181 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.684 0.049 -2.340 1.00 0.00 H new ATOM 0 HD23 LEU A 23 7.433 -0.144 -2.073 1.00 0.00 H new ATOM 356 N PRO A 24 8.126 1.928 0.073 1.00 0.00 N ATOM 357 CA PRO A 24 8.184 3.394 0.260 1.00 0.00 C ATOM 358 C PRO A 24 6.865 4.040 -0.172 1.00 0.00 C ATOM 359 O PRO A 24 5.937 3.372 -0.581 1.00 0.00 O ATOM 360 CB PRO A 24 9.321 3.828 -0.660 1.00 0.00 C ATOM 361 CG PRO A 24 9.398 2.767 -1.713 1.00 0.00 C ATOM 362 CD PRO A 24 8.877 1.489 -1.106 1.00 0.00 C ATOM 0 HA PRO A 24 8.344 3.686 1.298 1.00 0.00 H new ATOM 0 HB2 PRO A 24 9.121 4.805 -1.099 1.00 0.00 H new ATOM 0 HB3 PRO A 24 10.261 3.910 -0.114 1.00 0.00 H new ATOM 0 HG2 PRO A 24 8.806 3.047 -2.584 1.00 0.00 H new ATOM 0 HG3 PRO A 24 10.425 2.639 -2.054 1.00 0.00 H new ATOM 0 HD2 PRO A 24 8.239 0.948 -1.805 1.00 0.00 H new ATOM 0 HD3 PRO A 24 9.691 0.818 -0.832 1.00 0.00 H new ATOM 370 N GLN A 25 6.783 5.335 -0.081 1.00 0.00 N ATOM 371 CA GLN A 25 5.538 6.042 -0.481 1.00 0.00 C ATOM 372 C GLN A 25 5.829 7.017 -1.623 1.00 0.00 C ATOM 373 O GLN A 25 5.011 7.231 -2.495 1.00 0.00 O ATOM 374 CB GLN A 25 5.103 6.801 0.773 1.00 0.00 C ATOM 375 CG GLN A 25 3.811 7.569 0.486 1.00 0.00 C ATOM 376 CD GLN A 25 4.146 8.878 -0.234 1.00 0.00 C ATOM 377 OE1 GLN A 25 3.828 9.045 -1.395 1.00 0.00 O ATOM 378 NE2 GLN A 25 4.775 9.821 0.412 1.00 0.00 N ATOM 0 H GLN A 25 7.532 5.940 0.256 1.00 0.00 H new ATOM 0 HA GLN A 25 4.767 5.359 -0.837 1.00 0.00 H new ATOM 0 HB2 GLN A 25 4.948 6.104 1.597 1.00 0.00 H new ATOM 0 HB3 GLN A 25 5.887 7.492 1.083 1.00 0.00 H new ATOM 0 HG2 GLN A 25 3.144 6.964 -0.128 1.00 0.00 H new ATOM 0 HG3 GLN A 25 3.285 7.778 1.417 1.00 0.00 H new ATOM 0 HE21 GLN A 25 5.042 9.681 1.386 1.00 0.00 H new ATOM 0 HE22 GLN A 25 5.000 10.698 -0.057 1.00 0.00 H new ATOM 387 N VAL A 26 6.993 7.609 -1.624 1.00 0.00 N ATOM 388 CA VAL A 26 7.346 8.569 -2.702 1.00 0.00 C ATOM 389 C VAL A 26 7.454 7.842 -4.047 1.00 0.00 C ATOM 390 O VAL A 26 7.621 8.456 -5.082 1.00 0.00 O ATOM 391 CB VAL A 26 8.695 9.137 -2.270 1.00 0.00 C ATOM 392 CG1 VAL A 26 9.519 9.508 -3.500 1.00 0.00 C ATOM 393 CG2 VAL A 26 8.471 10.383 -1.410 1.00 0.00 C ATOM 0 H VAL A 26 7.716 7.466 -0.919 1.00 0.00 H new ATOM 0 HA VAL A 26 6.598 9.350 -2.839 1.00 0.00 H new ATOM 0 HB VAL A 26 9.233 8.386 -1.692 1.00 0.00 H new ATOM 0 HG11 VAL A 26 10.481 9.913 -3.185 1.00 0.00 H new ATOM 0 HG12 VAL A 26 9.682 8.620 -4.110 1.00 0.00 H new ATOM 0 HG13 VAL A 26 8.984 10.257 -4.084 1.00 0.00 H new ATOM 0 HG21 VAL A 26 9.434 10.790 -1.101 1.00 0.00 H new ATOM 0 HG22 VAL A 26 7.930 11.132 -1.988 1.00 0.00 H new ATOM 0 HG23 VAL A 26 7.890 10.116 -0.527 1.00 0.00 H new ATOM 403 N LEU A 27 7.357 6.540 -4.043 1.00 0.00 N ATOM 404 CA LEU A 27 7.454 5.782 -5.323 1.00 0.00 C ATOM 405 C LEU A 27 6.060 5.357 -5.794 1.00 0.00 C ATOM 406 O LEU A 27 5.839 5.107 -6.962 1.00 0.00 O ATOM 407 CB LEU A 27 8.304 4.555 -4.997 1.00 0.00 C ATOM 408 CG LEU A 27 9.787 4.915 -5.113 1.00 0.00 C ATOM 409 CD1 LEU A 27 10.228 5.669 -3.859 1.00 0.00 C ATOM 410 CD2 LEU A 27 10.611 3.634 -5.253 1.00 0.00 C ATOM 0 H LEU A 27 7.215 5.969 -3.210 1.00 0.00 H new ATOM 0 HA LEU A 27 7.892 6.380 -6.122 1.00 0.00 H new ATOM 0 HB2 LEU A 27 8.082 4.203 -3.989 1.00 0.00 H new ATOM 0 HB3 LEU A 27 8.062 3.740 -5.680 1.00 0.00 H new ATOM 0 HG LEU A 27 9.941 5.545 -5.989 1.00 0.00 H new ATOM 0 HD11 LEU A 27 11.284 5.926 -3.941 1.00 0.00 H new ATOM 0 HD12 LEU A 27 9.640 6.581 -3.757 1.00 0.00 H new ATOM 0 HD13 LEU A 27 10.075 5.039 -2.983 1.00 0.00 H new ATOM 0 HD21 LEU A 27 11.668 3.888 -5.336 1.00 0.00 H new ATOM 0 HD22 LEU A 27 10.457 3.005 -4.377 1.00 0.00 H new ATOM 0 HD23 LEU A 27 10.296 3.095 -6.147 1.00 0.00 H new ATOM 422 N LEU A 28 5.118 5.265 -4.894 1.00 0.00 N ATOM 423 CA LEU A 28 3.747 4.849 -5.292 1.00 0.00 C ATOM 424 C LEU A 28 2.851 6.075 -5.484 1.00 0.00 C ATOM 425 O LEU A 28 3.218 7.183 -5.145 1.00 0.00 O ATOM 426 CB LEU A 28 3.249 3.998 -4.128 1.00 0.00 C ATOM 427 CG LEU A 28 4.264 2.891 -3.835 1.00 0.00 C ATOM 428 CD1 LEU A 28 4.219 2.537 -2.347 1.00 0.00 C ATOM 429 CD2 LEU A 28 3.920 1.653 -4.666 1.00 0.00 C ATOM 0 H LEU A 28 5.241 5.461 -3.901 1.00 0.00 H new ATOM 0 HA LEU A 28 3.736 4.304 -6.236 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.107 4.619 -3.244 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.280 3.563 -4.370 1.00 0.00 H new ATOM 0 HG LEU A 28 5.265 3.237 -4.094 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.942 1.748 -2.139 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.464 3.419 -1.756 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.219 2.191 -2.085 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.642 0.863 -4.459 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.919 1.307 -4.406 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.953 1.906 -5.726 1.00 0.00 H new ATOM 441 N SER A 29 1.679 5.890 -6.033 1.00 0.00 N ATOM 442 CA SER A 29 0.773 7.053 -6.252 1.00 0.00 C ATOM 443 C