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 Set 1.1: A 53 GLN :FLIP amide:sc= -2.62! C(o=-5.9!,f=-3.4!) USER MOD Set 1.2: A 58 ASN :FLIP amide:sc= -0.771 F(o=-4.5,f=-3.4) 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 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl -153:sc= 0 (180deg=-0.209) USER MOD Single : A 55 ASN : amide:sc= -2.09! C(o=-2.1!,f=-7.2!) USER MOD Single : A 61 ASN : amide:sc= -0.328 K(o=-0.33,f=-2.2!) USER MOD Single : A 62 MET CE :methyl -142:sc= -6.16! (180deg=-9.12!) USER MOD Single : A 63 SER OG : rot -65:sc= 0.833 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= -0.174 K(o=-0.17,f=-1) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 76:sc= 0.844 USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.0638 USER MOD ----------------------------------------------------------------- ATOM 15 N VAL A 2 6.533 -4.278 -2.839 1.00 0.00 N ATOM 16 CA VAL A 2 5.866 -5.084 -3.847 1.00 0.00 C ATOM 17 C VAL A 2 5.767 -4.286 -5.149 1.00 0.00 C ATOM 18 O VAL A 2 5.417 -3.107 -5.133 1.00 0.00 O ATOM 19 CB VAL A 2 4.505 -5.552 -3.328 1.00 0.00 C ATOM 20 CG1 VAL A 2 3.752 -6.342 -4.399 1.00 0.00 C ATOM 21 CG2 VAL A 2 4.660 -6.374 -2.047 1.00 0.00 C ATOM 0 HA VAL A 2 6.444 -5.983 -4.060 1.00 0.00 H new ATOM 0 HB VAL A 2 3.915 -4.667 -3.089 1.00 0.00 H new ATOM 0 HG11 VAL A 2 2.788 -6.663 -4.004 1.00 0.00 H new ATOM 0 HG12 VAL A 2 3.594 -5.710 -5.273 1.00 0.00 H new ATOM 0 HG13 VAL A 2 4.336 -7.217 -4.684 1.00 0.00 H new ATOM 0 HG21 VAL A 2 3.678 -6.694 -1.699 1.00 0.00 H new ATOM 0 HG22 VAL A 2 5.277 -7.250 -2.249 1.00 0.00 H new ATOM 0 HG23 VAL A 2 5.136 -5.764 -1.279 1.00 0.00 H new ATOM 31 N THR A 3 6.083 -4.961 -6.245 1.00 0.00 N ATOM 32 CA THR A 3 6.034 -4.329 -7.553 1.00 0.00 C ATOM 33 C THR A 3 4.821 -4.827 -8.340 1.00 0.00 C ATOM 34 O THR A 3 4.874 -5.884 -8.967 1.00 0.00 O ATOM 35 CB THR A 3 7.366 -4.595 -8.256 1.00 0.00 C ATOM 36 OG1 THR A 3 8.312 -3.839 -7.505 1.00 0.00 O ATOM 37 CG2 THR A 3 7.423 -3.978 -9.655 1.00 0.00 C ATOM 0 H THR A 3 6.374 -5.939 -6.254 1.00 0.00 H new ATOM 0 HA THR A 3 5.905 -3.250 -7.467 1.00 0.00 H new ATOM 0 HB THR A 3 7.531 -5.670 -8.326 1.00 0.00 H new ATOM 0 HG1 THR A 3 9.205 -3.956 -7.892 1.00 0.00 H new ATOM 0 HG21 THR A 3 8.389 -4.196 -10.110 1.00 0.00 H new ATOM 0 HG22 THR A 3 6.629 -4.399 -10.271 1.00 0.00 H new ATOM 0 HG23 THR A 3 7.292 -2.898 -9.582 1.00 0.00 H new ATOM 201 N ILE A 14 -8.415 0.594 -2.952 1.00 0.00 N ATOM 202 CA ILE A 14 -7.608 0.282 -1.785 1.00 0.00 C ATOM 203 C ILE A 14 -7.885 1.313 -0.688 1.00 0.00 C ATOM 204 O ILE A 14 -8.572 2.306 -0.924 1.00 0.00 O ATOM 205 CB ILE A 14 -6.131 0.174 -2.168 1.00 0.00 C ATOM 206 CG1 ILE A 14 -5.761 1.217 -3.225 1.00 0.00 C ATOM 207 CG2 ILE A 14 -5.784 -1.246 -2.619 1.00 0.00 C ATOM 208 CD1 ILE A 14 -5.794 2.629 -2.636 1.00 0.00 C ATOM 0 HA ILE A 14 -7.881 -0.694 -1.383 1.00 0.00 H new ATOM 0 HB ILE A 14 -5.532 0.386 -1.282 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -4.766 1.006 -3.617 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -6.454 1.152 -4.063 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -4.728 -1.295 -2.886 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -5.986 -1.945 -1.808 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -6.390 -1.511 -3.486 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -5.527 3.351 -3.407 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -6.796 2.846 -2.267 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -5.082 2.697 -1.814 1.00 0.00 H new ATOM 219 N SER A 15 -7.337 1.041 0.487 1.00 0.00 N ATOM 220 CA SER A 15 -7.516 1.932 1.620 1.00 0.00 C ATOM 221 C SER A 15 -6.374 1.744 2.620 1.00 0.00 C ATOM 222 O SER A 15 -5.745 0.687 2.658 1.00 0.00 O ATOM 223 CB SER A 15 -8.864 1.691 2.303 1.00 0.00 C ATOM 224 OG SER A 15 -9.795 2.735 2.031 1.00 0.00 O ATOM 0 H SER A 15 -6.769 0.216 0.679 1.00 0.00 H new ATOM 0 HA SER A 15 -7.503 2.958 1.253 1.00 0.00 H new ATOM 0 HB2 SER A 15 -9.277 0.740 1.965 1.00 0.00 H new ATOM 0 HB3 SER A 15 -8.715 1.609 3.380 1.00 0.00 H new ATOM 0 HG SER A 15 -10.643 2.543 2.483 1.00 0.00 H new ATOM 229 N ILE A 16 -6.139 2.786 3.405 1.00 0.00 N ATOM 230 CA ILE A 16 -5.083 2.748 4.402 1.00 0.00 C ATOM 231 C ILE A 16 -5.690 2.962 5.790 1.00 0.00 C ATOM 232 O ILE A 16 -6.862 3.318 5.911 1.00 0.00 O ATOM 233 CB ILE A 16 -3.980 3.750 4.053 1.00 0.00 C ATOM 234 CG1 ILE A 16 -4.522 5.180 4.043 1.00 0.00 C ATOM 235 CG2 ILE A 16 -3.306 3.383 2.730 1.00 0.00 C ATOM 236 CD1 ILE A 16 -3.993 5.976 5.238 1.00 0.00 C ATOM 0 H ILE A 16 -6.662 3.661 3.370 1.00 0.00 H new ATOM 0 HA ILE A 16 -4.603 1.770 4.410 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.216 3.701 4.828 