USER MOD reduce.3.24.130724 H: found=0, std=0, add=430, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 384 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 Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 52:sc= 1.16 USER MOD Single : A 32 SER OG : rot 36:sc= 1.24 USER MOD Single : A 34 MET CE :methyl -161:sc= -0.0149 (180deg=-0.127) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN :FLIP amide:sc= -2.37! C(o=-5.9!,f=-2.4!) USER MOD Single : A 55 ASN : amide:sc= -4.15! C(o=-4.2!,f=-6.8!) USER MOD Single : A 58 ASN :FLIP amide:sc= -0.436 F(o=-1,f=-0.44) USER MOD Single : A 61 ASN : amide:sc= -0.378 X(o=-0.38,f=-0.18) USER MOD Single : A 62 MET CE :methyl -176:sc= -9.31! (180deg=-9.65!) USER MOD Single : A 63 SER OG : rot -48:sc= 0.201 USER MOD Single : A 64 ASN : amide:sc= -0.182 K(o=-0.18,f=-2.1!) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= -0.075 X(o=-0.075,f=-0.41) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.0179 USER MOD Single : A 82 SER OG : rot 81:sc= 0.9 USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.0675 USER MOD ----------------------------------------------------------------- ATOM 15 N VAL A 2 6.819 -5.151 -2.605 1.00 0.00 N ATOM 16 CA VAL A 2 6.257 -5.735 -3.810 1.00 0.00 C ATOM 17 C VAL A 2 6.234 -4.680 -4.919 1.00 0.00 C ATOM 18 O VAL A 2 5.823 -3.543 -4.690 1.00 0.00 O ATOM 19 CB VAL A 2 4.874 -6.320 -3.513 1.00 0.00 C ATOM 20 CG1 VAL A 2 4.341 -7.104 -4.714 1.00 0.00 C ATOM 21 CG2 VAL A 2 4.907 -7.193 -2.258 1.00 0.00 C ATOM 0 HA VAL A 2 6.876 -6.561 -4.159 1.00 0.00 H new ATOM 0 HB VAL A 2 4.192 -5.491 -3.326 1.00 0.00 H new ATOM 0 HG11 VAL A 2 3.357 -7.509 -4.477 1.00 0.00 H new ATOM 0 HG12 VAL A 2 4.262 -6.441 -5.575 1.00 0.00 H new ATOM 0 HG13 VAL A 2 5.023 -7.921 -4.947 1.00 0.00 H new ATOM 0 HG21 VAL A 2 3.912 -7.596 -2.069 1.00 0.00 H new ATOM 0 HG22 VAL A 2 5.610 -8.013 -2.404 1.00 0.00 H new ATOM 0 HG23 VAL A 2 5.223 -6.592 -1.405 1.00 0.00 H new ATOM 31 N THR A 3 6.680 -5.094 -6.095 1.00 0.00 N ATOM 32 CA THR A 3 6.716 -4.199 -7.239 1.00 0.00 C ATOM 33 C THR A 3 5.647 -4.596 -8.261 1.00 0.00 C ATOM 34 O THR A 3 5.852 -5.513 -9.054 1.00 0.00 O ATOM 35 CB THR A 3 8.136 -4.217 -7.809 1.00 0.00 C ATOM 36 OG1 THR A 3 8.914 -3.544 -6.823 1.00 0.00 O ATOM 37 CG2 THR A 3 8.278 -3.342 -9.056 1.00 0.00 C ATOM 0 H THR A 3 7.020 -6.038 -6.281 1.00 0.00 H new ATOM 0 HA THR A 3 6.479 -3.176 -6.948 1.00 0.00 H new ATOM 0 HB THR A 3 8.417 -5.242 -8.051 1.00 0.00 H new ATOM 0 HG1 THR A 3 9.850 -3.512 -7.111 1.00 0.00 H new ATOM 0 HG21 THR A 3 9.304 -3.391 -9.420 1.00 0.00 H new ATOM 0 HG22 THR A 3 7.601 -3.701 -9.831 1.00 0.00 H new ATOM 0 HG23 THR A 3 8.030 -2.310 -8.807 1.00 0.00 H new ATOM 201 N ILE A 14 -8.694 -0.109 -2.653 1.00 0.00 N ATOM 202 CA ILE A 14 -7.903 -0.407 -1.471 1.00 0.00 C ATOM 203 C ILE A 14 -8.119 0.693 -0.428 1.00 0.00 C ATOM 204 O ILE A 14 -8.803 1.679 -0.695 1.00 0.00 O ATOM 205 CB ILE A 14 -6.435 -0.618 -1.846 1.00 0.00 C ATOM 206 CG1 ILE A 14 -5.987 0.400 -2.898 1.00 0.00 C ATOM 207 CG2 ILE A 14 -6.187 -2.058 -2.301 1.00 0.00 C ATOM 208 CD1 ILE A 14 -4.549 0.856 -2.641 1.00 0.00 C ATOM 0 HA ILE A 14 -8.230 -1.344 -1.021 1.00 0.00 H new ATOM 0 HB ILE A 14 -5.827 -0.452 -0.956 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -6.060 -0.042 -3.892 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -6.654 1.262 -2.883 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -5.136 -2.181 -2.562 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -6.443 -2.744 -1.494 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -6.805 -2.276 -3.172 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -4.255 1.579 -3.402 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -4.485 1.319 -1.656 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.882 -0.005 -2.681 1.00 0.00 H new ATOM 219 N SER A 15 -7.522 0.485 0.736 1.00 0.00 N ATOM 220 CA SER A 15 -7.641 1.447 1.819 1.00 0.00 C ATOM 221 C SER A 15 -6.472 1.284 2.793 1.00 0.00 C ATOM 222 O SER A 15 -5.864 0.217 2.867 1.00 0.00 O ATOM 223 CB SER A 15 -8.972 1.285 2.557 1.00 0.00 C ATOM 224 OG SER A 15 -9.882 2.337 2.253 1.00 0.00 O ATOM 0 H SER A 15 -6.955 -0.335 0.953 1.00 0.00 H new ATOM 0 HA SER A 15 -7.614 2.449 1.391 1.00 0.00 H new ATOM 0 HB2 SER A 15 -9.421 0.329 2.289 1.00 0.00 H new ATOM 0 HB3 SER A 15 -8.790 1.262 3.632 1.00 0.00 H new ATOM 0 HG SER A 15 -10.720 2.196 2.742 1.00 0.00 H new ATOM 229 N ILE A 16 -6.192 2.359 3.515 1.00 0.00 N ATOM 230 CA ILE A 16 -5.106 2.350 4.481 1.00 0.00 C ATOM 231 C ILE A 16 -5.686 2.404 5.895 1.00 0.00 C ATOM 232 O ILE A 16 -6.892 2.567 6.068 1.00 0.00 O ATOM 233 CB ILE A 16 -4.112 3.474 4.180 1.00 0.00 C ATOM 234 CG1 ILE A 16 -4.785 4.844 4.281 1.00 0.00 C ATOM 235 CG2 ILE A 16 -3.441 3.264 2.821 1.00 0.00 C ATOM 236 CD1 ILE A 16 -4.154 5.685 5.392 1.00 0.00 C ATOM 0 H ILE A 16 -6.698 3.242 3.451 1.00 0.00 H new ATOM 0 HA ILE A 16 -4.537 1.424 4.405 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.326 3.445 4.935 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -4.696 5.368 3.329 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -5.850 4.716 4.477 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -2.740 4.077 2.632 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -2.905 2.315 2.823 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -4.200 3.250 2.039 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.651 6.654 5.442 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -4.266 5.170 6.346 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -3.095 5.831 5.181 1.00 0.00 H new ATOM 247 N VAL A 17 -4.800 2.265 6.870 1.00 0.00 N ATOM 248 CA VAL A 17 -5.209 2.296 8.263 1.00 0.00 C ATOM 249 C VAL A 17 -3.989 2.579 9.143 1.00 0.00 C ATOM 250 O VAL A 17 -2.867 2.657 8.647 1.00 0.00 O ATOM 251 CB VAL A 17 -5.921 0.992 8.629 1.00 0.00 C ATOM 252 CG1 VAL A 17 -4.933 -0.176 8.681 1.00 0.00 C ATOM 253 CG2 VAL A 17 -6.675 1.131 9.954 1.00 0.00 C ATOM 0 H VAL A 17 -3.800 2.131 6.722 1.00 0.00 H new ATOM 0 HA VAL A 17 -5.925 3.100 8.432 1.00 0.00 H new ATOM 0 HB VAL A 17 -6.652 0.779 7.849 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -5.465 -1.091 8.943 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -4.461 -0.297 7.706 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.169 