SER A 29 -0.246 7.181 -5.116 1.00 0.00 C ATOM 444 O SER A 29 -0.163 8.069 -4.292 1.00 0.00 O ATOM 445 CB SER A 29 0.064 6.763 -7.572 1.00 0.00 C ATOM 446 OG SER A 29 -0.757 7.870 -7.917 1.00 0.00 O ATOM 0 H SER A 29 1.312 4.988 -6.337 1.00 0.00 H new ATOM 0 HA SER A 29 1.326 7.992 -6.277 1.00 0.00 H new ATOM 0 HB2 SER A 29 0.796 6.579 -8.359 1.00 0.00 H new ATOM 0 HB3 SER A 29 -0.541 5.861 -7.483 1.00 0.00 H new ATOM 0 HG SER A 29 -1.213 7.688 -8.765 1.00 0.00 H new ATOM 452 N SER A 30 -1.217 6.312 -5.076 1.00 0.00 N ATOM 453 CA SER A 30 -2.251 6.402 -4.001 1.00 0.00 C ATOM 454 C SER A 30 -2.612 5.010 -3.473 1.00 0.00 C ATOM 455 O SER A 30 -1.888 4.055 -3.662 1.00 0.00 O ATOM 456 CB SER A 30 -3.460 7.045 -4.678 1.00 0.00 C ATOM 457 OG SER A 30 -3.625 6.483 -5.973 1.00 0.00 O ATOM 0 H SER A 30 -1.342 5.545 -5.737 1.00 0.00 H new ATOM 0 HA SER A 30 -1.900 6.976 -3.144 1.00 0.00 H new ATOM 0 HB2 SER A 30 -4.357 6.880 -4.080 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.320 8.123 -4.752 1.00 0.00 H new ATOM 0 HG SER A 30 -4.401 6.892 -6.410 1.00 0.00 H new ATOM 463 N TRP A 31 -3.731 4.896 -2.809 1.00 0.00 N ATOM 464 CA TRP A 31 -4.155 3.574 -2.263 1.00 0.00 C ATOM 465 C TRP A 31 -5.665 3.566 -2.034 1.00 0.00 C ATOM 466 O TRP A 31 -6.311 4.593 -2.052 1.00 0.00 O ATOM 467 CB TRP A 31 -3.437 3.443 -0.920 1.00 0.00 C ATOM 468 CG TRP A 31 -3.968 4.475 0.016 1.00 0.00 C ATOM 469 CD1 TRP A 31 -3.749 5.798 -0.107 1.00 0.00 C ATOM 470 CD2 TRP A 31 -4.799 4.302 1.201 1.00 0.00 C ATOM 471 NE1 TRP A 31 -4.381 6.457 0.930 1.00 0.00 N ATOM 472 CE2 TRP A 31 -5.045 5.578 1.764 1.00 0.00 C ATOM 473 CE3 TRP A 31 -5.354 3.179 1.839 1.00 0.00 C ATOM 474 CZ2 TRP A 31 -5.816 5.733 2.916 1.00 0.00 C ATOM 475 CZ3 TRP A 31 -6.132 3.331 2.999 1.00 0.00 C ATOM 476 CH2 TRP A 31 -6.361 4.606 3.536 1.00 0.00 C ATOM 0 H TRP A 31 -4.373 5.666 -2.620 1.00 0.00 H new ATOM 0 HA TRP A 31 -3.914 2.757 -2.943 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -3.590 2.446 -0.507 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -2.363 3.572 -1.053 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -3.172 6.268 -0.890 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -4.360 7.468 1.063 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -5.181 2.193 1.435 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -5.990 6.717 3.326 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -6.556 2.462 3.479 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -6.959 4.717 4.429 1.00 0.00 H new ATOM 487 N TYR A 32 -6.228 2.418 -1.798 1.00 0.00 N ATOM 488 CA TYR A 32 -7.695 2.353 -1.544 1.00 0.00 C ATOM 489 C TYR A 32 -8.038 1.077 -0.771 1.00 0.00 C ATOM 490 O TYR A 32 -7.501 0.022 -1.036 1.00 0.00 O ATOM 491 CB TYR A 32 -8.357 2.390 -2.925 1.00 0.00 C ATOM 492 CG TYR A 32 -8.240 1.051 -3.603 1.00 0.00 C ATOM 493 CD1 TYR A 32 -8.970 -0.036 -3.124 1.00 0.00 C ATOM 494 CD2 TYR A 32 -7.412 0.905 -4.720 1.00 0.00 C ATOM 495 CE1 TYR A 32 -8.874 -1.278 -3.757 1.00 0.00 C ATOM 496 CE2 TYR A 32 -7.315 -0.337 -5.358 1.00 0.00 C ATOM 497 CZ TYR A 32 -8.045 -1.430 -4.877 1.00 0.00 C ATOM 498 OH TYR A 32 -7.950 -2.654 -5.506 1.00 0.00 O ATOM 0 H TYR A 32 -5.740 1.523 -1.769 1.00 0.00 H new ATOM 0 HA TYR A 32 -8.050 3.181 -0.931 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -9.408 2.662 -2.824 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -7.887 3.158 -3.540 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -9.611 0.082 -2.263 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -6.848 1.749 -5.090 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -9.438 -2.120 -3.384 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -6.677 -0.452 -6.222 1.00 0.00 H new ATOM 0 HH TYR A 32 -7.334 -2.585 -6.265 1.00 0.00 H new ATOM 508 N PRO A 33 -8.912 1.237 0.185 1.00 0.00 N ATOM 509 CA PRO A 33 -9.332 0.102 1.048 1.00 0.00 C ATOM 510 C PRO A 33 -10.132 -0.929 0.246 1.00 0.00 C ATOM 511 O PRO A 33 -10.710 -0.621 -0.776 1.00 0.00 O ATOM 512 CB PRO A 33 -10.197 0.770 2.112 1.00 0.00 C ATOM 513 CG PRO A 33 -10.688 2.018 1.465 1.00 0.00 C ATOM 514 CD PRO A 33 -9.592 2.481 0.548 1.00 0.00 C ATOM 0 HA PRO A 33 -8.492 -0.448 1.471 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -11.024 0.127 2.412 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -9.621 0.989 3.011 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -11.607 1.831 0.909 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -10.916 2.778 2.212 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -9.990 2.993 -0.328 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -8.918 3.178 1.046 1.00 0.00 H new ATOM 522 N THR A 34 -10.160 -2.154 0.696 1.00 0.00 N ATOM 523 CA THR A 34 -10.911 -3.206 -0.054 1.00 0.00 C ATOM 524 C THR A 34 -12.169 -3.626 0.713 1.00 0.00 C ATOM 525 O THR A 34 -12.574 -2.988 1.664 1.00 0.00 O ATOM 526 CB THR A 34 -9.946 -4.392 -0.172 1.00 0.00 C ATOM 527 OG1 THR A 34 -10.277 -5.366 0.809 1.00 0.00 O ATOM 528 CG2 