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -4.234 5.675 3.116 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -5.612 5.160 4.069 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -2.526 4.111 2.505 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -2.864 2.390 2.810 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -4.047 3.387 1.931 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.394 6.989 5.206 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -4.303 5.492 6.164 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.905 6.015 5.196 1.00 0.00 H new ATOM 247 N VAL A 17 -4.867 2.735 6.803 1.00 0.00 N ATOM 248 CA VAL A 17 -5.308 2.898 8.178 1.00 0.00 C ATOM 249 C VAL A 17 -4.090 3.115 9.078 1.00 0.00 C ATOM 250 O VAL A 17 -2.954 2.923 8.647 1.00 0.00 O ATOM 251 CB VAL A 17 -6.158 1.698 8.600 1.00 0.00 C ATOM 252 CG1 VAL A 17 -5.408 0.386 8.365 1.00 0.00 C ATOM 253 CG2 VAL A 17 -6.598 1.825 10.060 1.00 0.00 C ATOM 0 H VAL A 17 -3.896 2.439 6.699 1.00 0.00 H new ATOM 0 HA VAL A 17 -5.943 3.779 8.274 1.00 0.00 H new ATOM 0 HB VAL A 17 -7.054 1.687 7.980 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -6.034 -0.451 8.673 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -5.168 0.289 7.306 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.487 0.384 8.948 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -7.201 0.959 10.335 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -5.719 1.874 10.702 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -7.189 2.733 10.184 1.00 0.00 H new ATOM 263 N GLY A 18 -4.368 3.511 10.311 1.00 0.00 N ATOM 264 CA GLY A 18 -3.309 3.756 11.275 1.00 0.00 C ATOM 265 C GLY A 18 -3.666 3.169 12.642 1.00 0.00 C ATOM 266 O GLY A 18 -4.613 2.392 12.760 1.00 0.00 O ATOM 0 H GLY A 18 -5.312 3.668 10.665 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -2.378 3.316 10.918 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -3.139 4.829 11.369 1.00 0.00 H new ATOM 366 N GLY A 27 3.095 2.360 11.870 1.00 0.00 N ATOM 367 CA GLY A 27 3.200 2.583 10.438 1.00 0.00 C ATOM 368 C GLY A 27 1.887 2.239 9.732 1.00 0.00 C ATOM 369 O GLY A 27 1.431 1.098 9.783 1.00 0.00 O ATOM 0 HA2 GLY A 27 3.458 3.625 10.246 1.00 0.00 H new ATOM 0 HA3 GLY A 27 4.007 1.974 10.030 1.00 0.00 H new ATOM 373 N ILE A 28 1.316 3.247 9.089 1.00 0.00 N ATOM 374 CA ILE A 28 0.064 3.066 8.374 1.00 0.00 C ATOM 375 C ILE A 28 0.146 1.794 7.526 1.00 0.00 C ATOM 376 O ILE A 28 1.175 1.519 6.911 1.00 0.00 O ATOM 377 CB ILE A 28 -0.280 4.320 7.569 1.00 0.00 C ATOM 378 CG1 ILE A 28 -0.356 5.550 8.476 1.00 0.00 C ATOM 379 CG2 ILE A 28 -1.566 4.121 6.765 1.00 0.00 C ATOM 380 CD1 ILE A 28 -1.350 5.328 9.618 1.00 0.00 C ATOM 0 H ILE A 28 1.697 4.192 9.048 1.00 0.00 H new ATOM 0 HA ILE A 28 -0.759 2.930 9.076 1.00 0.00 H new ATOM 0 HB ILE A 28 0.523 4.496 6.853 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.631 5.766 8.885 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.656 6.420 7.891 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -1.787 5.028 6.202 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.438 3.287 6.074 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -2.390 3.906 7.445 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.385 6.217 10.248 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.341 5.136 9.206 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -1.033 4.473 10.215 1.00 0.00 H new ATOM 391 N TYR A 29 -0.952 1.053 7.522 1.00 0.00 N ATOM 392 CA TYR A 29 -1.018 -0.182 6.760 1.00 0.00 C ATOM 393 C TYR A 29 -2.322 -0.267 5.964 1.00 0.00 C ATOM 394 O TYR A 29 -3.372 0.161 6.440 1.00 0.00 O ATOM 395 CB TYR A 29 -0.987 -1.314 7.788 1.00 0.00 C ATOM 396 CG TYR A 29 -2.068 -1.205 8.866 1.00 0.00 C ATOM 397 CD1 TYR A 29 -1.882 -0.369 9.948 1.00 0.00 C ATOM 398 CD2 TYR A 29 -3.229 -1.944 8.756 1.00 0.00 C ATOM 399 CE1 TYR A 29 -2.900 -0.266 10.962 1.00 0.00 C ATOM 400 CE2 TYR A 29 -4.246 -1.842 9.770 1.00 0.00 C ATOM 401 CZ TYR A 29 -4.031 -1.008 10.823 1.00 0.00 C ATOM 402 OH TYR A 29 -4.992 -0.911 11.780 1.00 0.00 O ATOM 0 H TYR A 29 -1.803 1.284 8.034 1.00 0.00 H new ATOM 0 HA TYR A 29 -0.193 -0.239 6.050 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -1.101 -2.266 7.269 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -0.009 -1.328 8.269 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -0.973 0.208 10.035 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -3.374 -2.599 7.909 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -2.768 0.386 11.813 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -5.159 -2.415 9.696 1.00 0.00 H new ATOM 0 HH TYR A 29 -5.744 -1.496 11.549 1.00 0.00 H new ATOM 411 N ILE A 30 -2.212 -0.824 4.767 1.00 0.00 