0.027 9.431 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -7.172 0.190 10.190 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -5.971 1.379 10.749 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -7.419 1.923 9.868 1.00 0.00 H new ATOM 263 N GLY A 18 -4.251 2.723 10.434 1.00 0.00 N ATOM 264 CA GLY A 18 -3.189 2.996 11.387 1.00 0.00 C ATOM 265 C GLY A 18 -3.380 2.182 12.668 1.00 0.00 C ATOM 266 O GLY A 18 -4.132 1.209 12.684 1.00 0.00 O ATOM 0 H GLY A 18 -5.183 2.656 10.842 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -2.224 2.757 10.940 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -3.175 4.059 11.626 1.00 0.00 H new ATOM 366 N GLY A 27 3.349 2.797 11.707 1.00 0.00 N ATOM 367 CA GLY A 27 3.536 2.441 10.309 1.00 0.00 C ATOM 368 C GLY A 27 2.201 2.086 9.651 1.00 0.00 C ATOM 369 O GLY A 27 1.802 0.923 9.637 1.00 0.00 O ATOM 0 HA2 GLY A 27 3.998 3.272 9.777 1.00 0.00 H new ATOM 0 HA3 GLY A 27 4.219 1.595 10.234 1.00 0.00 H new ATOM 373 N ILE A 28 1.548 3.110 9.122 1.00 0.00 N ATOM 374 CA ILE A 28 0.267 2.921 8.463 1.00 0.00 C ATOM 375 C ILE A 28 0.346 1.700 7.544 1.00 0.00 C ATOM 376 O ILE A 28 1.349 1.496 6.863 1.00 0.00 O ATOM 377 CB ILE A 28 -0.162 4.203 7.747 1.00 0.00 C ATOM 378 CG1 ILE A 28 -0.288 5.366 8.733 1.00 0.00 C ATOM 379 CG2 ILE A 28 -1.450 3.983 6.952 1.00 0.00 C ATOM 380 CD1 ILE A 28 -1.246 5.016 9.874 1.00 0.00 C ATOM 0 H ILE A 28 1.882 4.074 9.136 1.00 0.00 H new ATOM 0 HA ILE A 28 -0.512 2.718 9.197 1.00 0.00 H new ATOM 0 HB ILE A 28 0.615 4.471 7.031 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.693 5.611 9.139 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.647 6.253 8.211 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -1.732 4.910 6.453 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.289 3.204 6.207 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -2.248 3.678 7.629 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.318 5.860 10.561 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.232 4.795 9.466 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -0.871 4.143 10.409 1.00 0.00 H new ATOM 391 N TYR A 29 -0.726 0.921 7.554 1.00 0.00 N ATOM 392 CA TYR A 29 -0.790 -0.274 6.731 1.00 0.00 C ATOM 393 C TYR A 29 -2.142 -0.379 6.023 1.00 0.00 C ATOM 394 O TYR A 29 -3.148 0.123 6.520 1.00 0.00 O ATOM 395 CB TYR A 29 -0.638 -1.457 7.689 1.00 0.00 C ATOM 396 CG TYR A 29 -1.569 -1.398 8.902 1.00 0.00 C ATOM 397 CD1 TYR A 29 -1.355 -0.462 9.893 1.00 0.00 C ATOM 398 CD2 TYR A 29 -2.623 -2.283 9.005 1.00 0.00 C ATOM 399 CE1 TYR A 29 -2.232 -0.408 11.034 1.00 0.00 C ATOM 400 CE2 TYR A 29 -3.500 -2.229 10.146 1.00 0.00 C ATOM 401 CZ TYR A 29 -3.261 -1.294 11.105 1.00 0.00 C ATOM 402 OH TYR A 29 -4.089 -1.243 12.182 1.00 0.00 O ATOM 0 H TYR A 29 -1.557 1.095 8.119 1.00 0.00 H new ATOM 0 HA TYR A 29 -0.014 -0.254 5.966 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -0.828 -2.381 7.143 1.00 0.00 H new ATOM 0 HB3 TYR A 29 0.394 -1.499 8.037 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -0.530 0.230 9.813 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -2.790 -3.016 8.230 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -2.076 0.320 11.816 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -4.329 -2.915 10.238 1.00 0.00 H new ATOM 0 HH TYR A 29 -4.414 -0.326 12.301 1.00 0.00 H new ATOM 411 N ILE A 30 -2.122 -1.035 4.871 1.00 0.00 N ATOM 412 CA ILE A 30 -3.333 -1.212 4.089 1.00 0.00 C ATOM 413 C ILE A 30 -4.445 -1.748 4.993 1.00 0.00 C ATOM 414 O ILE A 30 -4.277 -2.776 5.647 1.00 0.00 O ATOM 415 CB ILE A 30 -3.058 -2.090 2.867 1.00 0.00 C ATOM 416 CG1 ILE A 30 -4.040 -1.778 1.735 1.00 0.00 C ATOM 417 CG2 ILE A 30 -3.070 -3.573 3.243 1.00 0.00 C ATOM 418 CD1 ILE A 30 -3.661 -0.478 1.024 1.00 0.00 C ATOM 0 H ILE A 30 -1.285 -1.450 4.461 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.675 -0.255 3.695 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.058 -1.859 2.499 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -4.048 -2.600 1.019 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.050 -1.696 2.137 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -2.872 -4.175 2.356 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.301 -3.765 3.991 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -4.046 -3.837 3.650 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -4.374 -0.279 0.224 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -3.678 0.345 1.738 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -2.660 -0.572 0.602 1.00 0.00 H new ATOM 429 N GLY A 31 -5.556 -1.027 5.003 1.00 0.00 N ATOM 430 CA GLY A 31 -6.695 -1.417 5.816 1.00 0.00 C ATOM 431 C GLY A 31 -7.180 -2.819 5.444 1.00 0.00 C ATOM 432 O GLY A 31 -7.432 -3.645 6.319 1.00 0.00 O ATOM 0 H GLY A 31 -5.692 -0.174 4.460 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -6.419 -1.392 6.870 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -7.505 -0.700 5.681 1.00 0.00 H new ATOM 436 N SER A 32 -7.296 -3.044 4.143 1.00 0.00 N ATOM 437 CA SER A 32 -7.747 -4.333 3.644 1.00 0.00 C ATOM 438 C SER A 32 -7.719 -4.340 2.114 1.00 0.00 C ATOM 439 O SER A 32 -7.623 -3.287 1.486 1.00 0.00 O ATOM 440 CB SER A 32 -9.153 -4.658 4.151 1.00 0.00 C ATOM 441 OG SER A 32 -9.124 -5.388 5.374 1.00 0.00 O ATOM 0 H SER A 32 -7.086 -2.356 3.420 1.00 0.00 H new ATOM 0 HA SER A 32 -7.069 -5.101 4.017 1.00 0.00 H new ATOM 0 HB2 SER A 32 -9.710 -3.732 4.295 1.00 0.00 H new ATOM 0 HB3 SER A 32 -9.686 -5.236 3.396 1.00 0.00 H new ATOM 0 HG SER A 32 -8.374 -5.077 5.923 1.00 0.00 H new ATOM 446 N ILE A 33 -7.804 -5.540 1.558 1.00 0.00 N ATOM 447 CA ILE A 33 -7.789 -5.699 0.115 1.00 0.00 C ATOM 448 C ILE A 33 -9.105 -6.336 -0.338 1.00 0.00 C ATOM 449 O ILE A 33 -9.443 -7.438 0.089 1.00 0.00 O ATOM 450 CB ILE A 33 -6.547 -6.474 -0.328 1.00 0.00 C ATOM 451 CG1 ILE A 33 -5.288 -5.923 0.347 1.00 0.00 C ATOM 452 CG2 ILE A 33 -6.422 -6.488 -1.852 1.00 0.00 C ATOM 453 CD1 ILE A 33 -5.219 -6.352 1.814 1.00 0.00 C ATOM 0 H ILE A 33 -7.884 -6.411 2.082 1.00 0.00 H new ATOM 0 HA ILE A 33 -7.720 -4.727 -0.373 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.658 -7.510 -0.007 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -4.403 -6.278 -0.181 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -5.283 -4.835 0.282 