THR A 34 -8.505 -3.921 0.043 1.00 0.00 C ATOM 0 H THR A 34 -9.698 -2.473 1.547 1.00 0.00 H new ATOM 0 HA THR A 34 -11.238 -2.844 -1.029 1.00 0.00 H new ATOM 0 HB THR A 34 -10.033 -4.826 -1.168 1.00 0.00 H new ATOM 0 HG1 THR A 34 -9.663 -6.126 0.735 1.00 0.00 H new ATOM 0 HG21 THR A 34 -7.828 -4.771 -0.043 1.00 0.00 H new ATOM 0 HG22 THR A 34 -8.250 -3.176 -0.710 1.00 0.00 H new ATOM 0 HG23 THR A 34 -8.410 -3.481 1.036 1.00 0.00 H new ATOM 640 N GLY A 42 -7.725 -5.669 3.368 1.00 0.00 N ATOM 641 CA GLY A 42 -7.029 -4.598 4.137 1.00 0.00 C ATOM 642 C GLY A 42 -6.850 -3.365 3.252 1.00 0.00 C ATOM 643 O GLY A 42 -7.809 -2.768 2.801 1.00 0.00 O ATOM 0 HA2 GLY A 42 -7.606 -4.340 5.025 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -6.058 -4.955 4.481 1.00 0.00 H new ATOM 647 N VAL A 43 -5.631 -2.977 2.997 1.00 0.00 N ATOM 648 CA VAL A 43 -5.397 -1.780 2.139 1.00 0.00 C ATOM 649 C VAL A 43 -4.538 -2.148 0.931 1.00 0.00 C ATOM 650 O VAL A 43 -3.595 -2.909 1.030 1.00 0.00 O ATOM 651 CB VAL A 43 -4.655 -0.783 3.032 1.00 0.00 C ATOM 652 CG1 VAL A 43 -3.716 0.077 2.182 1.00 0.00 C ATOM 653 CG2 VAL A 43 -5.664 0.132 3.726 1.00 0.00 C ATOM 0 H VAL A 43 -4.788 -3.435 3.344 1.00 0.00 H new ATOM 0 HA VAL A 43 -6.330 -1.369 1.753 1.00 0.00 H new ATOM 0 HB VAL A 43 -4.079 -1.335 3.775 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.191 0.785 2.823 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -2.992 -0.564 1.679 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -4.296 0.623 1.438 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.134 0.842 4.362 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -6.238 0.675 2.976 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.340 -0.468 4.336 1.00 0.00 H new ATOM 663 N ILE A 44 -4.843 -1.589 -0.203 1.00 0.00 N ATOM 664 CA ILE A 44 -4.031 -1.876 -1.415 1.00 0.00 C ATOM 665 C ILE A 44 -3.441 -0.566 -1.929 1.00 0.00 C ATOM 666 O ILE A 44 -4.100 0.455 -1.951 1.00 0.00 O ATOM 667 CB ILE A 44 -4.998 -2.502 -2.431 1.00 0.00 C ATOM 668 CG1 ILE A 44 -4.477 -2.274 -3.859 1.00 0.00 C ATOM 669 CG2 ILE A 44 -6.388 -1.885 -2.287 1.00 0.00 C ATOM 670 CD1 ILE A 44 -4.764 -0.837 -4.306 1.00 0.00 C ATOM 0 H ILE A 44 -5.621 -0.944 -0.344 1.00 0.00 H new ATOM 0 HA ILE A 44 -3.200 -2.554 -1.222 1.00 0.00 H new ATOM 0 HB ILE A 44 -5.063 -3.573 -2.238 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -3.405 -2.467 -3.897 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -4.952 -2.977 -4.543 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -7.064 -2.337 -3.013 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -6.764 -2.065 -1.280 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -6.330 -0.811 -2.466 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -4.390 -0.689 -5.319 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -5.839 -0.658 -4.287 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -4.268 -0.140 -3.631 1.00 0.00 H new ATOM 682 N PHE A 45 -2.201 -0.575 -2.319 1.00 0.00 N ATOM 683 CA PHE A 45 -1.572 0.678 -2.802 1.00 0.00 C ATOM 684 C PHE A 45 -1.343 0.621 -4.312 1.00 0.00 C ATOM 685 O PHE A 45 -0.949 -0.392 -4.853 1.00 0.00 O ATOM 686 CB PHE A 45 -0.225 0.728 -2.080 1.00 0.00 C ATOM 687 CG PHE A 45 -0.429 1.026 -0.615 1.00 0.00 C ATOM 688 CD1 PHE A 45 -0.615 2.344 -0.186 1.00 0.00 C ATOM 689 CD2 PHE A 45 -0.426 -0.020 0.317 1.00 0.00 C ATOM 690 CE1 PHE A 45 -0.799 2.618 1.174 1.00 0.00 C ATOM 691 CE2 PHE A 45 -0.607 0.254 1.676 1.00 0.00 C ATOM 692 CZ PHE A 45 -0.794 1.572 2.105 1.00 0.00 C ATOM 0 H PHE A 45 -1.596 -1.396 -2.324 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.195 1.551 -2.607 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.293 -0.224 -2.196 1.00 0.00 H new ATOM 0 HB3 PHE A 45 0.408 1.493 -2.529 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -0.617 3.150 -0.904 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -0.284 -1.038 -0.014 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -0.945 3.636 1.505 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -0.602 -0.552 2.395 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.935 1.783 3.155 1.00 0.00 H new ATOM 702 N LEU A 46 -1.562 1.710 -4.990 1.00 0.00 N ATOM 703 CA LEU A 46 -1.331 1.727 -6.459 1.00 0.00 C ATOM 704 C LEU A 46 -0.101 2.582 -6.753 1.00 0.00 C ATOM 705 O LEU A 46 -0.033 3.740 -6.385 1.00 0.00 O ATOM 706 CB LEU A 46 -2.582 2.362 -7.063 1.00 0.00 C ATOM 707 CG LEU A 46 -3.311 1.344 -7.944 1.00 0.00 C ATOM 708 CD1 LEU A 46 -3.321 -0.021 -7.254 1.00 0.00 C ATOM 709 CD2 LEU A 46 -4.752 1.808 -8.173 1.00 0.00 C ATOM 0 H LEU A 46 -1.891 2.589 -4.591 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.157 0.733 -6.871 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.244 2.708 -6.269 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.308 3.236 -7.653 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.796 1.262 -8.901 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -3.841 -0.743 -7.884 