N ATOM 412 CA ILE A 30 -3.370 -0.970 3.901 1.00 0.00 C ATOM 413 C ILE A 30 -4.548 -1.505 4.717 1.00 0.00 C ATOM 414 O ILE A 30 -4.442 -2.552 5.354 1.00 0.00 O ATOM 415 CB ILE A 30 -3.023 -1.832 2.685 1.00 0.00 C ATOM 416 CG1 ILE A 30 -3.906 -1.471 1.488 1.00 0.00 C ATOM 417 CG2 ILE A 30 -3.102 -3.321 3.027 1.00 0.00 C ATOM 418 CD1 ILE A 30 -3.519 -0.107 0.913 1.00 0.00 C ATOM 0 H ILE A 30 -1.339 -1.179 4.376 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.672 -0.002 3.502 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.992 -1.622 2.400 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.810 -2.235 0.717 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -4.952 -1.457 1.794 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -2.851 -3.911 2.145 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.398 -3.548 3.828 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -4.113 -3.567 3.352 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -4.162 0.125 0.064 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -3.640 0.658 1.680 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -2.480 -0.132 0.585 1.00 0.00 H new ATOM 429 N GLY A 31 -5.644 -0.761 4.672 1.00 0.00 N ATOM 430 CA GLY A 31 -6.840 -1.147 5.400 1.00 0.00 C ATOM 431 C GLY A 31 -7.339 -2.521 4.946 1.00 0.00 C ATOM 432 O GLY A 31 -7.717 -3.351 5.771 1.00 0.00 O ATOM 0 H GLY A 31 -5.728 0.107 4.143 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -6.628 -1.168 6.469 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -7.621 -0.403 5.244 1.00 0.00 H new ATOM 436 N SER A 32 -7.324 -2.717 3.636 1.00 0.00 N ATOM 437 CA SER A 32 -7.770 -3.975 3.062 1.00 0.00 C ATOM 438 C SER A 32 -7.646 -3.928 1.538 1.00 0.00 C ATOM 439 O SER A 32 -7.518 -2.853 0.955 1.00 0.00 O ATOM 440 CB SER A 32 -9.213 -4.284 3.468 1.00 0.00 C ATOM 441 OG SER A 32 -10.122 -3.288 3.009 1.00 0.00 O ATOM 0 H SER A 32 -7.010 -2.025 2.955 1.00 0.00 H new ATOM 0 HA SER A 32 -7.134 -4.772 3.447 1.00 0.00 H new ATOM 0 HB2 SER A 32 -9.503 -5.254 3.064 1.00 0.00 H new ATOM 0 HB3 SER A 32 -9.276 -4.359 4.554 1.00 0.00 H new ATOM 0 HG SER A 32 -11.032 -3.523 3.287 1.00 0.00 H new ATOM 446 N ILE A 33 -7.688 -5.108 0.937 1.00 0.00 N ATOM 447 CA ILE A 33 -7.582 -5.216 -0.508 1.00 0.00 C ATOM 448 C ILE A 33 -8.914 -5.707 -1.079 1.00 0.00 C ATOM 449 O ILE A 33 -9.404 -6.767 -0.694 1.00 0.00 O ATOM 450 CB ILE A 33 -6.388 -6.091 -0.894 1.00 0.00 C ATOM 451 CG1 ILE A 33 -5.068 -5.350 -0.668 1.00 0.00 C ATOM 452 CG2 ILE A 33 -6.521 -6.598 -2.332 1.00 0.00 C ATOM 453 CD1 ILE A 33 -4.713 -5.305 0.819 1.00 0.00 C ATOM 0 H ILE A 33 -7.794 -5.998 1.425 1.00 0.00 H new ATOM 0 HA ILE A 33 -7.387 -4.238 -0.949 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.382 -6.965 -0.243 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -4.270 -5.845 -1.221 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -5.145 -4.335 -1.058 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -5.659 -7.217 -2.581 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -7.432 -7.189 -2.427 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -6.567 -5.749 -3.014 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -3.771 -4.773 0.952 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -5.502 -4.789 1.366 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -4.613 -6.321 1.200 1.00 0.00 H new ATOM 464 N MET A 34 -9.461 -4.912 -1.986 1.00 0.00 N ATOM 465 CA MET A 34 -10.727 -5.252 -2.613 1.00 0.00 C ATOM 466 C MET A 34 -10.782 -6.740 -2.966 1.00 0.00 C ATOM 467 O MET A 34 -11.861 -7.325 -3.040 1.00 0.00 O ATOM 468 CB MET A 34 -10.908 -4.419 -3.884 1.00 0.00 C ATOM 469 CG MET A 34 -11.490 -3.042 -3.558 1.00 0.00 C ATOM 470 SD MET A 34 -13.269 -3.082 -3.700 1.00 0.00 S ATOM 471 CE MET A 34 -13.636 -1.349 -3.478 1.00 0.00 C ATOM 0 H MET A 34 -9.051 -4.033 -2.302 1.00 0.00 H new ATOM 0 HA MET A 34 -11.530 -5.035 -1.908 1.00 0.00 H new ATOM 0 HB2 MET A 34 -9.948 -4.302 -4.387 1.00 0.00 H new ATOM 0 HB3 MET A 34 -11.568 -4.943 -4.575 1.00 0.00 H new ATOM 0 HG2 MET A 34 -11.204 -2.747 -2.548 1.00 0.00 H new ATOM 0 HG3 MET A 34 -11.079 -2.295 -4.237 1.00 0.00 H new ATOM 0 HE1 MET A 34 -14.713 -1.195 -3.538 1.00 0.00 H new ATOM 0 HE2 MET A 34 -13.277 -1.023 -2.502 1.00 0.00 H new ATOM 0 HE3 MET A 34 -13.142 -0.770 -4.258 1.00 0.00 H new ATOM 595 N ILE A 45 -2.929 -10.575 -0.603 1.00 0.00 N ATOM 596 CA ILE A 45 -2.380 -9.439 0.119 1.00 0.00 C ATOM 597 C ILE A 45 -3.050 -9.340 1.491 1.00 0.00 C ATOM 598 O ILE A 45 -4.103 -9.935 1.716 1.00 0.00 O ATOM 599 CB ILE A 45 -2.502 -8.164 -0.718 1.00 0.00 C ATOM 600 CG1 ILE A 45 -1.679 -8.272 -2.004 1.00 0.00 C ATOM 601 CG2 ILE A 45 -2.122 -6.931 0.104 1.00 0.00 C ATOM 602 