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -5.530 -7.046 -2.139 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -7.302 -6.963 -2.285 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -6.344 -5.465 -2.220 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -4.315 -5.947 2.269 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -6.093 -5.975 2.345 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -5.199 -7.440 1.874 1.00 0.00 H new ATOM 464 N MET A 34 -9.812 -5.613 -1.195 1.00 0.00 N ATOM 465 CA MET A 34 -11.083 -6.094 -1.709 1.00 0.00 C ATOM 466 C MET A 34 -10.997 -7.575 -2.086 1.00 0.00 C ATOM 467 O MET A 34 -12.003 -8.282 -2.070 1.00 0.00 O ATOM 468 CB MET A 34 -11.478 -5.276 -2.940 1.00 0.00 C ATOM 469 CG MET A 34 -12.145 -3.960 -2.532 1.00 0.00 C ATOM 470 SD MET A 34 -13.762 -4.283 -1.848 1.00 0.00 S ATOM 471 CE MET A 34 -13.498 -3.751 -0.164 1.00 0.00 C ATOM 0 H MET A 34 -9.529 -4.698 -1.546 1.00 0.00 H new ATOM 0 HA MET A 34 -11.836 -5.980 -0.929 1.00 0.00 H new ATOM 0 HB2 MET A 34 -10.594 -5.068 -3.542 1.00 0.00 H new ATOM 0 HB3 MET A 34 -12.159 -5.855 -3.563 1.00 0.00 H new ATOM 0 HG2 MET A 34 -11.527 -3.442 -1.798 1.00 0.00 H new ATOM 0 HG3 MET A 34 -12.231 -3.303 -3.397 1.00 0.00 H new ATOM 0 HE1 MET A 34 -14.266 -4.182 0.478 1.00 0.00 H new ATOM 0 HE2 MET A 34 -12.516 -4.083 0.173 1.00 0.00 H new ATOM 0 HE3 MET A 34 -13.551 -2.663 -0.114 1.00 0.00 H new ATOM 595 N ILE A 45 -3.170 -10.498 -0.644 1.00 0.00 N ATOM 596 CA ILE A 45 -2.461 -9.506 0.145 1.00 0.00 C ATOM 597 C ILE A 45 -3.095 -9.419 1.535 1.00 0.00 C ATOM 598 O ILE A 45 -4.216 -9.882 1.740 1.00 0.00 O ATOM 599 CB ILE A 45 -2.413 -8.168 -0.595 1.00 0.00 C ATOM 600 CG1 ILE A 45 -1.623 -8.290 -1.899 1.00 0.00 C ATOM 601 CG2 ILE A 45 -1.862 -7.062 0.308 1.00 0.00 C ATOM 602 CD1 ILE A 45 -0.172 -8.692 -1.625 1.00 0.00 C ATOM 0 HA ILE A 45 -1.422 -9.802 0.287 1.00 0.00 H new ATOM 0 HB ILE A 45 -3.432 -7.889 -0.862 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -2.094 -9.031 -2.546 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -1.646 -7.340 -2.433 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -1.838 -6.121 -0.242 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -2.502 -6.954 1.184 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -0.852 -7.322 0.627 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.368 -8.772 -2.569 1.00 0.00 H new ATOM 0 HD12 ILE A 45 0.303 -7.937 -0.998 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -0.151 -9.654 -1.113 1.00 0.00 H new ATOM 613 N GLU A 46 -2.350 -8.820 2.454 1.00 0.00 N ATOM 614 CA GLU A 46 -2.826 -8.666 3.818 1.00 0.00 C ATOM 615 C GLU A 46 -2.890 -7.184 4.193 1.00 0.00 C ATOM 616 O GLU A 46 -2.298 -6.342 3.518 1.00 0.00 O ATOM 617 CB GLU A 46 -1.943 -9.441 4.797 1.00 0.00 C ATOM 618 CG GLU A 46 -2.283 -10.933 4.779 1.00 0.00 C ATOM 619 CD GLU A 46 -2.524 -11.459 6.195 1.00 0.00 C ATOM 620 OE1 GLU A 46 -3.443 -10.989 6.882 1.00 0.00 O ATOM 621 OE2 GLU A 46 -1.716 -12.389 6.576 1.00 0.00 O ATOM 0 H GLU A 46 -1.421 -8.436 2.280 1.00 0.00 H new ATOM 0 HA GLU A 46 -3.832 -9.081 3.880 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -0.894 -9.300 4.536 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -2.077 -9.046 5.804 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -3.171 -11.100 4.170 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -1.469 -11.489 4.315 1.00 0.00 H new ATOM 627 N PRO A 47 -3.632 -6.902 5.297 1.00 0.00 N ATOM 628 CA PRO A 47 -3.781 -5.536 5.770 1.00 0.00 C ATOM 629 C PRO A 47 -2.505 -5.053 6.462 1.00 0.00 C ATOM 630 O PRO A 47 -2.120 -3.894 6.324 1.00 0.00 O ATOM 631 CB PRO A 47 -4.984 -5.570 6.698 1.00 0.00 C ATOM 632 CG PRO A 47 -5.179 -7.030 7.074 1.00 0.00 C ATOM 633 CD PRO A 47 -4.347 -7.872 6.121 1.00 0.00 C ATOM 0 HA PRO A 47 -3.940 -4.825 4.959 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -4.812 -4.958 7.584 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -5.870 -5.172 6.203 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -4.870 -7.203 8.105 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -6.232 -7.304 7.006 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -3.656 -8.517 6.663 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -4.977 -8.520 5.512 1.00 0.00 H new ATOM 638 N GLY A 48 -1.883 -5.968 7.193 1.00 0.00 N ATOM 639 CA GLY A 48 -0.659 -5.650 7.907 1.00 0.00 C ATOM 640 C GLY A 48 0.563 -5.811 6.999 1.00 0.00 C ATOM 641 O GLY A 48 1.639 -6.187 7.462 1.00 0.00 O ATOM 0 H GLY A 48 -2.205 -6.929 7.305 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.707 -4.627 8.280 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.560 -6.302 8.775 1.00 0.00 H new ATOM 645 N ASP A 49 0.355 -5.519 5.724 1.00 0.00 N ATOM 646 CA ASP A 49 1.425 -5.626 4.748 1.00 0.00 C ATOM 647 C ASP A 49 2.378 -4.440 4.909 1.00 0.00 C ATOM 648 O ASP A 49 3.568 -4.551 4.619 1.00 0.00 O ATOM 649 CB ASP A 49 0.874 -5.600 3.321 1.00 0.00 C ATOM 650 CG ASP A 49 1.577 -6.539 2.338 1.00 0.00 C ATOM 651 OD1 ASP A 49 2.157 -6.095 1.336 1.00 0.00 O ATOM 652 OD2 ASP A 49 1.511 -7.791 2.639 1.00 0.00 O ATOM 0 H ASP A 49 -0.539 -5.208 5.344 1.00 0.00 H new ATOM 0 HA ASP A 49 1.942 -6.570 4.918 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.185 -5.857 3.352 1.00 0.00 H new ATOM 0 HB3 ASP A 49 0.943 -4.581 2.940 1.00 0.00 H new ATOM 657 N MET A 50 1.819 -3.332 5.373 1.00 0.00 N ATOM 658 CA MET A 50 2.604 -2.127 5.576 1.00 0.00 C ATOM 659 C MET A 50 2.748 -1.340 4.273 1.00 0.00 C ATOM 660 O MET A 50 3.840 -0.883 3.936 1.00 0.00 O ATOM 661 CB MET A 50 3.990 -2.502 6.102 1.00 0.00 C ATOM 662 CG MET A 50 4.611 -1.346 6.890 1.00 0.00 C ATOM 663 SD MET A 50 3.806 -1.186 8.475 1.00 0.00 S ATOM 664 CE MET A 50 5.235 -1.062 9.537 1.00 0.00 C ATOM 0 H MET A 50 0.832 -3.244 5.614 1.00 0.00 H new ATOM 0 HA MET A 50 2.088 -1.499 6.302 1.00 0.00 H new ATOM 0 HB2 MET A 50 3.914 -3.382 6.740 1.00 0.00 H new ATOM 0 HB3 MET A 50 4.639 -2.768 5.268 1.00 0.00 H new ATOM 0 HG2 MET A 50 5.677 -1.522 7.031 1.00 0.00 H new ATOM 0 HG3 MET A 50 4.513 -0.417 6.328 1.00 0.00 H new ATOM 0 HE1 MET A 50 4.911 -0.956 10.572 1.00 0.00 H new ATOM 0 HE2 MET A 50 5.842 -1.962 9.437 1.00 0.00 H new ATOM 0 HE3 MET A 50 5.826 -0.192 9.251 1.00 0.00 H new ATOM 672 N LEU A 51 1.632 -1.204 3.572 1.00 0.00 N ATOM 673 