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.296 -0.354 -7.090 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.834 0.060 -6.295 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.272 1.084 -8.800 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -5.264 1.892 -7.214 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.747 2.779 -8.668 1.00 0.00 H new ATOM 721 N THR A 47 0.874 2.019 -7.401 1.00 0.00 N ATOM 722 CA THR A 47 2.109 2.794 -7.705 1.00 0.00 C ATOM 723 C THR A 47 1.773 4.014 -8.557 1.00 0.00 C ATOM 724 O THR A 47 0.671 4.518 -8.532 1.00 0.00 O ATOM 725 CB THR A 47 3.004 1.830 -8.486 1.00 0.00 C ATOM 726 OG1 THR A 47 2.472 1.646 -9.794 1.00 0.00 O ATOM 727 CG2 THR A 47 3.061 0.484 -7.762 1.00 0.00 C ATOM 0 H THR A 47 0.872 1.055 -7.735 1.00 0.00 H new ATOM 0 HA THR A 47 2.595 3.161 -6.801 1.00 0.00 H new ATOM 0 HB THR A 47 4.010 2.244 -8.557 1.00 0.00 H new ATOM 0 HG1 THR A 47 3.174 1.309 -10.388 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.699 -0.202 -8.319 1.00 0.00 H new ATOM 0 HG22 THR A 47 3.468 0.626 -6.761 1.00 0.00 H new ATOM 0 HG23 THR A 47 2.056 0.067 -7.689 1.00 0.00 H new ATOM 735 N LYS A 48 2.720 4.480 -9.320 1.00 0.00 N ATOM 736 CA LYS A 48 2.468 5.655 -10.198 1.00 0.00 C ATOM 737 C LYS A 48 2.561 5.204 -11.654 1.00 0.00 C ATOM 738 O LYS A 48 2.681 6.000 -12.564 1.00 0.00 O ATOM 739 CB LYS A 48 3.580 6.648 -9.865 1.00 0.00 C ATOM 740 CG LYS A 48 3.127 7.554 -8.719 1.00 0.00 C ATOM 741 CD LYS A 48 4.263 8.502 -8.338 1.00 0.00 C ATOM 742 CE LYS A 48 3.751 9.533 -7.331 1.00 0.00 C ATOM 743 NZ LYS A 48 4.961 10.287 -6.904 1.00 0.00 N ATOM 0 H LYS A 48 3.663 4.095 -9.374 1.00 0.00 H new ATOM 0 HA LYS A 48 1.485 6.101 -10.049 1.00 0.00 H new ATOM 0 HB2 LYS A 48 4.487 6.114 -9.584 1.00 0.00 H new ATOM 0 HB3 LYS A 48 3.822 7.247 -10.743 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.248 8.125 -9.018 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.838 6.952 -7.858 1.00 0.00 H new ATOM 0 HD2 LYS A 48 5.092 7.939 -7.909 1.00 0.00 H new ATOM 0 HD3 LYS A 48 4.645 9.004 -9.227 1.00 0.00 H new ATOM 0 HE2 LYS A 48 3.013 10.195 -7.784 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.267 9.050 -6.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 4.690 11.014 -6.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 5.643 9.632 -6.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 5.396 10.742 -7.732 1.00 0.00 H new ATOM 757 N ARG A 49 2.516 3.917 -11.868 1.00 0.00 N ATOM 758 CA ARG A 49 2.610 3.374 -13.249 1.00 0.00 C ATOM 759 C ARG A 49 1.417 2.462 -13.540 1.00 0.00 C ATOM 760 O ARG A 49 0.483 2.838 -14.220 1.00 0.00 O ATOM 761 CB ARG A 49 3.908 2.570 -13.250 1.00 0.00 C ATOM 762 CG ARG A 49 5.070 3.469 -13.675 1.00 0.00 C ATOM 763 CD ARG A 49 4.979 3.747 -15.177 1.00 0.00 C ATOM 764 NE ARG A 49 5.538 2.530 -15.828 1.00 0.00 N ATOM 765 CZ ARG A 49 5.585 2.449 -17.130 1.00 0.00 C ATOM 766 NH1 ARG A 49 4.483 2.314 -17.816 1.00 0.00 N ATOM 767 NH2 ARG A 49 6.735 2.500 -17.746 1.00 0.00 N ATOM 0 H ARG A 49 2.417 3.213 -11.136 1.00 0.00 H new ATOM 0 HA ARG A 49 2.603 4.155 -14.009 1.00 0.00 H new ATOM 0 HB2 ARG A 49 4.095 2.162 -12.257 1.00 0.00 H new ATOM 0 HB3 ARG A 49 3.822 1.723 -13.931 1.00 0.00 H new ATOM 0 HG2 ARG A 49 5.041 4.406 -13.119 1.00 0.00 H new ATOM 0 HG3 ARG A 49 6.020 2.989 -13.440 1.00 0.00 H new ATOM 0 HD2 ARG A 49 3.948 3.921 -15.485 1.00 0.00 H new ATOM 0 HD3 ARG A 49 5.547 4.637 -15.449 1.00 0.00 H new ATOM 0 HE ARG A 49 5.884 1.759 -15.256 1.00 0.00 H new ATOM 0 HH11 ARG A 49 3.585 2.272 -17.335 1.00 0.00 H new ATOM 0 HH12 ARG A 49 4.520 2.251 -18.833 1.00 0.00 H new ATOM 0 HH21 ARG A 49 7.597 2.603 -17.210 1.00 0.00 H new ATOM 0 HH22 ARG A 49 6.772 2.437 -18.763 1.00 0.00 H new ATOM 781 N GLY A 50 1.446 1.265 -13.026 1.00 0.00 N ATOM 782 CA GLY A 50 0.320 0.319 -13.266 1.00 0.00 C ATOM 783 C GLY A 50 0.491 -0.912 -12.374 1.00 0.00 C ATOM 784 O GLY A 50 0.053 -1.996 -12.705 1.00 0.00 O ATOM 0 H GLY A 50 2.203 0.899 -12.448 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -0.631 0.807 -13.053 1.00 0.00 H new ATOM 0 HA3 GLY A 50 0.298 0.022 -14.314 1.00 0.00 H new ATOM 788 N ARG A 51 1.122 -0.754 -11.242 1.00 0.00 N ATOM 789 CA ARG A 51 1.318 -1.917 -10.327 1.00 0.00 C ATOM 790 C ARG A 51 0.535 -1.701 -9.031 1.00 0.00 C ATOM 791 O ARG A 51 0.512 -0.617 -8.483 1.00 0.00 O ATOM 792 CB ARG A 51 2.821 -1.951 -10.047 1.00 0.00 C ATOM 793 CG ARG A 51 3.498 -2.934 -11.004 1.00 0.00 C ATOM 794 CD ARG A 51 4.985 -3.044 -10.656 1.00 0.00 C ATOM 795 NE ARG A 51 5.613 -3.683 -11.846 1.00 0.00 N ATOM 796 CZ ARG A 51 6.908 -3.827 -11.902 1.00 0.00 C ATOM 797 NH1 ARG A 51 7.468 -4.895 -11.405 1.00 0.00 N ATOM 798 NH2 ARG A 51 7.644 -2.902 -12.455 1.00 0.00 N ATOM 0 H ARG A 51 1.510 0.129 -10.911 1.00 0.00 H new ATOM 0 HA ARG A 51 0.964 -2.852 -10.762 1.00 0.00 H new ATOM 0 HB2 ARG A 51 3.247 -0.955 -10.171 1.00 0.00 H new ATOM 0 HB3 ARG A 51 3.002 -2.249 -9.014 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.024 -3.913 -10.932 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.379 -2.596 -12.033 1.00 0.00 H new ATOM 0 HD2 ARG A 51 5.418 -2.063 -10.460 1.00 0.00 H new ATOM 0 HD3 ARG A 51 5.137 -3.645 -9.759 1.00 0.00 H new ATOM 0 HE ARG A 51 5.030 -4.008 -12.617 1.00 0.00 H new ATOM 0 HH11 ARG A 51 6.893 -5.618 -10.972 1.00 0.00 H new ATOM 0 HH12 ARG A 51 8.481 -5.007 -11.449 1.00 0.00 H new ATOM 0 HH21 ARG A 51 7.206 -2.066 -12.843 1.00 0.00 H new ATOM 0 HH22 ARG A 51 8.657 -3.015 -12.499 1.00 0.00 H new ATOM 812 N GLN A 52 -0.116 -2.721 -8.539 1.00 0.00 N ATOM 813 CA GLN A 52 -0.903 -2.566 -7.288 1.00 0.00 C ATOM 814 C GLN A 52 -0.235 -3.320 -6.135 1.00 0.00 C ATOM 815 O GLN A 52 0.521 -4.249 -6.339 1.00 0.00 O ATOM 816 CB GLN A 52 -2.263 -3.184 -7.605 1.00 0.00 C ATOM 817 CG GLN A 52 -2.619 -2.938 -9.075 1.00 0.00 C ATOM 818 CD GLN A 52 -2.169 -4.135 -9.915 1.00 0.00 C ATOM 819 OE1 GLN A 52 -1.183 -4.773 -9.605 1.00 0.00 O ATOM 820 NE2 GLN A 52 -2.855 -4.467 -10.974 1.00 0.00 N ATOM 0 H GLN A 52 -0.135 -3.654 -8.952 1.00 0.00 H new ATOM 0 HA GLN A 52 -0.981 -1.524 -6.980 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.242 -4.255 -7.401 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -3.028 -2.752 -6.960 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -3.694 -2.790 -9.180 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -2.135 -2.028 -9.430 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -3.683 -3.931 -11.234 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -2.563 -5.263 -11.542 1.00 0.00 H new ATOM 829 N VAL A 53 -0.513 -2.920 -4.926 1.00 0.00 N ATOM 830 CA VAL A 53 0.092 -3.598 -3.750 1.00 0.00 C ATOM 831 C VAL A 53 -0.963 -3.778 -2.651 1.00 0.00 C ATOM 832 O VAL A 53 -1.959 -3.088 -2.624 1.00 0.00 O ATOM 833 CB VAL A 53 1.197 -2.642 -3.293 1.00 0.00 C ATOM 834 CG1 VAL A 53 1.384 -2.763 -1.783 1.00 0.00 C ATOM 835 CG2 VAL A 53 2.506 -3.001 -3.999 1.00 0.00 C ATOM 0 H VAL A 53 -1.139 -2.146 -4.702 1.00 0.00 H new ATOM 0 HA VAL A 53 0.477 -4.591 -3.981 1.00 0.00 H new ATOM 0 HB VAL A 53 0.917 -1.619 -3.543 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.171 -2.082 -1.458 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.452 -2.507 -1.279 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.663 -3.786 -1.532 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.293 -2.321 -3.674 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.785 -4.025 -3.749 1.00 0.00 H new ATOM 0 HG23 VAL A 53 2.374 -2.914 -5.077 1.00 0.00 H new ATOM 845 N CYS A 54 -0.758 -4.697 -1.747 1.00 0.00 N ATOM 846 CA CYS A 54 -1.753 -4.905 -0.661 1.00 0.00 C ATOM 847 C CYS A 54 -1.037 -5.042 0.683 1.00 0.00 C ATOM 848 O CYS A 54 -0.258 -5.951 0.887 1.00 0.00 O ATOM 849 CB CYS A 54 -2.455 -6.209 -1.022 1.00 0.00 C ATOM 850 SG CYS A 54 -4.220 -6.068 -0.649 1.00 0.00 S ATOM 0 H CYS A 54 0.055 -5.312 -1.715 1.00 0.00 H new ATOM 0 HA CYS A 54 -2.452 -4.073 -0.570 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -2.313 -6.430 -2.080 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -2.019 -7.036 -0.462 1.00 0.00 H new ATOM 0 HG CYS A 54 -4.819 -7.179 -0.959 1.00 0.00 H new ATOM 855 N ALA A 55 -1.285 -4.150 1.603 1.00 0.00 N ATOM 856 CA ALA A 55 -0.601 -4.248 2.922 1.00 0.00 C ATOM 857 C ALA A 55 -1.577 -3.934 4.058 1.00 0.00 C ATOM 858 O ALA A 55 -2.616 -3.338 3.852 1.00 0.00 O ATOM 859 CB ALA A 55 0.511 -3.204 2.863 1.00 0.00 C ATOM 0 H ALA A 55 -1.927 -3.364 1.499 1.00 0.00 H new ATOM 0 HA ALA A 55 -0.215 -5.249 3.113 1.00 0.00 H new ATOM 0 HB1 ALA A 55 1.066 -3.211 3.801 1.00 0.00 H new ATOM 0 HB2 ALA A 55 1.186 -3.438 2.040 1.00 0.00 H new ATOM 0 HB3 ALA A 55 0.076 -2.217 2.706 1.00 0.00 H new ATOM 865 N ASP A 56 -1.247 -4.331 5.255 1.00 0.00 N ATOM 866 CA ASP A 56 -2.149 -4.057 6.409 1.00 0.00 C ATOM 867 C ASP A 56 -2.037 -2.589 6.827 1.00 0.00 C ATOM 868 O ASP A 56 -0.960 -2.085 7.071 1.00 0.00 O ATOM 869 CB ASP A 56 -1.644 -4.973 7.525 1.00 0.00 C ATOM 870 CG ASP A 56 -2.742 -5.156 8.573 1.00 0.00 C ATOM 871 OD1 ASP A 56 -3.539 -4.246 8.732 1.00 0.00 O ATOM 872 OD2 ASP A 56 -2.767 -6.202 9.200 1.00 0.00 O ATOM 0 H ASP A 56 -0.390 -4.834 5.485 1.00 0.00 H new ATOM 0 HA ASP A 56 -3.197 -4.240 6.172 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -1.355 -5.940 7.113 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -0.754 -4.545 7.986 1.00 0.00 H new ATOM 877 N LYS A 57 -3.140 -1.898 6.907 1.00 0.00 N ATOM 878 CA LYS A 57 -3.090 -0.463 7.306 1.00 0.00 C ATOM 879 C LYS A 57 -2.401 -0.312 8.666 1.00 0.00 C ATOM 880 O LYS A 57 -1.917 0.747 9.012 1.00 0.00 O ATOM 881 CB LYS A 57 -4.552 -0.023 7.394 1.00 0.00 C ATOM 882 CG LYS A 57 -4.620 1.431 7.869 1.00 0.00 C ATOM 883 CD LYS A 57 -5.399 2.265 6.851 1.00 0.00 C ATOM 884 CE LYS A 57 -6.736 2.696 7.458 1.00 0.00 C ATOM 885 NZ LYS A 57 -7.755 1.832 6.800 1.00 0.00 N ATOM 0 H LYS A 57 -4.072 -2.264 6.714 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.525 0.141 6.596 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -5.032 -0.121 6.420 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -5.096 -0.668 8.084 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -5.104 1.484 8.844 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -3.614 1.832 7.990 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -4.819 3.142 6.564 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -5.570 1.685 5.944 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -6.741 2.559 8.539 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -6.933 3.751 7.