CD1 ILE A 45 -0.182 -8.339 -1.693 1.00 0.00 C ATOM 0 HA ILE A 45 -1.313 -9.578 0.294 1.00 0.00 H new ATOM 0 HB ILE A 45 -3.545 -8.046 -1.012 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.979 -9.161 -2.558 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -1.883 -7.413 -2.644 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -2.217 -6.038 -0.514 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -2.786 -6.849 0.965 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.092 -7.026 0.448 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.380 -8.415 -2.624 1.00 0.00 H new ATOM 0 HD12 ILE A 45 0.120 -7.437 -1.160 1.00 0.00 H new ATOM 0 HD13 ILE A 45 0.022 -9.212 -1.073 1.00 0.00 H new ATOM 613 N GLU A 46 -2.412 -8.585 2.372 1.00 0.00 N ATOM 614 CA GLU A 46 -2.933 -8.400 3.716 1.00 0.00 C ATOM 615 C GLU A 46 -3.026 -6.910 4.049 1.00 0.00 C ATOM 616 O GLU A 46 -2.390 -6.083 3.397 1.00 0.00 O ATOM 617 CB GLU A 46 -2.073 -9.139 4.743 1.00 0.00 C ATOM 618 CG GLU A 46 -2.291 -10.651 4.655 1.00 0.00 C ATOM 619 CD GLU A 46 -2.519 -11.253 6.043 1.00 0.00 C ATOM 620 OE1 GLU A 46 -2.936 -10.540 6.968 1.00 0.00 O ATOM 621 OE2 GLU A 46 -2.247 -12.511 6.143 1.00 0.00 O ATOM 0 H GLU A 46 -1.539 -8.094 2.182 1.00 0.00 H new ATOM 0 HA GLU A 46 -3.936 -8.824 3.758 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.021 -8.909 4.574 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -2.318 -8.790 5.746 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -3.150 -10.862 4.018 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -1.425 -11.121 4.189 1.00 0.00 H new ATOM 627 N PRO A 47 -3.846 -6.604 5.090 1.00 0.00 N ATOM 628 CA PRO A 47 -4.031 -5.228 5.518 1.00 0.00 C ATOM 629 C PRO A 47 -2.808 -4.723 6.287 1.00 0.00 C ATOM 630 O PRO A 47 -2.431 -3.559 6.167 1.00 0.00 O ATOM 631 CB PRO A 47 -5.297 -5.244 6.359 1.00 0.00 C ATOM 632 CG PRO A 47 -5.515 -6.695 6.756 1.00 0.00 C ATOM 633 CD PRO A 47 -4.616 -7.557 5.885 1.00 0.00 C ATOM 0 HA PRO A 47 -4.134 -4.538 4.681 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -5.189 -4.610 7.239 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -6.147 -4.862 5.793 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -5.280 -6.842 7.810 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -6.560 -6.975 6.621 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -3.963 -8.186 6.490 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -5.200 -8.222 5.249 1.00 0.00 H new ATOM 638 N GLY A 48 -2.223 -5.626 7.061 1.00 0.00 N ATOM 639 CA GLY A 48 -1.051 -5.287 7.850 1.00 0.00 C ATOM 640 C GLY A 48 0.223 -5.377 7.007 1.00 0.00 C ATOM 641 O GLY A 48 1.326 -5.446 7.547 1.00 0.00 O ATOM 0 H GLY A 48 -2.539 -6.591 7.158 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.156 -4.278 8.249 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.975 -5.961 8.703 1.00 0.00 H new ATOM 645 N ASP A 49 0.028 -5.374 5.696 1.00 0.00 N ATOM 646 CA ASP A 49 1.147 -5.454 4.773 1.00 0.00 C ATOM 647 C ASP A 49 2.089 -4.273 5.016 1.00 0.00 C ATOM 648 O ASP A 49 3.294 -4.379 4.792 1.00 0.00 O ATOM 649 CB ASP A 49 0.669 -5.387 3.321 1.00 0.00 C ATOM 650 CG ASP A 49 1.706 -5.810 2.279 1.00 0.00 C ATOM 651 OD1 ASP A 49 2.454 -6.778 2.479 1.00 0.00 O ATOM 652 OD2 ASP A 49 1.728 -5.090 1.209 1.00 0.00 O ATOM 0 H ASP A 49 -0.888 -5.317 5.252 1.00 0.00 H new ATOM 0 HA ASP A 49 1.656 -6.403 4.942 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.211 -6.021 3.214 1.00 0.00 H new ATOM 0 HB3 ASP A 49 0.354 -4.366 3.105 1.00 0.00 H new ATOM 657 N MET A 50 1.504 -3.175 5.470 1.00 0.00 N ATOM 658 CA MET A 50 2.276 -1.975 5.746 1.00 0.00 C ATOM 659 C MET A 50 2.577 -1.209 4.456 1.00 0.00 C ATOM 660 O MET A 50 3.719 -0.820 4.213 1.00 0.00 O ATOM 661 CB MET A 50 3.590 -2.359 6.430 1.00 0.00 C ATOM 662 CG MET A 50 3.829 -1.504 7.676 1.00 0.00 C ATOM 663 SD MET A 50 3.596 -2.490 9.146 1.00 0.00 S ATOM 664 CE MET A 50 3.936 -1.264 10.398 1.00 0.00 C ATOM 0 H MET A 50 0.504 -3.091 5.654 1.00 0.00 H new ATOM 0 HA MET A 50 1.690 -1.331 6.401 1.00 0.00 H new ATOM 0 HB2 MET A 50 3.566 -3.413 6.707 1.00 0.00 H new ATOM 0 HB3 MET A 50 4.418 -2.232 5.733 1.00 0.00 H new ATOM 0 HG2 MET A 50 4.839 -1.095 7.659 1.00 0.00 H new ATOM 0 HG3 MET A 50 3.143 -0.657 7.683 1.00 0.00 H new ATOM 0 HE1 MET A 50 4.305 -1.756 11.298 1.00 0.00 H new ATOM 0 HE2 MET A 50 4.690 -0.568 10.030 1.00 0.00 H new ATOM 0 HE3 MET A 50 3.021 -0.719 10.631 1.00 0.00 H new ATOM 672 N LEU A 51 1.534 -1.014 3.664 1.00 0.00 N ATOM 673 CA LEU A 51 1.672 -0.301 2.405 1.00 0.00 C ATOM 674 C LEU A 51 1.452 1.194 2.644 1.00 0.00 C ATOM 675 O LEU A 51 0.333 1.688 2.522 1.00 0.00 O ATOM 676 CB LEU A 51 0.742 -0.898 1.346 1.00 0.00 C ATOM 677 CG LEU A 