CA LEU A 51 1.620 -0.481 2.312 1.00 0.00 C ATOM 674 C LEU A 51 1.410 1.009 2.587 1.00 0.00 C ATOM 675 O LEU A 51 0.278 1.490 2.587 1.00 0.00 O ATOM 676 CB LEU A 51 0.586 -1.082 1.359 1.00 0.00 C ATOM 677 CG LEU A 51 0.532 -0.472 -0.044 1.00 0.00 C ATOM 678 CD1 LEU A 51 -0.120 0.911 -0.015 1.00 0.00 C ATOM 679 CD2 LEU A 51 1.924 -0.436 -0.679 1.00 0.00 C ATOM 0 H LEU A 51 0.728 -1.583 3.854 1.00 0.00 H new ATOM 0 HA LEU A 51 2.580 -0.580 1.806 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.787 -2.149 1.262 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.399 -0.983 1.815 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.092 -1.109 -0.671 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.146 1.322 -1.024 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.137 0.826 0.368 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.457 1.572 0.631 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.858 0.002 -1.675 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.590 0.166 -0.061 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.316 -1.450 -0.754 1.00 0.00 H new ATOM 690 N LEU A 52 2.518 1.698 2.816 1.00 0.00 N ATOM 691 CA LEU A 52 2.469 3.124 3.092 1.00 0.00 C ATOM 692 C LEU A 52 3.560 3.832 2.286 1.00 0.00 C ATOM 693 O LEU A 52 3.812 5.020 2.485 1.00 0.00 O ATOM 694 CB LEU A 52 2.553 3.382 4.597 1.00 0.00 C ATOM 695 CG LEU A 52 3.953 3.335 5.210 1.00 0.00 C ATOM 696 CD1 LEU A 52 4.754 2.153 4.659 1.00 0.00 C ATOM 697 CD2 LEU A 52 4.684 4.665 5.010 1.00 0.00 C ATOM 0 H LEU A 52 3.455 1.295 2.816 1.00 0.00 H new ATOM 0 HA LEU A 52 1.514 3.541 2.773 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.121 4.362 4.802 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.930 2.647 5.107 1.00 0.00 H new ATOM 0 HG LEU A 52 3.850 3.182 6.284 1.00 0.00 H new ATOM 0 HD11 LEU A 52 5.746 2.143 5.111 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.238 1.222 4.895 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.850 2.251 3.578 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.677 4.605 5.455 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.776 4.873 3.944 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.120 5.466 5.488 1.00 0.00 H new ATOM 708 N GLN A 53 4.177 3.074 1.391 1.00 0.00 N ATOM 709 CA GLN A 53 5.235 3.615 0.554 1.00 0.00 C ATOM 710 C GLN A 53 5.072 3.129 -0.887 1.00 0.00 C ATOM 711 O GLN A 53 4.527 2.052 -1.125 1.00 0.00 O ATOM 712 CB GLN A 53 6.613 3.245 1.105 1.00 0.00 C ATOM 713 CG GLN A 53 6.648 1.785 1.561 1.00 0.00 C ATOM 714 CD GLN A 53 7.647 1.591 2.703 1.00 0.00 C ATOM 715 OE1 GLN A 53 8.195 0.379 2.743 1.00 0.00 O flip ATOM 716 NE2 GLN A 53 7.903 2.481 3.496 1.00 0.00 N flip ATOM 0 H GLN A 53 3.965 2.090 1.227 1.00 0.00 H new ATOM 0 HA GLN A 53 5.157 4.702 0.561 1.00 0.00 H new ATOM 0 HB2 GLN A 53 7.371 3.408 0.339 1.00 0.00 H new ATOM 0 HB3 GLN A 53 6.861 3.897 1.942 1.00 0.00 H new ATOM 0 HG2 GLN A 53 5.654 1.478 1.887 1.00 0.00 H new ATOM 0 HG3 GLN A 53 6.920 1.145 0.722 1.00 0.00 H new ATOM 0 HE21 GLN A 53 7.446 3.389 3.409 1.00 0.00 H new ATOM 0 HE22 GLN A 53 8.574 2.318 4.247 1.00 0.00 H new ATOM 723 N VAL A 54 5.556 3.945 -1.812 1.00 0.00 N ATOM 724 CA VAL A 54 5.471 3.610 -3.223 1.00 0.00 C ATOM 725 C VAL A 54 6.763 4.037 -3.923 1.00 0.00 C ATOM 726 O VAL A 54 7.456 4.941 -3.457 1.00 0.00 O ATOM 727 CB VAL A 54 4.221 4.246 -3.837 1.00 0.00 C ATOM 728 CG1 VAL A 54 4.299 4.242 -5.365 1.00 0.00 C ATOM 729 CG2 VAL A 54 2.953 3.542 -3.350 1.00 0.00 C ATOM 0 H VAL A 54 6.008 4.837 -1.612 1.00 0.00 H new ATOM 0 HA VAL A 54 5.370 2.533 -3.354 1.00 0.00 H new ATOM 0 HB VAL A 54 4.175 5.284 -3.507 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.399 4.699 -5.776 1.00 0.00 H new ATOM 0 HG12 VAL A 54 5.173 4.808 -5.686 1.00 0.00 H new ATOM 0 HG13 VAL A 54 4.380 3.216 -5.722 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.079 4.013 -3.801 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.987 2.491 -3.637 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.888 3.620 -2.265 1.00 0.00 H new ATOM 739 N ASN A 55 7.049 3.367 -5.029 1.00 0.00 N ATOM 740 CA ASN A 55 8.245 3.665 -5.797 1.00 0.00 C ATOM 741 C ASN A 55 9.405 3.941 -4.838 1.00 0.00 C ATOM 742 O ASN A 55 9.524 3.295 -3.799 1.00 0.00 O ATOM 743 CB ASN A 55 8.046 4.906 -6.669 1.00 0.00 C ATOM 744 CG ASN A 55 8.916 4.839 -7.925 1.00 0.00 C ATOM 745 OD1 ASN A 55 10.056 5.271 -7.946 1.00 0.00 O ATOM 746 ND2 ASN A 55 8.315 4.276 -8.970 1.00 0.00 N ATOM 0 H ASN A 55 6.472 2.618 -5.412 1.00 0.00 H new ATOM 0 HA ASN A 55 8.458 2.808 -6.435 1.00 0.00 H new ATOM 0 HB2 ASN A 55 6.997 4.991 -6.953 1.00 0.00 H new ATOM 0 HB3 ASN A 55 8.295 5.800 -6.097 1.00 0.00 H new ATOM 0 HD21 ASN A 55 8.812 4.186 -9.856 1.00 0.00 H new ATOM 0 HD22 ASN A 55 7.358 3.935 -8.885 1.00 0.00 H new ATOM 752 N ASP A 56 10.232 4.903 -5.223 1.00 0.00 N ATOM 753 CA ASP A 56 11.379 5.273 -4.410 1.00 0.00 C ATOM 754 C ASP A 56 10.919 6.190 -3.275 1.00 0.00 C ATOM 755 O ASP A 56 11.741 6.731 -2.538 1.00 0.00 O ATOM 756 CB ASP A 56 12.419 6.030 -5.238 1.00 0.00 C ATOM 757 CG ASP A 56 12.039 7.470 -5.593 1.00 0.00 C ATOM 758 OD1 ASP A 56 10.901 7.749 -5.996 1.00 0.00 O ATOM 759 OD2 ASP A 56 12.983 8.336 -5.441 1.00 0.00 O ATOM 0 H ASP A 56 10.131 5.437 -6.086 1.00 0.00 H new ATOM 0 HA ASP A 56 11.825 4.358 -4.019 1.00 0.00 H new ATOM 0 HB2 ASP A 56 13.360 6.043 -4.688 1.00 0.00 H new ATOM 0 HB3 ASP A 56 12.598 5.479 -6.161 1.00 0.00 H new ATOM 764 N VAL A 57 9.606 6.336 -3.170 1.00 0.00 N ATOM 765 CA VAL A 57 9.028 7.178 -2.137 1.00 0.00 C ATOM 766 C VAL A 57 8.816 6.350 -0.869 1.00 0.00 C ATOM 767 O VAL A 57 8.702 5.126 -0.934 1.00 0.00 O ATOM 768 CB VAL A 57 7.740 7.826 -2.650 1.00 0.00 C ATOM 769 CG1 VAL A 57 6.772 8.110 -1.499 1.00 0.00 C ATOM 770 CG2 VAL A 57 8.043 9.102 -3.439 1.00 0.00 C ATOM 0 H VAL A 57 8.927 5.885 -3.783 1.00 0.00 H new ATOM 0 HA VAL A 57 9.707 7.992 -1.884 1.00 0.00 H new ATOM 0 HB VAL A 57 7.258 7.121 -3.327 1.00 0.00 H new ATOM 0 HG11 VAL A 57 5.865 8.570 -1.891 1.00 0.00 H new ATOM 0 HG12 VAL A 57 6.517 7.176 -0.999 1.00 0.00 H new ATOM 0 HG13 VAL A 57 7.243 8.787 -0.786 1.00 0.00 H new ATOM 0 HG21 VAL A 57 7.110 9.542 -3.792 1.00 0.00 H new ATOM 0 HG22 VAL A 57 8.559 9.814 -2.795 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.676 8.860 -4.293 1.00 0.00 H new ATOM 780 N ASN A 58 8.769 7.049 0.255 1.00 0.00 N ATOM 781 CA ASN A 58 8.574 6.393 1.538 1.00 0.00 C ATOM 782 C ASN A 58 7.901 7.368 2.506 1.00 0.00 C ATOM 783 O ASN A 58 8.579 8.105 3.221 1.00 0.00 O ATOM 784 CB ASN A 58 9.910 5.966 2.147 1.00 0.00 C ATOM 785 CG ASN A 58 10.153 4.469 1.943 1.00 0.00 C ATOM 786 OD1 ASN A 58 10.889 3.906 2.895 1.00 0.00 O flip ATOM 787 ND2 ASN A 58 9.701 3.867 0.982 1.00 0.00 N flip ATOM 0 H ASN A 58 8.863 8.063 0.305 1.00 0.00 H new ATOM 0 HA ASN A 58 7.955 5.511 1.376 1.00 0.00 H new ATOM 0 HB2 ASN A 58 10.720 6.535 1.691 1.00 0.00 H new ATOM 0 HB3 ASN A 58 9.919 6.198 3.212 1.00 0.00 H new ATOM 0 HD21 ASN A 58 9.143 4.362 0.287 1.00 0.00 H new ATOM 0 HD22 ASN A 58 9.882 2.869 0.874 1.00 0.00 H new ATOM 793 N PHE A 59 6.576 7.339 2.500 1.00 0.00 N ATOM 794 CA PHE A 59 5.805 8.211 3.370 1.00 0.00 C ATOM 795 C PHE A 59 5.825 7.703 4.813 1.00 0.00 C ATOM 796 O PHE A 59 4.774 7.543 5.433 1.00 0.00 O ATOM 797 CB PHE A 59 4.365 8.195 2.856 1.00 0.00 C ATOM 798 CG PHE A 59 4.206 8.727 1.430 1.00 0.00 C ATOM 799 CD1 PHE A 59 4.856 9.861 1.051 1.00 0.00 C ATOM 800 CD2 PHE A 59 3.416 8.068 0.541 1.00 0.00 C ATOM 801 CE1 PHE A 59 4.709 10.356 -0.270 1.00 0.00 C ATOM 802 CE2 PHE A 59 3.269 8.563 -0.782 1.00 0.00 C ATOM 803 CZ PHE A 59 3.919 9.696 -1.160 1.00 0.00 C ATOM 0 H PHE A 59 6.017 6.726 1.907 1.00 0.00 H new ATOM 0 HA PHE A 59 6.229 9.215 3.361 1.00 0.00 H new ATOM 0 HB2 PHE A 59 3.988 7.173 2.896 1.00 0.00 H new ATOM 0 HB3 PHE A 59 3.745 8.790 3.526 1.00 0.00 H new ATOM 0 HD1 PHE A 59 5.484 10.384 1.757 1.00 0.00 H new ATOM 0 HD2 PHE A 59 2.900 7.168 0.841 1.00 0.00 H new ATOM 0 HE1 PHE A 59 5.224 11.257 -0.570 1.00 0.00 H new ATOM 0 HE2 PHE A 59 2.641 8.040 -1.488 1.00 0.00 H new ATOM 0 HZ PHE A 59 3.808 10.072 -2.166 1.00 0.00 H new ATOM 812 N GLU A 60 7.031 7.462 5.305 1.00 0.00 N ATOM 813 CA GLU A 60 7.202 6.975 6.664 1.00 0.00 C ATOM 814 C GLU A 60 6.794 8.054 7.669 1.00 0.00 C ATOM 815 O GLU A 60 5.872 7.856 8.458 1.00 0.00 O ATOM 816 CB GLU A 60 8.641 6.516 6.905 1.00 0.00 C ATOM 817 CG GLU A 60 8.969 5.277 6.069 1.00 0.00 C ATOM 818 CD GLU A 60 9.026 4.024 6.945 1.00 0.00 C ATOM 819 OE1 GLU A 60 7.980 3.436 7.256 1.00 0.00 O ATOM 820 OE2 GLU A 60 10.212 3.665 7.305 1.00 0.00 O ATOM 0 H GLU A 60 7.900 7.595 4.787 1.00 0.00 H new ATOM 0 HA GLU A 60 6.552 6.111 6.805 1.00 0.00 H new ATOM 0 HB2 GLU A 60 9.330 7.322 6.653 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.783 6.294 7.963 1.00 0.00 H new ATOM 0 HG2 GLU A 60 8.215 5.148 5.292 1.00 0.00 H new ATOM 0 HG3 GLU A 60 9.925 5.417 5.565 1.00 0.00 H new ATOM 826 N ASN A 61 7.503 9.172 7.609 1.00 0.00 N ATOM 827 CA ASN A 61 7.227 10.282 8.504 1.00 0.00 C ATOM 828 C ASN A 61 5.780 10.741 8.310 1.00 0.00 C ATOM 829 O ASN A 61 5.223 11.427 9.165 1.00 0.00 O ATOM 830 CB ASN A 61 8.143 11.472 8.207 1.00 0.00 C ATOM 831 CG ASN A 61 8.057 11.875 6.733 1.00 0.00 C ATOM 832 OD1 ASN A 61 7.201 12.640 6.321 1.00 0.00 O ATOM 833 ND2 ASN A 61 8.990 11.318 5.965 1.00 0.00 N ATOM 0 H ASN A 61 8.268 9.332 6.954 1.00 0.00 H new ATOM 0 HA ASN A 61 7.398 9.941 9.525 1.00 0.00 H new ATOM 0 HB2 ASN A 61 7.863 12.317 8.836 1.00 0.00 H new ATOM 0 HB3 ASN A 61 9.172 11.215 8.458 1.00 0.00 H new ATOM 0 HD21 ASN A 61 9.018 11.523 4.966 1.00 0.00 H new ATOM 0 HD22 ASN A 61 9.677 10.686 6.375 1.00 0.00 H new ATOM 839 N MET A 62 5.213 10.343 7.181 1.00 0.00 N ATOM 840 CA MET A 62 3.842 10.705 6.863 1.00 0.00 C ATOM 841 C MET A 62 2.861 10.021 7.817 1.00 0.00 C ATOM 842 O MET A 62 2.307 10.662 8.709 1.00 0.00 O ATOM 843 CB MET A 62 3.526 10.295 5.424 1.00 0.00 C ATOM 844 CG MET A 62 2.842 11.434 4.667 1.00 0.00 C ATOM 845 SD MET A 62 3.637 11.682 3.087 1.00 0.00 S ATOM 846 CE MET A 62 2.415 10.953 2.008 1.00 0.00 C ATOM 0 H MET A 62 5.678 9.773 6.475 1.00 0.00 H new ATOM 0 HA MET A 62 3.735 11.784 6.973 1.00 0.00 H new ATOM 0 HB2 MET A 62 4.446 10.014 4.912 1.00 0.00 H new ATOM 0 HB3 MET A 62 2.881 9.416 5.426 1.00 0.00 H new ATOM 0 HG2 MET A 62 1.787 11.202 4.520 1.00 0.00 H new ATOM 0 HG3 MET A 62 2.888 12.351 5.254 1.00 0.00 H new ATOM 0 HE1 MET A 62 2.785 10.959 0.983 1.00 0.00 H new ATOM 0 HE2 MET A 62 2.222 9.926 2.318 1.00 0.00 H new ATOM 0 HE3 MET A 62 1.491 11.529 2.063 1.00 0.00 H new ATOM 854 N SER A 63 2.674 8.728 7.596 1.00 0.00 N ATOM 855 CA SER A 63 1.769 7.950 8.425 1.00 0.00 C ATOM 856 C SER A 63 0.671 8.853 8.991 1.00 0.00 C ATOM 857 O SER A 63 0.453 8.887 10.201 1.00 0.00 O ATOM 858 CB SER A 63 2.522 7.254 9.560 1.00 0.00 C ATOM 859 OG SER A 63 1.664 6.934 10.652 1.00 0.00 O ATOM 0 H SER A 63 3.134 8.200 6.855 1.00 0.00 H new ATOM 0 HA SER A 63 1.312 7.180 7.803 1.00 0.00 H new ATOM 0 HB2 SER A 63 2.984 6.342 9.183 1.00 0.00 H new ATOM 0 HB3 SER A 63 3.328 7.899 9.909 1.00 0.00 H new ATOM 0 HG SER A 63 1.125 7.718 10.885 1.00 0.00 H new ATOM 864 N ASN A 64 0.009 9.561 8.089 1.00 0.00 N ATOM 865 CA ASN A 64 -1.061 10.462 8.482 1.00 0.00 C ATOM 866 C ASN A 64 -2.394 9.713 8.439 1.00 0.00 C ATOM 867 O ASN A 64 -3.448 10.323 8.261 1.00 0.00 O ATOM 868 CB ASN A 64 -1.157 11.654 7.528 1.00 0.00 C ATOM 869 CG ASN A 64 -1.550 12.928 8.280 1.00 0.00 C ATOM 870 OD1 ASN A 64 -1.795 12.924 9.475 1.00 0.00 O ATOM 871 ND2 ASN A 64 -1.598 14.015 7.514 1.00 0.00 N ATOM 0 H ASN A 64 0.193 9.529 7.086 1.00 0.00 H new ATOM 0 HA ASN A 64 -0.845 10.823 9.488 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -0.200 11.803 7.029 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -1.892 11.444 6.751 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -1.852 14.915 7.921 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -1.381 13.948 6.520 1.00 0.00 H new ATOM 877 N ASP A 65 -2.306 8.402 8.606 1.00 0.00 N ATOM 878 CA ASP A 65 -3.492 7.563 8.587 1.00 0.00 C ATOM 879 C ASP A 65 -4.414 8.015 7.453 1.00 0.00 C ATOM 880 O ASP A 65 -5.630 7.846 7.532 1.00 0.00 O ATOM 881 CB ASP A 65 -4.269 7.678 9.901 1.00 0.00 C ATOM 882 CG ASP A 65 -5.439 6.704 10.048 1.00 0.00 C ATOM 883 OD1 ASP A 65 -5.812 6.005 9.095 1.00 0.00 O ATOM 884 OD2 ASP A 65 -5.983 6.679 11.218 1.00 0.00 O ATOM 0 H ASP A 65 -1.431 7.900 8.755 1.00 0.00 H new ATOM 0 HA ASP A 65 -3.172 6.531 8.445 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -3.578 7.520 10.729 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -4.649 