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -8.699 2.069 7.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -7.732 1.989 5.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -7.546 0.833 7.002 1.00 0.00 H new ATOM 899 N SER A 58 -2.358 -1.361 9.440 1.00 0.00 N ATOM 900 CA SER A 58 -1.702 -1.273 10.777 1.00 0.00 C ATOM 901 C SER A 58 -0.187 -1.147 10.618 1.00 0.00 C ATOM 902 O SER A 58 0.493 -0.598 11.463 1.00 0.00 O ATOM 903 CB SER A 58 -2.063 -2.578 11.485 1.00 0.00 C ATOM 904 OG SER A 58 -2.095 -3.633 10.534 1.00 0.00 O ATOM 0 H SER A 58 -2.748 -2.274 9.206 1.00 0.00 H new ATOM 0 HA SER A 58 -2.033 -0.401 11.341 1.00 0.00 H new ATOM 0 HB2 SER A 58 -1.333 -2.797 12.264 1.00 0.00 H new ATOM 0 HB3 SER A 58 -3.033 -2.484 11.974 1.00 0.00 H new ATOM 0 HG SER A 58 -3.024 -3.900 10.372 1.00 0.00 H new ATOM 910 N LYS A 59 0.348 -1.646 9.541 1.00 0.00 N ATOM 911 CA LYS A 59 1.819 -1.550 9.324 1.00 0.00 C ATOM 912 C LYS A 59 2.276 -0.103 9.464 1.00 0.00 C ATOM 913 O LYS A 59 1.819 0.778 8.766 1.00 0.00 O ATOM 914 CB LYS A 59 2.035 -2.047 7.898 1.00 0.00 C ATOM 915 CG LYS A 59 2.466 -3.515 7.920 1.00 0.00 C ATOM 916 CD LYS A 59 1.543 -4.306 8.849 1.00 0.00 C ATOM 917 CE LYS A 59 2.237 -4.521 10.194 1.00 0.00 C ATOM 918 NZ LYS A 59 1.195 -4.228 11.216 1.00 0.00 N ATOM 0 H LYS A 59 -0.170 -2.117 8.799 1.00 0.00 H new ATOM 0 HA LYS A 59 2.387 -2.132 10.050 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.116 -1.937 7.322 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.796 -1.443 7.404 1.00 0.00 H new ATOM 0 HG2 LYS A 59 2.429 -3.931 6.913 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.498 -3.597 8.260 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.606 -3.768 8.993 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.293 -5.267 8.399 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.607 -5.542 10.289 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.096 -3.859 10.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 1.343 -4.835 12.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.259 -3.230 11.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 0.254 -4.414 10.815 1.00 0.00 H new ATOM 932 N ASP A 60 3.180 0.144 10.364 1.00 0.00 N ATOM 933 CA ASP A 60 3.679 1.530 10.561 1.00 0.00 C ATOM 934 C ASP A 60 4.034 2.165 9.214 1.00 0.00 C ATOM 935 O ASP A 60 3.545 3.223 8.869 1.00 0.00 O ATOM 936 CB ASP A 60 4.926 1.369 11.427 1.00 0.00 C ATOM 937 CG ASP A 60 4.600 0.491 12.637 1.00 0.00 C ATOM 938 OD1 ASP A 60 3.427 0.340 12.936 1.00 0.00 O ATOM 939 OD2 ASP A 60 5.530 -0.014 13.244 1.00 0.00 O ATOM 0 H ASP A 60 3.598 -0.557 10.975 1.00 0.00 H new ATOM 0 HA ASP A 60 2.936 2.179 11.025 1.00 0.00 H new ATOM 0 HB2 ASP A 60 5.730 0.919 10.845 1.00 0.00 H new ATOM 0 HB3 ASP A 60 5.280 2.345 11.758 1.00 0.00 H new ATOM 944 N TRP A 61 4.879 1.530 8.449 1.00 0.00 N ATOM 945 CA TRP A 61 5.259 2.103 7.126 1.00 0.00 C ATOM 946 C TRP A 61 4.012 2.324 6.271 1.00 0.00 C ATOM 947 O TRP A 61 3.891 3.311 5.569 1.00 0.00 O ATOM 948 CB TRP A 61 6.181 1.062 6.492 1.00 0.00 C ATOM 949 CG TRP A 61 5.388 -0.097 5.977 1.00 0.00 C ATOM 950 CD1 TRP A 61 5.013 -1.163 6.714 1.00 0.00 C ATOM 951 CD2 TRP A 61 4.882 -0.334 4.631 1.00 0.00 C ATOM 952 NE1 TRP A 61 4.316 -2.046 5.908 1.00 0.00 N ATOM 953 CE2 TRP A 61 4.209 -1.578 4.613 1.00 0.00 C ATOM 954 CE3 TRP A 61 4.943 0.399 3.437 1.00 0.00 C ATOM 955 CZ2 TRP A 61 3.621 -2.074 3.448 1.00 0.00 C ATOM 956 CZ3 TRP A 61 4.348 -0.097 2.265 1.00 0.00 C ATOM 957 CH2 TRP A 61 3.690 -1.333 2.271 1.00 0.00 C ATOM 0 H TRP A 61 5.322 0.641 8.682 1.00 0.00 H new ATOM 0 HA TRP A 61 5.751 3.071 7.218 1.00 0.00 H new ATOM 0 HB2 TRP A 61 6.745 1.515 5.677 1.00 0.00 H new ATOM 0 HB3 TRP A 61 6.907 0.715 7.227 1.00 0.00 H new ATOM 0 HD1 TRP A 61 5.223 -1.304 7.764 1.00 0.00 H new ATOM 0 HE1 TRP A 61 3.929 -2.933 6.231 1.00 0.00 H new ATOM 0 HE3 TRP A 61 5.451 1.352 3.418 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 3.115 -3.028 3.460 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 4.398 0.479 1.353 1.00 0.00 H new ATOM 0 HH2 TRP A 61 3.238 -1.710 1.366 1.00 0.00 H new ATOM 968 N VAL A 62 3.077 1.422 6.332 1.00 0.00 N ATOM 969 CA VAL A 62 1.838 1.584 5.535 1.00 0.00 C ATOM 970 C VAL A 62 1.050 2.794 6.046 1.00 0.00 C ATOM 971 O VAL A 62 0.661 3.658 5.288 1.00 0.00 O ATOM 972 CB VAL A 62 1.071 0.286 5.767 1.00 0.00 C ATOM 973 CG1 VAL A 