51 0.731 -0.191 -0.011 1.00 0.00 C ATOM 678 CD1 LEU A 51 -0.296 0.942 -0.030 1.00 0.00 C ATOM 679 CD2 LEU A 51 2.131 0.297 -0.386 1.00 0.00 C ATOM 0 H LEU A 51 0.589 -1.337 3.869 1.00 0.00 H new ATOM 0 HA LEU A 51 2.682 -0.416 2.011 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.024 -1.939 1.189 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.274 -0.899 1.742 1.00 0.00 H new ATOM 0 HG LEU A 51 0.428 -0.912 -0.770 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.284 1.428 -1.006 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.289 0.536 0.160 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.048 1.671 0.742 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.095 0.796 -1.355 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.487 0.997 0.370 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.810 -0.554 -0.441 1.00 0.00 H new ATOM 690 N LEU A 52 2.539 1.872 2.981 1.00 0.00 N ATOM 691 CA LEU A 52 2.480 3.301 3.238 1.00 0.00 C ATOM 692 C LEU A 52 3.584 4.004 2.446 1.00 0.00 C ATOM 693 O LEU A 52 3.790 5.208 2.596 1.00 0.00 O ATOM 694 CB LEU A 52 2.531 3.577 4.742 1.00 0.00 C ATOM 695 CG LEU A 52 3.928 3.708 5.353 1.00 0.00 C ATOM 696 CD1 LEU A 52 4.844 2.581 4.873 1.00 0.00 C ATOM 697 CD2 LEU A 52 4.522 5.090 5.070 1.00 0.00 C ATOM 0 H LEU A 52 3.466 1.458 3.082 1.00 0.00 H new ATOM 0 HA LEU A 52 1.530 3.711 2.894 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.981 4.497 4.941 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.005 2.773 5.257 1.00 0.00 H new ATOM 0 HG LEU A 52 3.839 3.611 6.435 1.00 0.00 H new ATOM 0 HD11 LEU A 52 5.830 2.698 5.322 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.423 1.620 5.167 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.932 2.621 3.787 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.515 5.157 5.515 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.596 5.241 3.993 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.879 5.858 5.500 1.00 0.00 H new ATOM 708 N GLN A 53 4.264 3.223 1.619 1.00 0.00 N ATOM 709 CA GLN A 53 5.341 3.756 0.803 1.00 0.00 C ATOM 710 C GLN A 53 5.217 3.251 -0.636 1.00 0.00 C ATOM 711 O GLN A 53 4.634 2.196 -0.879 1.00 0.00 O ATOM 712 CB GLN A 53 6.706 3.396 1.394 1.00 0.00 C ATOM 713 CG GLN A 53 6.738 1.937 1.852 1.00 0.00 C ATOM 714 CD GLN A 53 7.780 1.731 2.953 1.00 0.00 C ATOM 715 OE1 GLN A 53 8.332 0.520 2.955 1.00 0.00 O flip ATOM 716 NE2 GLN A 53 8.065 2.612 3.747 1.00 0.00 N flip ATOM 0 H GLN A 53 4.090 2.225 1.497 1.00 0.00 H new ATOM 0 HA GLN A 53 5.260 4.843 0.794 1.00 0.00 H new ATOM 0 HB2 GLN A 53 7.484 3.564 0.650 1.00 0.00 H new ATOM 0 HB3 GLN A 53 6.925 4.051 2.238 1.00 0.00 H new ATOM 0 HG2 GLN A 53 5.754 1.646 2.219 1.00 0.00 H new ATOM 0 HG3 GLN A 53 6.967 1.291 1.004 1.00 0.00 H new ATOM 0 HE21 GLN A 53 7.603 3.520 3.689 1.00 0.00 H new ATOM 0 HE22 GLN A 53 8.765 2.441 4.469 1.00 0.00 H new ATOM 723 N VAL A 54 5.773 4.030 -1.553 1.00 0.00 N ATOM 724 CA VAL A 54 5.732 3.675 -2.961 1.00 0.00 C ATOM 725 C VAL A 54 7.075 4.017 -3.609 1.00 0.00 C ATOM 726 O VAL A 54 7.775 4.920 -3.154 1.00 0.00 O ATOM 727 CB VAL A 54 4.547 4.366 -3.640 1.00 0.00 C ATOM 728 CG1 VAL A 54 4.760 4.458 -5.152 1.00 0.00 C ATOM 729 CG2 VAL A 54 3.235 3.651 -3.313 1.00 0.00 C ATOM 0 H VAL A 54 6.254 4.906 -1.348 1.00 0.00 H new ATOM 0 HA VAL A 54 5.578 2.603 -3.080 1.00 0.00 H new ATOM 0 HB VAL A 54 4.481 5.381 -3.249 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.904 4.953 -5.611 1.00 0.00 H new ATOM 0 HG12 VAL A 54 5.664 5.031 -5.358 1.00 0.00 H new ATOM 0 HG13 VAL A 54 4.864 3.455 -5.566 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.409 4.162 -3.808 1.00 0.00 H new ATOM 0 HG22 VAL A 54 3.286 2.620 -3.663 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.074 3.661 -2.235 1.00 0.00 H new ATOM 739 N ASN A 55 7.394 3.277 -4.661 1.00 0.00 N ATOM 740 CA ASN A 55 8.641 3.491 -5.375 1.00 0.00 C ATOM 741 C ASN A 55 9.757 3.778 -4.370 1.00 0.00 C ATOM 742 O ASN A 55 9.805 3.174 -3.300 1.00 0.00 O ATOM 743 CB ASN A 55 8.535 4.689 -6.320 1.00 0.00 C ATOM 744 CG ASN A 55 9.492 4.539 -7.505 1.00 0.00 C ATOM 745 OD1 ASN A 55 10.660 4.886 -7.441 1.00 0.00 O ATOM 746 ND2 ASN A 55 8.933 4.004 -8.587 1.00 0.00 N ATOM 0 H ASN A 55 6.811 2.529 -5.036 1.00 0.00 H new ATOM 0 HA ASN A 55 8.857 2.593 -5.954 1.00 0.00 H new ATOM 0 HB2 ASN A 55 7.512 4.780 -6.684 1.00 0.00 H new ATOM 0 HB3 ASN A 55 8.763 5.606 -5.777 1.00 0.00 H new ATOM 0 HD21 ASN A 55 9.488 3.862 -9.431 1.00 0.00 H new ATOM 0 HD22 ASN A 55 7.949 3.736 -8.573 1.00 0.00 H new ATOM 752 N ASP A 56 10.628 4.702 -4.749 1.00 0.00 N ATOM 753 CA ASP A 56 11.741 5.077 -3.893 1.00 0.00 C ATOM 754 C ASP A 56 11.238 6.009 -2.789 1.00 0.00 