8.695 9.993 1.00 0.00 H new ATOM 889 N ASP A 66 -3.800 8.580 6.424 1.00 0.00 N ATOM 890 CA ASP A 66 -4.550 9.057 5.274 1.00 0.00 C ATOM 891 C ASP A 66 -3.581 9.365 4.131 1.00 0.00 C ATOM 892 O ASP A 66 -3.833 10.256 3.321 1.00 0.00 O ATOM 893 CB ASP A 66 -5.310 10.342 5.608 1.00 0.00 C ATOM 894 CG ASP A 66 -6.339 10.211 6.734 1.00 0.00 C ATOM 895 OD1 ASP A 66 -7.349 9.506 6.597 1.00 0.00 O ATOM 896 OD2 ASP A 66 -6.065 10.881 7.802 1.00 0.00 O ATOM 0 H ASP A 66 -2.791 8.718 6.362 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.260 8.281 4.988 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.589 11.112 5.883 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -5.820 10.689 4.709 1.00 0.00 H new ATOM 901 N ALA A 67 -2.492 8.609 4.101 1.00 0.00 N ATOM 902 CA ALA A 67 -1.485 8.790 3.069 1.00 0.00 C ATOM 903 C ALA A 67 -2.115 8.541 1.698 1.00 0.00 C ATOM 904 O ALA A 67 -1.536 8.893 0.671 1.00 0.00 O ATOM 905 CB ALA A 67 -0.301 7.861 3.345 1.00 0.00 C ATOM 0 H ALA A 67 -2.286 7.871 4.774 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.107 9.812 3.076 1.00 0.00 H new ATOM 0 HB1 ALA A 67 0.455 7.996 2.572 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.129 8.099 4.318 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -0.642 6.826 3.342 1.00 0.00 H new ATOM 911 N VAL A 68 -3.292 7.934 1.724 1.00 0.00 N ATOM 912 CA VAL A 68 -4.007 7.634 0.495 1.00 0.00 C ATOM 913 C VAL A 68 -4.308 8.937 -0.247 1.00 0.00 C ATOM 914 O VAL A 68 -4.229 8.991 -1.473 1.00 0.00 O ATOM 915 CB VAL A 68 -5.265 6.819 0.807 1.00 0.00 C ATOM 916 CG1 VAL A 68 -6.333 7.028 -0.268 1.00 0.00 C ATOM 917 CG2 VAL A 68 -4.931 5.335 0.968 1.00 0.00 C ATOM 0 H VAL A 68 -3.769 7.642 2.577 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.393 7.020 -0.164 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.669 7.175 1.755 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.216 6.438 -0.023 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.602 8.083 -0.313 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.942 6.712 -1.235 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -5.842 4.779 1.189 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.491 4.959 0.044 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -4.221 5.208 1.786 1.00 0.00 H new ATOM 927 N ARG A 69 -4.647 9.958 0.528 1.00 0.00 N ATOM 928 CA ARG A 69 -4.960 11.257 -0.041 1.00 0.00 C ATOM 929 C ARG A 69 -3.910 11.647 -1.084 1.00 0.00 C ATOM 930 O ARG A 69 -4.179 12.463 -1.965 1.00 0.00 O ATOM 931 CB ARG A 69 -5.013 12.335 1.045 1.00 0.00 C ATOM 932 CG ARG A 69 -5.248 13.718 0.434 1.00 0.00 C ATOM 933 CD ARG A 69 -6.392 14.444 1.143 1.00 0.00 C ATOM 934 NE ARG A 69 -7.620 14.380 0.320 1.00 0.00 N ATOM 935 CZ ARG A 69 -7.859 15.172 -0.747 1.00 0.00 C ATOM 936 NH1 ARG A 69 -6.953 16.099 -1.129 1.00 0.00 N ATOM 937 NH2 ARG A 69 -8.990 15.029 -1.411 1.00 0.00 N ATOM 0 H ARG A 69 -4.711 9.911 1.545 1.00 0.00 H new ATOM 0 HA ARG A 69 -5.939 11.184 -0.515 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -5.811 12.105 1.752 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -4.079 12.336 1.607 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -4.336 14.311 0.506 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -5.479 13.616 -0.626 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -6.573 13.990 2.117 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -6.118 15.484 1.322 1.00 0.00 H new ATOM 0 HE ARG A 69 -8.331 13.694 0.575 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -6.081 16.204 -0.610 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -7.141 16.694 -1.936 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -9.669 14.328 -1.116 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -9.185 15.620 -2.219 1.00 0.00 H new ATOM 947 N VAL A 70 -2.738 11.044 -0.951 1.00 0.00 N ATOM 948 CA VAL A 70 -1.648 11.318 -1.871 1.00 0.00 C ATOM 949 C VAL A 70 -1.416 10.094 -2.760 1.00 0.00 C ATOM 950 O VAL A 70 -1.270 10.223 -3.974 1.00 0.00 O ATOM 951 CB VAL A 70 -0.399 11.737 -1.093 1.00 0.00 C ATOM 952 CG1 VAL A 70 0.774 10.801 -1.397 1.00 0.00 C ATOM 953 CG2 VAL A 70 -0.030 13.191 -1.389 1.00 0.00 C ATOM 0 H VAL A 70 -2.520 10.367 -0.220 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.902 12.152 -2.526 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.625 11.659 -0.029 1.00 0.00 H new ATOM 0 HG11 VAL A 70 1.650 11.120 -0.832 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.510 9.782 -1.113 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.999 10.833 -2.463 1.00 0.00 H new ATOM 0 HG21 VAL A 70 0.861 13.463 -0.823 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.168 13.307 -2.455 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.855 13.842 -1.100 1.00 0.00 H new ATOM 963 N LEU A 71 -1.392 8.934 -2.120 1.00 0.00 N ATOM 964 CA LEU A 71 -1.181 7.688 -2.837 1.00 0.00 C ATOM 965 C LEU A 71 -2.148 7.615 -4.020 1.00 0.00 C ATOM 966 O LEU A 71 -1.768 7.198 -5.113 1.00 0.00 O ATOM 967 CB LEU A 71 -1.286 6.497 -1.883 1.00 0.00 C ATOM 968 CG LEU A 71 -0.140 5.485 -1.943 1.00 0.00 C ATOM 969 CD1 LEU A 71 0.982 5.870 -0.977 1.00 0.00 C ATOM 970 CD2 LEU A 71 -0.649 4.064 -1.695 1.00 0.00 C ATOM 0 H LEU A 71 -1.515 8.831 -1.113 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.172 7.651 -3.247 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.354 6.878 -0.864 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.219 5.972 -2.090 1.00 0.00 H new ATOM 0 HG LEU A 71 0.281 5.504 -2.948 1.00 0.00 H new ATOM 0 HD11 LEU A 71 1.784 5.135 -1.039 1.00 0.00 H new ATOM 0 HD12 LEU A 71 1.370 6.853 -1.243 1.00 0.00 H new ATOM 0 HD13 LEU A 71 0.593 5.897 0.041 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.186 3.365 -1.743 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.111 4.010 -0.709 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.385 3.803 -2.456 1.00 0.00 H new ATOM 981 N ARG A 72 -3.381 8.029 -3.762 1.00 0.00 N ATOM 982 CA ARG A 72 -4.405 8.016 -4.792 1.00 0.00 C ATOM 983 C ARG A 72 -4.050 9.003 -5.907 1.00 0.00 C ATOM 984 O ARG A 72 -4.572 8.906 -7.016 1.00 0.00 O ATOM 985 CB ARG A 72 -5.774 8.381 -4.213 1.00 0.00 C ATOM 986 CG ARG A 72 -6.903 7.792 -5.060 1.00 0.00 C ATOM 987 CD ARG A 72 -8.096 8.748 -5.125 1.00 0.00 C ATOM 988 NE ARG A 72 -8.035 9.550 -6.367 1.00 0.00 N ATOM 989 CZ ARG A 72 -9.103 10.151 -6.933 1.00 0.00 C ATOM 990 NH1 ARG A 72 -10.326 10.045 -6.372 1.00 0.00 N ATOM 991 NH2 ARG A 72 -8.933 10.843 -8.044 1.00 0.00 N ATOM 0 H ARG A 72 -3.693 8.375 -2.855 1.00 0.00 H new ATOM 0 HA ARG A 72 -4.453 7.006 -5.199 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -5.851 8.011 -3.191 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -5.876 9.465 -4.168 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -6.539 7.590 -6.067 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -7.219 6.838 -4.638 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -9.028 8.183 -5.093 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -8.092 9.407 -4.257 1.00 0.00 H new ATOM 0 HE ARG A 72 -7.129 9.655 -6.824 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -10.449 9.508 -5.514 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -11.128 10.502 -6.806 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -8.005 10.917 -8.462 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -9.729 11.303 -8.485 1.00 0.00 H new ATOM 1001 N GLU A 73 -3.165 9.930 -5.572 1.00 0.00 N ATOM 1002 CA GLU A 73 -2.734 10.933 -6.530 1.00 0.00 C ATOM 1003 C GLU A 73 -1.691 10.344 -7.482 1.00 0.00 C ATOM 1004 O GLU A 73 -1.449 10.891 -8.558 1.00 0.00 O ATOM 1005 CB GLU A 73 -2.189 12.173 -5.818 1.00 0.00 C ATOM 1006 CG GLU A 73 -0.662 12.229 -5.908 1.00 0.00 C ATOM 1007 CD GLU A 73 -0.124 13.520 -5.286 1.00 0.00 C ATOM 1008 OE1 GLU A 73 -0.796 14.127 -4.439 1.00 0.00 O ATOM 1009 OE2 GLU A 73 1.036 13.888 -5.713 1.00 0.00 O ATOM 0 H GLU A 73 -2.735 10.007 -4.650 1.00 0.00 H new ATOM 0 HA GLU A 73 -3.599 11.242 -7.117 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -2.617 13.071 -6.265 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -2.495 12.160 -4.772 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -0.232 11.368 -5.397 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -0.353 12.167 -6.951 1.00 0.00 H new ATOM 1015 N ILE A 74 -1.102 9.238 -7.053 1.00 0.00 N ATOM 1016 CA ILE A 74 -0.091 8.569 -7.854 1.00 0.00 C ATOM 1017 C ILE A 74 -0.741 7.997 -9.115 1.00 0.00 C ATOM 1018 O ILE A 74 -0.866 8.692 -10.123 1.00 0.00 O ATOM 1019 CB ILE A 74 0.651 7.525 -7.018 1.00 0.00 C ATOM 1020 CG1 ILE A 74 1.196 8.143 -5.728 1.00 0.00 C ATOM 1021 CG2 ILE A 74 1.752 6.848 -7.837 1.00 0.00 C ATOM 1022 CD1 ILE A 74 2.652 8.579 -5.901 1.00 0.00 C ATOM 0 H ILE A 74 -1.306 8.788 -6.161 1.00 0.00 H new ATOM 0 HA ILE A 74 0.668 9.280 -8.180 1.00 0.00 H new ATOM 0 HB ILE A 74 -0.060 6.750 -6.730 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.587 9.002 -5.446 1.00 0.00 H new ATOM 0 HG13 ILE A 74 1.123 7.420 -4.915 1.00 0.00 H new ATOM 0 HG21 ILE A 74 2.264 6.110 -7.219 1.00 0.00 H new ATOM 0 HG22 ILE A 74 1.310 6.353 -8.702 1.00 0.00 H new ATOM 0 HG23 ILE A 74 2.468 7.598 -8.175 1.00 0.00 H new ATOM 0 HD11 ILE A 74 3.014 9.015 -4.970 1.00 0.00 H new ATOM 0 HD12 ILE A 74 3.263 7.714 -6.159 1.00 0.00 H new ATOM 0 HD13 ILE A 74 2.718 9.320 -6.698 1.00 0.00 H new ATOM 1033 N VAL A 75 -1.138 6.737 -9.019 1.00 0.00 N ATOM 1034 CA VAL A 75 -1.773 6.064 -10.138 1.00 0.00 C ATOM 1035 C VAL A 75 -2.697 7.046 -10.862 1.00 0.00 C ATOM 1036 O VAL A 75 -2.786 7.033 -12.088 1.00 0.00 O ATOM 1037 CB VAL A 75 -2.499 4.808 -9.651 1.00 0.00 C ATOM 1038 CG1 VAL A 75 -1.602 3.574 -9.774 1.00 0.00 C ATOM 1039 CG2 VAL A 75 -2.997 4.985 -8.216 1.00 0.00 C ATOM 0 H VAL A 75 -1.032 6.164 -8.182 1.00 0.00 H new ATOM 0 HA VAL A 75 -1.024 5.732 -10.857 1.00 0.00 H new ATOM 0 HB VAL A 75 -3.369 4.654 -10.290 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -2.142 2.695 -9.421 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -1.320 3.432 -10.817 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -0.705 3.715 -9.171 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -3.509 4.078 -7.894 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -2.150 5.176 -7.558 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -3.688 5.827 -8.172 1.00 0.00 H new ATOM 1049 N SER A 76 -3.362 7.876 -10.070 1.00 0.00 N ATOM 1050 CA SER A 76 -4.276 8.862 -10.619 1.00 0.00 C ATOM 1051 C SER A 76 -3.572 9.683 -11.700 1.00 0.00 C ATOM 1052 O SER A 76 -4.014 9.715 -12.848 1.00 0.00 O ATOM 1053 CB SER A 76 -4.816 9.783 -9.522 1.00 0.00 C ATOM 1054 OG SER A 76 -5.385 10.974 -10.058 1.00 0.00 O ATOM 0 H SER A 76 -3.285 7.885 -9.053 1.00 0.00 H new ATOM 0 HA SER A 76 -5.121 8.335 -11.063 1.00 0.00 H new ATOM 0 HB2 SER A 76 -5.569 9.251 -8.940 1.00 0.00 H new ATOM 0 HB3 SER A 76 -4.009 10.043 -8.837 1.00 0.00 H new ATOM 0 HG SER A 76 -5.720 11.534 -9.327 1.00 0.00 H new ATOM 1059 N GLN A 77 -2.487 10.328 -11.297 1.00 0.00 N ATOM 1060 CA GLN A 77 -1.717 11.146 -12.218 1.00 0.00 C ATOM 1061 C GLN A 77 -0.221 10.862 -12.058 1.00 0.00 C ATOM 1062 O GLN A 77 0.224 9.733 -12.256 1.00 0.00 O ATOM 1063 CB GLN A 77 -2.017 12.633 -12.013 1.00 0.00 C ATOM 1064 CG GLN A 77 -3.503 12.927 -12.230 1.00 0.00 C ATOM 1065 CD GLN A 77 -3.695 14.112 -13.177 1.00 0.00 C ATOM 1066 OE1 GLN A 77 -2.919 15.053 -13.202 1.00 0.00 O ATOM 1067 NE2 GLN A 77 -4.771 14.015 -13.954 1.00 0.00 N ATOM 0 H GLN A 77 -2.123 10.300 -10.345 1.00 0.00 H new ATOM 0 HA GLN A 77 -2.010 10.886 -13.235 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -1.727 12.931 -11.005 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -1.420 13.227 -12.705 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -3.996 12.045 -12.640 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -3.978 13.141 -11.273 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -5.380 13.200 -13.883 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -4.987 14.756 -14.621 1.00 0.00 H new ATOM 1074 N THR A 78 0.512 11.907 -11.702 1.00 0.00 N ATOM 1075 CA THR A 78 1.947 11.783 -11.514 1.00 0.00 C ATOM 1076 C THR A 78 2.264 10.616 -10.577 1.00 0.00 C ATOM 1077 O THR A 78 1.366 9.881 -10.170 1.00 0.00 O ATOM 1078 CB THR A 78 2.475 13.128 -11.008 1.00 0.00 C ATOM 1079 OG1 THR A 78 1.558 13.497 -9.981 1.00 0.00 O ATOM 1080 CG2 THR A 78 2.335 14.241 -12.049 1.00 0.00 C ATOM 0 H THR A 78 0.139 12.842 -11.539 1.00 0.00 H new ATOM 0 HA THR A 78 2.450 11.551 -12.453 1.00 0.00 H new ATOM 0 HB THR A 78 3.523 13.024 -10.726 1.00 0.00 H new ATOM 0 HG1 THR A 78 1.826 14.358 -9.597 1.00 0.00 H new ATOM 0 HG21 THR A 78 2.724 15.173 -11.640 1.00 0.00 H new ATOM 0 HG22 THR A 78 2.897 13.975 -12.944 1.00 0.00 H new ATOM 0 HG23 THR A 78 1.283 14.369 -12.306 1.00 0.00 H new ATOM 1088 N GLY A 79 3.544 10.481 -10.262 1.00 0.00 N ATOM 1089 CA GLY A 79 3.991 9.416 -9.382 1.00 0.00 C ATOM 1090 C GLY A 79 4.021 8.074 -10.116 1.00 0.00 C ATOM 1091 O GLY A 79 2.993 7.601 -10.597 1.00 0.00 O ATOM 0 H GLY A 79 4.286 11.093 -10.601 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.985 9.648 -9.000 1.00 0.00 H new ATOM 0 HA3 GLY A 79 3.327 9.348 -8.520 1.00 0.00 H new ATOM 1095 N PRO A 80 5.244 7.482 -10.182 1.00 0.00 N ATOM 1096 CA PRO A 80 5.423 6.205 -10.850 1.00 0.00 C ATOM 1097 C PRO A 80 4.875 5.059 -9.995 1.00 0.00 C ATOM 1098 O PRO A 80 4.924 5.117 -8.768 1.00 0.00 O ATOM 1099 CB PRO A 80 6.918 6.097 -11.100 1.00 0.00 C ATOM 1100 CG PRO A 80 7.571 7.093 -10.157 1.00 0.00 C ATOM 1101 CD PRO A 80 6.484 8.012 -9.624 1.00 0.00 C ATOM 0 HA PRO A 80 4.871 6.139 -11.788 1.00 0.00 H new ATOM 0 HB2 PRO A 80 7.274 5.085 -10.907 1.00 0.00 H new ATOM 0 HB3 PRO A 80 7.158 6.327 -12.138 1.00 0.00 H new ATOM 0 HG2 PRO A 80 8.068 6.574 -9.337 1.00 0.00 H new ATOM 0 HG3 PRO A 80 8.335 7.669 -10.679 1.00 0.00 H new ATOM 0 HD2 PRO A 80 6.461 8.008 -8.534 1.00 0.00 H new ATOM 0 HD3 PRO A 80 6.649 9.043 -9.936 1.00 0.00 H new ATOM 1106 N ILE A 81 4.367 4.044 -10.680 1.00 0.00 N ATOM 1107 CA ILE A 81 3.812 2.887 -9.999 1.00 0.00 C ATOM 1108 C ILE A 81 4.953 2.016 -9.467 1.00 0.00 C ATOM 1109 O ILE A 81 5.996 1.895 -10.107 1.00 0.00 O ATOM 1110 CB ILE A 81 2.844 2.138 -10.918 1.00 0.00 C ATOM 1111 CG1 ILE A 81 1.416 2.657 -10.750 1.00 0.00 C ATOM 1112 CG2 ILE A 81 2.935 0.627 -10.695 1.00 0.00 C ATOM 1113 CD1 ILE A 81 0.538 2.240 -11.932 1.00 0.00 C ATOM 0 H ILE A 81 4.328 3.999 -11.698 1.00 0.00 H new ATOM 0 HA ILE A 81 3.221 3.200 -9.138 1.00 0.00 H new ATOM 0 HB ILE A 81 3.136 2.329 -11.951 1.00 0.00 H new ATOM 0 HG12 ILE A 81 0.992 2.271 -9.823 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.428 3.744 -10.667 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.237 0.118 -11.360 1.00 0.00 H new ATOM 0 HG22 ILE A 81 3.949 0.289 -10.906 1.00 0.00 H new ATOM 0 HG23 ILE A 81 2.683 0.396 -9.660 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -0.473 2.622 -11.787 1.00 0.00 H new ATOM 0 HD12 ILE A 81 0.952 2.648 -12.854 1.00 0.00 H new ATOM 0 HD13 ILE A 81 0.509 1.152 -11.998 1.00 0.00 H new ATOM 1124 N SER A 82 4.717 1.435 -8.300 1.00 0.00 N ATOM 1125 CA SER A 82 5.711 0.581 -7.675 1.00 0.00 C ATOM 1126 C SER A 82 5.474 0.520 -6.164 1.00 0.00 C ATOM 1127 O SER A 82 6.412 0.653 -5.379 1.00 0.00 O ATOM 1128 CB SER A 82 7.128 1.077 -7.970 1.00 0.00 C ATOM 1129 OG SER A 82 7.736 0.353 -9.036 1.00 0.00 O ATOM 0 H SER A 82 3.851 1.539 -7.771 1.00 0.00 H new ATOM 0 HA SER A 82 5.611 -0.421 -8.093 1.00 0.00 H new ATOM 0 HB2 SER A 82 7.096 2.137 -8.224 1.00 0.00 H new ATOM 0 HB3 SER A 82 7.739 0.982 -7.073 1.00 0.00 H new ATOM 0 HG SER A 82 7.418 0.705 -9.894 1.00 0.00 H new ATOM 1134 N LEU A 83 4.216 0.319 -5.803 1.00 0.00 N ATOM 1135 CA LEU A 83 3.844 0.239 -4.400 1.00 0.00 C ATOM 1136 C LEU A 83 4.992 -0.386 -3.608 1.00 0.00 C ATOM 1137 O LEU A 83 5.716 -1.237 -4.122 1.00 0.00 O ATOM 1138 CB LEU A 83 2.512 -0.499 -4.240 1.00 0.00 C ATOM 1139 CG LEU A 83 2.199 -1.554 -5.303 1.00 0.00 C ATOM 1140 CD1 LEU A 83 3.386 -2.496 -5.508 1.00 0.00 C ATOM 1141 CD2 LEU A 83 0.916 -2.314 -4.960 1.00 0.00 C ATOM 0 H LEU A 83 3.441 0.209 -6.457 1.00 0.00 H new ATOM 0 HA LEU A 83 3.680 1.236 -3.991 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.502 -0.982 -3.263 1.00 0.00 H new ATOM 0 HB3 LEU A 83 1.709 0.238 -4.240 1.00 0.00 H new ATOM 0 HG LEU A 83 2.027 -1.043 -6.250 1.00 0.00 H new ATOM 0 HD11 LEU A 83 3.136 -3.236 -6.269 1.00 0.00 H new ATOM 0 HD12 LEU A 83 4.254 -1.922 -5.831 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.615 -3.003 -4.570 1.00 0.00 H new ATOM 0 HD21 LEU A 83 0.716 -3.058 -5.731 1.00 0.00 H new ATOM 0 HD22 LEU A 83 1.034 -2.812 -3.998 1.00 0.00 H new ATOM 0 HD23 LEU A 83 0.082 -1.614 -4.906 1.00 0.00 H new ATOM 1152 N THR A 84 5.124 0.059 -2.366 1.00 0.00 N ATOM 1153 CA THR A 84 6.172 -0.446 -1.497 1.00 0.00 C ATOM 1154 C THR A 84 5.640 -0.640 -0.076 1.00 0.00 C ATOM 1155 O THR A 84 4.802 0.132 0.388 1.00 0.00 O ATOM 1156 CB THR A 84 7.358 0.519 -1.575 1.00 0.00 C ATOM 1157 OG1 THR A 84 7.804 0.410 -2.924 1.00 0.00 O ATOM 1158 CG2 THR A 84 8.554 0.046 -0.747 1.00 0.00 C ATOM 0 H THR A 84 4.522 0.764 -1.942 1.00 0.00 H new ATOM 0 HA THR A 84 6.513 -1.430 -1.820 1.00 0.00 H new ATOM 0 HB THR A 84 7.047 1.505 -1.231 1.00 0.00 H new ATOM 0 HG1 THR A 84 8.571 1.004 -3.064 1.00 0.00 H new ATOM 0 HG21 THR A 84 9.367 0.766 -0.838 1.00 0.00 H new ATOM 0 HG22 THR A 84 8.261 -0.041 0.299 1.00 0.00 H new ATOM 0 HG23 THR A 84 8.888 -0.925 -1.112 1.00 0.00 H new ATOM 1166 N VAL A 85 6.148 -1.676 0.576 1.00 0.00 N ATOM 1167 CA VAL A 85 5.734 -1.980 1.935 1.00 0.00 C ATOM 1168 C VAL A 85 6.967 -2.314 2.777 1.00 0.00 C ATOM 1169 O VAL A 85 7.973 -2.787 2.250 1.00 0.00 O ATOM 1170 CB VAL A 85 4.694 -3.103 1.926 1.00 0.00 C ATOM 1171 CG1 VAL A 85 3.531 -2.766 0.992 1.00 0.00 C ATOM 1172 CG2 VAL A 85 5.335 -4.440 1.544 1.00 0.00 C ATOM 0 H VAL A 85 6.842 -2.315 0.188 1.00 0.00 H new ATOM 0 HA VAL A 85 5.254 -1.114 2.391 1.00 0.00 H new ATOM 0 HB VAL A 85 4.295 -3.199 2.936 1.00 0.00 H new ATOM 0 HG11 VAL A 85 2.807 -3.580 1.004 1.00 0.00 H new ATOM 0 HG12 VAL A 85 3.050 -1.847 1.327 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.907 -2.630 -0.022 1.00 0.00 H new ATOM 0 HG21 VAL A 85 4.575 -5.221 1.545 1.00 0.00 H new ATOM 0 HG22 VAL A 85 5.774 -4.362 0.549 1.00 0.00 H new ATOM 0 HG23 VAL A 85 6.113 -4.690 2.265 1.00 0.00 H new ATOM 1182 N ALA A 86 6.849 -2.055 4.071 1.00 0.00 N ATOM 1183 CA ALA A 86 7.942 -2.323 4.991 1.00 0.00 C ATOM 1184 C ALA A 86 7.515 -3.410 5.980 1.00 0.00 C ATOM 1185 O ALA A 86 8.057 -3.498 7.081 1.00 0.00 O ATOM 1186 CB ALA A 86 8.349 -1.024 5.690 1.00 0.00 C ATOM 0 H ALA A 86 6.013 -1.662 4.504 1.00 0.00 H new ATOM 0 HA ALA A 86 8.816 -2.692 4.454 1.00 0.00 H new ATOM 0 HB1 ALA A 86 9.169 -1.224 6.380 1.00 0.00 H new ATOM 0 HB2 ALA A 86 8.671 -0.296 4.946 1.00 0.00 H new ATOM 0 HB3 ALA A 86 7.498 -0.626 6.243 1.00 0.00 H new