62 -0.422 0.556 5.689 1.00 0.00 C ATOM 974 CG2 VAL A 62 1.451 -0.728 4.691 1.00 0.00 C ATOM 0 H VAL A 62 3.119 0.577 6.902 1.00 0.00 H new ATOM 0 HA VAL A 62 2.026 1.760 4.476 1.00 0.00 H new ATOM 0 HB VAL A 62 1.321 -0.109 6.752 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -0.969 -0.372 5.855 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -0.701 1.283 6.452 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -0.669 0.952 4.704 1.00 0.00 H new ATOM 0 HG21 VAL A 62 0.903 -1.656 4.856 1.00 0.00 H new ATOM 0 HG22 VAL A 62 1.199 -0.328 3.709 1.00 0.00 H new ATOM 0 HG23 VAL A 62 2.522 -0.925 4.739 1.00 0.00 H new ATOM 984 N LYS A 63 0.821 2.870 7.327 1.00 0.00 N ATOM 985 CA LYS A 63 0.073 4.027 7.873 1.00 0.00 C ATOM 986 C LYS A 63 0.602 5.315 7.248 1.00 0.00 C ATOM 987 O LYS A 63 -0.145 6.110 6.714 1.00 0.00 O ATOM 988 CB LYS A 63 0.355 3.986 9.373 1.00 0.00 C ATOM 989 CG LYS A 63 -0.839 4.557 10.127 1.00 0.00 C ATOM 990 CD LYS A 63 -0.615 6.046 10.397 1.00 0.00 C ATOM 991 CE LYS A 63 -0.257 6.250 11.872 1.00 0.00 C ATOM 992 NZ LYS A 63 0.749 7.348 11.874 1.00 0.00 N ATOM 0 H LYS A 63 1.121 2.180 8.016 1.00 0.00 H new ATOM 0 HA LYS A 63 -0.996 3.990 7.662 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.544 2.961 9.691 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.252 4.561 9.602 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.750 4.416 9.545 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.976 4.024 11.068 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.186 6.425 9.762 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.514 6.611 10.149 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -1.136 6.518 12.458 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.152 5.339 12.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 1.044 7.547 12.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 1.577 7.061 11.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 0.329 8.204 11.458 1.00 0.00 H new ATOM 1006 N LYS A 64 1.889 5.523 7.290 1.00 0.00 N ATOM 1007 CA LYS A 64 2.452 6.754 6.673 1.00 0.00 C ATOM 1008 C LYS A 64 2.010 6.823 5.213 1.00 0.00 C ATOM 1009 O LYS A 64 1.695 7.877 4.695 1.00 0.00 O ATOM 1010 CB LYS A 64 3.971 6.597 6.778 1.00 0.00 C ATOM 1011 CG LYS A 64 4.650 7.435 5.692 1.00 0.00 C ATOM 1012 CD LYS A 64 6.163 7.443 5.923 1.00 0.00 C ATOM 1013 CE LYS A 64 6.509 8.473 7.001 1.00 0.00 C ATOM 1014 NZ LYS A 64 7.784 7.990 7.599 1.00 0.00 N ATOM 0 H LYS A 64 2.570 4.898 7.722 1.00 0.00 H new ATOM 0 HA LYS A 64 2.117 7.669 7.162 1.00 0.00 H new ATOM 0 HB2 LYS A 64 4.312 6.915 7.763 1.00 0.00 H new ATOM 0 HB3 LYS A 64 4.247 5.548 6.668 1.00 0.00 H new ATOM 0 HG2 LYS A 64 4.424 7.025 4.708 1.00 0.00 H new ATOM 0 HG3 LYS A 64 4.264 8.454 5.710 1.00 0.00 H new ATOM 0 HD2 LYS A 64 6.500 6.453 6.229 1.00 0.00 H new ATOM 0 HD3 LYS A 64 6.682 7.683 4.995 1.00 0.00 H new ATOM 0 HE2 LYS A 64 6.626 9.469 6.573 1.00 0.00 H new ATOM 0 HE3 LYS A 64 5.721 8.539 7.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 8.086 8.645 8.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 7.640 7.043 8.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 8.517 7.944 6.863 1.00 0.00 H new ATOM 1028 N LEU A 65 1.974 5.701 4.547 1.00 0.00 N ATOM 1029 CA LEU A 65 1.539 5.696 3.123 1.00 0.00 C ATOM 1030 C LEU A 65 0.091 6.173 3.022 1.00 0.00 C ATOM 1031 O LEU A 65 -0.209 7.134 2.353 1.00 0.00 O ATOM 1032 CB LEU A 65 1.657 4.241 2.671 1.00 0.00 C ATOM 1033 CG LEU A 65 3.096 3.957 2.254 1.00 0.00 C ATOM 1034 CD1 LEU A 65 3.427 2.494 2.532 1.00 0.00 C ATOM 1035 CD2 LEU A 65 3.255 4.232 0.757 1.00 0.00 C ATOM 0 H LEU A 65 2.227 4.789 4.928 1.00 0.00 H new ATOM 0 HA LEU A 65 2.142 6.360 2.503 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.362 3.572 3.480 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.981 4.051 1.838 1.00 0.00 H new ATOM 0 HG LEU A 65 3.771 4.599 2.820 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.456 2.291 2.234 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.311 2.291 3.597 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.752 1.854 1.964 1.00 0.00 H new ATOM 0 HD21 LEU A 65 4.283 4.030 0.457 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.579 3.587 0.195 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.016 5.275 0.551 1.00 0.00 H new ATOM 1064 N GLN A 67 -1.445 7.857 4.861 1.00 0.00 N ATOM 1065 CA GLN A 67 -1.528 9.264 5.349 1.00 0.00 C ATOM 1066 C GLN A 67 -1.135 10.239 4.236 1.00 0.00 C ATOM 1067 O GLN A 67 -1.777 11.250 4.027 1.00 0.00 O ATOM 1068 CB GLN A 67 -0.529 9.342 6.504 1.00 0.00 C ATOM 1069 CG GLN A 67 -0.504 10.765 7.063 1.00 0.00 C ATOM 1070 CD GLN A 67 -0.073 10.729 8.531 1.00 0.00 C ATOM 1071 OE1 GLN A 67 -0.729 11.295 9.382 1.00 0.00 O ATOM 1072 NE2 GLN A 67 1.010 10.082 8.864 1.00 0.00 N ATOM 0 HA GLN A 67 -2.538 9.531 5.661 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -0.807 8.637 7.288 1.00 0.00 H new ATOM 0 HB3 GLN A 67 0.465 9.058 6.159 