C ATOM 755 O ASP A 56 12.022 6.487 -1.970 1.00 0.00 O ATOM 756 CB ASP A 56 12.818 5.822 -4.686 1.00 0.00 C ATOM 757 CG ASP A 56 14.211 5.190 -4.634 1.00 0.00 C ATOM 758 OD1 ASP A 56 14.673 4.749 -3.572 1.00 0.00 O ATOM 759 OD2 ASP A 56 14.838 5.161 -5.761 1.00 0.00 O ATOM 0 H ASP A 56 10.586 5.202 -5.637 1.00 0.00 H new ATOM 0 HA ASP A 56 12.167 4.165 -3.474 1.00 0.00 H new ATOM 0 HB2 ASP A 56 12.503 5.886 -5.727 1.00 0.00 H new ATOM 0 HB3 ASP A 56 12.884 6.843 -4.310 1.00 0.00 H new ATOM 764 N VAL A 57 9.933 6.239 -2.801 1.00 0.00 N ATOM 765 CA VAL A 57 9.317 7.104 -1.810 1.00 0.00 C ATOM 766 C VAL A 57 9.026 6.297 -0.544 1.00 0.00 C ATOM 767 O VAL A 57 8.837 5.083 -0.607 1.00 0.00 O ATOM 768 CB VAL A 57 8.068 7.765 -2.398 1.00 0.00 C ATOM 769 CG1 VAL A 57 7.022 8.024 -1.311 1.00 0.00 C ATOM 770 CG2 VAL A 57 8.426 9.058 -3.133 1.00 0.00 C ATOM 0 H VAL A 57 9.286 5.841 -3.481 1.00 0.00 H new ATOM 0 HA VAL A 57 9.996 7.910 -1.532 1.00 0.00 H new ATOM 0 HB VAL A 57 7.635 7.077 -3.123 1.00 0.00 H new ATOM 0 HG11 VAL A 57 6.145 8.494 -1.755 1.00 0.00 H new ATOM 0 HG12 VAL A 57 6.734 7.079 -0.851 1.00 0.00 H new ATOM 0 HG13 VAL A 57 7.442 8.684 -0.552 1.00 0.00 H new ATOM 0 HG21 VAL A 57 7.521 9.507 -3.541 1.00 0.00 H new ATOM 0 HG22 VAL A 57 8.895 9.754 -2.437 1.00 0.00 H new ATOM 0 HG23 VAL A 57 9.118 8.835 -3.945 1.00 0.00 H new ATOM 780 N ASN A 58 9.000 7.003 0.577 1.00 0.00 N ATOM 781 CA ASN A 58 8.735 6.367 1.856 1.00 0.00 C ATOM 782 C ASN A 58 8.064 7.374 2.792 1.00 0.00 C ATOM 783 O ASN A 58 8.742 8.099 3.519 1.00 0.00 O ATOM 784 CB ASN A 58 10.033 5.900 2.518 1.00 0.00 C ATOM 785 CG ASN A 58 10.770 4.894 1.630 1.00 0.00 C ATOM 786 OD1 ASN A 58 10.120 3.746 1.460 1.00 0.00 O flip ATOM 787 ND2 ASN A 58 11.855 5.143 1.133 1.00 0.00 N flip ATOM 0 H ASN A 58 9.158 8.009 0.626 1.00 0.00 H new ATOM 0 HA ASN A 58 8.091 5.506 1.677 1.00 0.00 H new ATOM 0 HB2 ASN A 58 10.676 6.759 2.712 1.00 0.00 H new ATOM 0 HB3 ASN A 58 9.810 5.444 3.483 1.00 0.00 H new ATOM 0 HD21 ASN A 58 12.299 6.045 1.304 1.00 0.00 H new ATOM 0 HD22 ASN A 58 12.318 4.449 0.546 1.00 0.00 H new ATOM 793 N PHE A 59 6.740 7.387 2.744 1.00 0.00 N ATOM 794 CA PHE A 59 5.969 8.293 3.579 1.00 0.00 C ATOM 795 C PHE A 59 5.913 7.793 5.024 1.00 0.00 C ATOM 796 O PHE A 59 4.834 7.677 5.603 1.00 0.00 O ATOM 797 CB PHE A 59 4.550 8.328 3.009 1.00 0.00 C ATOM 798 CG PHE A 59 4.469 8.851 1.573 1.00 0.00 C ATOM 799 CD1 PHE A 59 5.265 9.881 1.179 1.00 0.00 C ATOM 800 CD2 PHE A 59 3.601 8.287 0.691 1.00 0.00 C ATOM 801 CE1 PHE A 59 5.190 10.367 -0.153 1.00 0.00 C ATOM 802 CE2 PHE A 59 3.526 8.772 -0.641 1.00 0.00 C ATOM 803 CZ PHE A 59 4.322 9.802 -1.035 1.00 0.00 C ATOM 0 H PHE A 59 6.181 6.784 2.140 1.00 0.00 H new ATOM 0 HA PHE A 59 6.431 9.280 3.582 1.00 0.00 H new ATOM 0 HB2 PHE A 59 4.131 7.322 3.043 1.00 0.00 H new ATOM 0 HB3 PHE A 59 3.928 8.954 3.649 1.00 0.00 H new ATOM 0 HD1 PHE A 59 5.954 10.329 1.879 1.00 0.00 H new ATOM 0 HD2 PHE A 59 2.968 7.470 1.004 1.00 0.00 H new ATOM 0 HE1 PHE A 59 5.822 11.185 -0.466 1.00 0.00 H new ATOM 0 HE2 PHE A 59 2.837 8.323 -1.341 1.00 0.00 H new ATOM 0 HZ PHE A 59 4.265 10.171 -2.048 1.00 0.00 H new ATOM 812 N GLU A 60 7.089 7.510 5.565 1.00 0.00 N ATOM 813 CA GLU A 60 7.188 7.025 6.931 1.00 0.00 C ATOM 814 C GLU A 60 6.765 8.119 7.914 1.00 0.00 C ATOM 815 O GLU A 60 5.727 8.006 8.565 1.00 0.00 O ATOM 816 CB GLU A 60 8.603 6.530 7.236 1.00 0.00 C ATOM 817 CG GLU A 60 8.927 5.268 6.435 1.00 0.00 C ATOM 818 CD GLU A 60 8.909 4.029 7.332 1.00 0.00 C ATOM 819 OE1 GLU A 60 9.636 3.979 8.336 1.00 0.00 O ATOM 820 OE2 GLU A 60 8.102 3.096 6.956 1.00 0.00 O ATOM 0 H GLU A 60 7.982 7.607 5.082 1.00 0.00 H new ATOM 0 HA GLU A 60 6.511 6.179 7.046 1.00 0.00 H new ATOM 0 HB2 GLU A 60 9.325 7.311 6.998 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.698 6.323 8.302 1.00 0.00 H new ATOM 0 HG2 GLU A 60 8.203 5.148 5.629 1.00 0.00 H new ATOM 0 HG3 GLU A 60 9.907 5.370 5.970 1.00 0.00 H new ATOM 826 N ASN A 61 7.590 9.153 7.990 1.00 0.00 N ATOM 827 CA ASN A 61 7.315 10.266 8.883 1.00 0.00 C ATOM 828 C ASN A 61 5.862 10.711 8.702 1.00 0.00 C ATOM 829 O ASN A 61 5.264 11.276 9.617 1.00 0.00 O ATOM 830 CB ASN A 61 8.218 11.460 8.569 1.00 0.00 C ATOM 831 CG ASN A 61 9.179 11.740 9.726 1.00 0.00 C ATOM 832 OD1 ASN A 61 9.391 10.919 10.603 1.00 0.00 O ATOM 833 ND2 ASN A 61 9.746 12.942 9.680 1.00 0.00 N ATOM 0 H ASN A 61 8.449 9.244 7.448 1.00 0.00 H new ATOM 0 HA ASN A 61 7.500 9.933 9.904 1.00 0.00 H new ATOM 0 HB2 ASN A 61 8.786 11.262 7.660 1.00 0.00 H new ATOM 0 HB3 ASN A 61 7.607 12.342 8.377 1.00 0.00 H new ATOM 0 HD21 ASN A 61 10.403 13.224 10.408 1.00 0.00 H new ATOM 0 HD22 ASN A 61 9.524 13.582 8.917 1.00 0.00 H new ATOM 839 N MET A 62 5.337 10.441 7.516 1.00 0.00 N ATOM 840 CA MET A 62 3.966 10.807 7.204 1.00 0.00 C ATOM 841 C MET A 62 2.982 10.090 8.131 1.00 0.00 C ATOM 842 O MET A 62 2.543 10.654 9.132 1.00 0.00 O ATOM 843 CB MET A 62 3.658 10.441 5.751 1.00 0.00 C ATOM 844 CG MET A 62 3.494 11.696 4.892 1.00 0.00 C ATOM 845 SD MET A 62 1.935 11.643 4.025 1.00 0.00 S ATOM 846 CE MET A 62 2.453 10.865 2.504 1.00 0.00 C ATOM 0 H MET A 62 5.836 9.973 6.760 1.00 0.00 H new ATOM 0 HA MET A 62 3.855 11.882 7.349 1.00 0.00 H new ATOM 0 HB2 MET A 62 4.462 9.824 5.350 1.00 0.00 H new ATOM 0 HB3 MET A 62 2.746 9.845 5.708 1.00 0.00 H new ATOM 0 HG2 MET A 62 3.540 12.585 5.520 1.00 0.00 H new ATOM 0 HG3 MET A 62 4.314 11.768 4.178 1.00 0.00 H new ATOM 0 HE1 MET A 62 1.919 11.313 1.666 1.00 0.00 H new ATOM 0 HE2 MET A 62 3.525 11.008 2.369 1.00 0.00 H new ATOM 0 HE3 MET A 62 2.232 9.799 2.547 1.00 0.00 H new ATOM 854 N SER A 63 2.665 8.857 7.765 1.00 0.00 N ATOM 855 CA SER A 63 1.742 8.056 8.551 1.00 0.00 C ATOM 856 C SER A 63 0.635 8.945 9.122 1.00 0.00 C ATOM 857 O SER A 63 0.401 8.952 10.330 1.00 0.00 O ATOM 858 CB SER A 63 2.470 7.324 9.680 1.00 0.00 C ATOM 859 OG SER A 63 1.607 7.041 10.777 1.00 0.00 O ATOM 0 H SER A 63 3.031 8.393 6.934 1.00 0.00 H new ATOM 0 HA SER A 63 1.297 7.306 7.897 1.00 0.00 H new ATOM 0 HB2 SER A 63 2.888 6.393 9.298 1.00 0.00 H new ATOM 0 HB3 SER A 63 3.307 7.931 10.025 1.00 0.00 H new ATOM 0 HG SER A 63 1.320 7.881 11.193 1.00 0.00 H new ATOM 864 N ASN A 64 -0.016 9.673 8.227 1.00 0.00 N ATOM 865 CA ASN A 64 -1.093 10.563 8.628 1.00 0.00 C ATOM 866 C ASN A 64 -2.424 9.814 8.548 1.00 0.00 C ATOM 867 O ASN A 64 -3.483 10.432 8.441 1.00 0.00 O ATOM 868 CB ASN A 64 -1.177 11.778 7.700 1.00 0.00 C ATOM 869 CG ASN A 64 -1.559 13.037 8.480 1.00 0.00 C ATOM 870 OD1 ASN A 64 -0.775 13.599 9.226 1.00 0.00 O ATOM 871 ND2 ASN A 64 -2.806 13.448 8.265 1.00 0.00 N ATOM 0 H ASN A 64 0.181 9.665 7.226 1.00 0.00 H new ATOM 0 HA ASN A 64 -0.892 10.899 9.645 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -0.218 11.929 7.205 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -1.913 11.593 6.918 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -3.157 14.281 8.738 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -3.411 12.931 7.627 1.00 0.00 H new ATOM 877 N ASP A 65 -2.328 8.494 8.602 1.00 0.00 N ATOM 878 CA ASP A 65 -3.512 7.654 8.537 1.00 0.00 C ATOM 879 C ASP A 65 -4.417 8.143 7.404 1.00 0.00 C ATOM 880 O ASP A 65 -5.627 7.924 7.433 1.00 0.00 O ATOM 881 CB ASP A 65 -4.309 7.724 9.842 1.00 0.00 C ATOM 882 CG ASP A 65 -3.462 7.760 11.115 1.00 0.00 C ATOM 883 OD1 ASP A 65 -2.537 8.576 11.244 1.00 0.00 O ATOM 884 OD2 ASP A 65 -3.788 6.892 12.012 1.00 0.00 O ATOM 0 H ASP A 65 -1.448 7.985 8.690 1.00 0.00 H new ATOM 0 HA ASP A 65 -3.188 6.627 8.366 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -4.940 8.613 9.818 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -4.974 6.862 9.891 1.00 0.00 H new ATOM 889 N ASP A 66 -3.796 8.795 6.433 1.00 0.00 N ATOM 890 CA ASP A 66 -4.530 9.316 5.292 1.00 0.00 C ATOM 891 C ASP A 66 -3.550 9.626 4.159 1.00 0.00 C ATOM 892 O ASP A 66 -3.793 10.521 3.351 1.00 0.00 O ATOM 893 CB ASP A 66 -5.260 10.611 5.653 1.00 0.00 C ATOM 894 CG ASP A 66 -6.288 10.482 6.779 1.00 0.00 C ATOM 895 OD1 ASP A 66 -7.277 9.744 6.660 1.00 0.00 O ATOM 896 OD2 ASP A 66 -6.038 11.190 7.828 1.00 0.00 O ATOM 0 H ASP A 66 -2.792 8.975 6.412 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.258 8.564 4.987 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.521 11.359 5.940 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -5.764 10.986 4.763 1.00 0.00 H new ATOM 901 N ALA A 67 -2.464 8.868 4.135 1.00 0.00 N ATOM 902 CA ALA A 67 -1.446 9.050 3.114 1.00 0.00 C ATOM 903 C ALA A 67 -2.080 8.876 1.732 1.00 0.00 C ATOM 904 O ALA A 67 -1.502 9.283 0.725 1.00 0.00 O ATOM 905 CB ALA A 67 -0.298 8.068 3.356 1.00 0.00 C ATOM 0 H ALA A 67 -2.267 8.126 4.806 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.030 10.056 3.162 1.00 0.00 H new ATOM 0 HB1 ALA A 67 0.465 8.205 2.590 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.137 8.252 4.339 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -0.677 7.047 3.312 1.00 0.00 H new ATOM 911 N VAL A 68 -3.259 8.272 1.729 1.00 0.00 N ATOM 912 CA VAL A 68 -3.977 8.039 0.487 1.00 0.00 C ATOM 913 C VAL A 68 -4.198 9.374 -0.227 1.00 0.00 C ATOM 914 O VAL A 68 -4.061 9.460 -1.446 1.00 0.00 O ATOM 915 CB VAL A 68 -5.280 7.289 0.769 1.00 0.00 C ATOM 916 CG1 VAL A 68 -6.338 7.611 -0.289 1.00 0.00 C ATOM 917 CG2 VAL A 68 -5.037 5.782 0.860 1.00 0.00 C ATOM 0 H VAL A 68 -3.735 7.937 2.566 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.391 