1.00 0.00 H new ATOM 0 HG2 GLN A 67 0.185 11.382 6.486 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -1.491 11.220 6.974 1.00 0.00 H new ATOM 0 HE21 GLN A 67 1.560 9.607 8.149 1.00 0.00 H new ATOM 0 HE22 GLN A 67 1.306 10.051 9.840 1.00 0.00 H new ATOM 1081 N GLN A 68 -0.082 9.947 3.523 1.00 0.00 N ATOM 1082 CA GLN A 68 0.354 10.860 2.426 1.00 0.00 C ATOM 1083 C GLN A 68 -0.408 10.544 1.137 1.00 0.00 C ATOM 1084 O GLN A 68 -0.638 11.405 0.310 1.00 0.00 O ATOM 1085 CB GLN A 68 1.843 10.568 2.246 1.00 0.00 C ATOM 1086 CG GLN A 68 2.653 11.376 3.262 1.00 0.00 C ATOM 1087 CD GLN A 68 4.045 10.761 3.407 1.00 0.00 C ATOM 1088 OE1 GLN A 68 4.263 9.626 3.033 1.00 0.00 O ATOM 1089 NE2 GLN A 68 5.004 11.467 3.940 1.00 0.00 N ATOM 0 H GLN A 68 0.496 9.116 3.652 1.00 0.00 H new ATOM 0 HA GLN A 68 0.163 11.907 2.659 1.00 0.00 H new ATOM 0 HB2 GLN A 68 2.033 9.503 2.379 1.00 0.00 H new ATOM 0 HB3 GLN A 68 2.154 10.823 1.233 1.00 0.00 H new ATOM 0 HG2 GLN A 68 2.734 12.413 2.937 1.00 0.00 H new ATOM 0 HG3 GLN A 68 2.144 11.383 4.226 1.00 0.00 H new ATOM 0 HE21 GLN A 68 4.822 12.420 4.254 1.00 0.00 H new ATOM 0 HE22 GLN A 68 5.936 11.066 4.042 1.00 0.00 H new ATOM 1098 N LEU A 69 -0.796 9.314 0.962 1.00 0.00 N ATOM 1099 CA LEU A 69 -1.538 8.925 -0.268 1.00 0.00 C ATOM 1100 C LEU A 69 -3.044 9.102 -0.054 1.00 0.00 C ATOM 1101 O LEU A 69 -3.536 8.980 1.050 1.00 0.00 O ATOM 1102 CB LEU A 69 -1.210 7.445 -0.486 1.00 0.00 C ATOM 1103 CG LEU A 69 0.262 7.163 -0.172 1.00 0.00 C ATOM 1104 CD1 LEU A 69 0.410 5.711 0.282 1.00 0.00 C ATOM 1105 CD2 LEU A 69 1.103 7.372 -1.427 1.00 0.00 C ATOM 0 H LEU A 69 -0.630 8.555 1.623 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.257 9.538 -1.124 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.847 6.829 0.149 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.426 7.168 -1.518 1.00 0.00 H new ATOM 0 HG LEU A 69 0.599 7.839 0.614 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.456 5.505 0.507 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.192 5.546 1.175 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.072 5.045 -0.512 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.150 7.171 -1.201 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.764 6.693 -2.210 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.997 8.402 -1.769 1.00 0.00 H new ATOM 1117 N PRO A 70 -3.724 9.382 -1.130 1.00 0.00 N ATOM 1118 CA PRO A 70 -5.189 9.578 -1.083 1.00 0.00 C ATOM 1119 C PRO A 70 -5.912 8.228 -1.160 1.00 0.00 C ATOM 1120 O PRO A 70 -5.712 7.460 -2.080 1.00 0.00 O ATOM 1121 CB PRO A 70 -5.468 10.415 -2.326 1.00 0.00 C ATOM 1122 CG PRO A 70 -4.343 10.118 -3.276 1.00 0.00 C ATOM 1123 CD PRO A 70 -3.193 9.545 -2.483 1.00 0.00 C ATOM 0 HA PRO A 70 -5.533 10.053 -0.164 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -6.431 10.155 -2.766 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -5.505 11.477 -2.083 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -4.667 9.411 -4.040 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -4.033 11.026 -3.793 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -2.862 8.592 -2.896 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -2.332 10.213 -2.493 1.00 0.00 H new ATOM 1131 N VAL A 71 -6.753 7.934 -0.205 1.00 0.00 N ATOM 1132 CA VAL A 71 -7.487 6.632 -0.232 1.00 0.00 C ATOM 1133 C VAL A 71 -8.383 6.553 -1.470 1.00 0.00 C ATOM 1134 O VAL A 71 -9.590 6.661 -1.380 1.00 0.00 O ATOM 1135 CB VAL A 71 -8.337 6.619 1.040 1.00 0.00 C ATOM 1136 CG1 VAL A 71 -9.007 7.981 1.221 1.00 0.00 C ATOM 1137 CG2 VAL A 71 -9.412 5.537 0.921 1.00 0.00 C ATOM 0 H VAL A 71 -6.964 8.536 0.591 1.00 0.00 H new ATOM 0 HA VAL A 71 -6.806 5.782 -0.274 1.00 0.00 H new ATOM 0 HB VAL A 71 -7.701 6.410 1.900 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -9.612 7.971 2.127 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -8.243 8.754 1.303 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -9.644 8.190 0.362 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -10.019 5.526 1.826 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -10.047 5.748 0.061 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -8.937 4.565 0.791 1.00 0.00 H new ATOM 1147 N THR A 72 -7.804 6.360 -2.623 1.00 0.00 N ATOM 1148 CA THR A 72 -8.625 6.266 -3.865 1.00 0.00 C ATOM 1149 C THR A 72 -9.904 5.470 -3.588 1.00 0.00 C ATOM 1150 O THR A 72 -9.954 4.656 -2.688 1.00 0.00 O ATOM 1151 CB THR A 72 -7.739 5.524 -4.867 1.00 0.00 C ATOM 1152 OG1 THR A 72 -6.372 5.748 -4.547 1.00 0.00 O ATOM 1153 CG2 THR A 72 -8.023 6.034 -6.281 1.00 0.00 C ATOM 0 H THR A 72 -6.798 6.263 -2.760 1.00 0.00 H new ATOM 0 HA THR A 72 -8.931 7.244 -4.237 1.00 0.00 H new ATOM 0 HB THR A 72 -7.954 4.457 -4.819 1.00 0.00 H new ATOM 0 HG1 THR A 72 -5.866 5.910 -5.370 1.00 0.00 H new ATOM 0 HG21 THR A 72 -7.390 5.504 -6.993 1.00 0.00 H new ATOM 0 HG22 THR A 72 -9.071 5.860 -6.527 1.00 0.00 H new ATOM 0 HG23 THR A 72 -7.811 7.102 -6.332 1.00 0.00 H new