7.406 -0.180 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.658 7.626 1.734 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.254 7.065 -0.065 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.543 8.682 -0.284 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.971 7.316 -1.272 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -5.980 5.273 1.061 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.624 5.422 -0.083 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -4.334 5.575 1.666 1.00 0.00 H new ATOM 927 N ARG A 69 -4.536 10.383 0.563 1.00 0.00 N ATOM 928 CA ARG A 69 -4.777 11.709 0.022 1.00 0.00 C ATOM 929 C ARG A 69 -3.696 12.071 -0.998 1.00 0.00 C ATOM 930 O ARG A 69 -3.922 12.896 -1.882 1.00 0.00 O ATOM 931 CB ARG A 69 -4.793 12.762 1.132 1.00 0.00 C ATOM 932 CG ARG A 69 -4.906 14.172 0.548 1.00 0.00 C ATOM 933 CD ARG A 69 -5.944 14.999 1.310 1.00 0.00 C ATOM 934 NE ARG A 69 -7.159 15.173 0.482 1.00 0.00 N ATOM 935 CZ ARG A 69 -8.261 15.839 0.886 1.00 0.00 C ATOM 936 NH1 ARG A 69 -8.311 16.401 2.112 1.00 0.00 N ATOM 937 NH2 ARG A 69 -9.290 15.932 0.063 1.00 0.00 N ATOM 0 H ARG A 69 -4.649 10.308 1.574 1.00 0.00 H new ATOM 0 HA ARG A 69 -5.752 11.696 -0.466 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -5.630 12.575 1.804 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -3.883 12.683 1.727 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -3.936 14.667 0.594 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -5.184 14.113 -0.504 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -6.200 14.503 2.246 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -5.527 15.973 1.568 1.00 0.00 H new ATOM 0 HE ARG A 69 -7.163 14.764 -0.452 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -7.512 16.324 2.741 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -9.148 16.903 2.409 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -9.244 15.504 -0.862 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -10.131 16.432 0.352 1.00 0.00 H new ATOM 947 N VAL A 70 -2.543 11.436 -0.842 1.00 0.00 N ATOM 948 CA VAL A 70 -1.427 11.680 -1.739 1.00 0.00 C ATOM 949 C VAL A 70 -1.200 10.445 -2.613 1.00 0.00 C ATOM 950 O VAL A 70 -1.038 10.559 -3.827 1.00 0.00 O ATOM 951 CB VAL A 70 -0.188 12.080 -0.935 1.00 0.00 C ATOM 952 CG1 VAL A 70 0.978 11.128 -1.215 1.00 0.00 C ATOM 953 CG2 VAL A 70 0.208 13.530 -1.222 1.00 0.00 C ATOM 0 H VAL A 70 -2.358 10.753 -0.107 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.648 12.513 -2.406 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.437 12.004 0.123 1.00 0.00 H new ATOM 0 HG11 VAL A 70 1.846 11.434 -0.631 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.694 10.113 -0.937 1.00 0.00 H new ATOM 0 HG13 VAL A 70 1.225 11.158 -2.276 1.00 0.00 H new ATOM 0 HG21 VAL A 70 1.091 13.788 -0.638 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.429 13.644 -2.283 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.614 14.192 -0.950 1.00 0.00 H new ATOM 963 N LEU A 71 -1.195 9.291 -1.961 1.00 0.00 N ATOM 964 CA LEU A 71 -0.991 8.035 -2.663 1.00 0.00 C ATOM 965 C LEU A 71 -1.938 7.967 -3.863 1.00 0.00 C ATOM 966 O LEU A 71 -1.540 7.547 -4.948 1.00 0.00 O ATOM 967 CB LEU A 71 -1.132 6.854 -1.700 1.00 0.00 C ATOM 968 CG LEU A 71 -0.048 5.779 -1.795 1.00 0.00 C ATOM 969 CD1 LEU A 71 1.150 6.129 -0.910 1.00 0.00 C ATOM 970 CD2 LEU A 71 -0.616 4.397 -1.469 1.00 0.00 C ATOM 0 H LEU A 71 -1.329 9.200 -0.954 1.00 0.00 H new ATOM 0 HA LEU A 71 0.025 7.978 -3.054 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.144 7.241 -0.681 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.099 6.383 -1.873 1.00 0.00 H new ATOM 0 HG LEU A 71 0.310 5.745 -2.824 1.00 0.00 H new ATOM 0 HD11 LEU A 71 1.906 5.349 -0.996 1.00 0.00 H new ATOM 0 HD12 LEU A 71 1.573 7.081 -1.230 1.00 0.00 H new ATOM 0 HD13 LEU A 71 0.825 6.207 0.128 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.176 3.651 -1.544 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.018 4.399 -0.456 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.411 4.155 -2.174 1.00 0.00 H new ATOM 981 N ARG A 72 -3.172 8.386 -3.627 1.00 0.00 N ATOM 982 CA ARG A 72 -4.179 8.378 -4.675 1.00 0.00 C ATOM 983 C ARG A 72 -3.788 9.346 -5.794 1.00 0.00 C ATOM 984 O ARG A 72 -4.293 9.245 -6.911 1.00 0.00 O ATOM 985 CB ARG A 72 -5.550 8.773 -4.124 1.00 0.00 C ATOM 986 CG ARG A 72 -6.650 8.519 -5.157 1.00 0.00 C ATOM 987 CD ARG A 72 -6.969 7.026 -5.261 1.00 0.00 C ATOM 988 NE ARG A 72 -8.425 6.808 -5.109 1.00 0.00 N ATOM 989 CZ ARG A 72 -9.323 6.967 -6.105 1.00 0.00 C ATOM 990 NH1 ARG A 72 -8.920 7.347 -7.336 1.00 0.00 N ATOM 991 NH2 ARG A 72 -10.600 6.745 -5.856 1.00 0.00 N ATOM 0 H ARG A 72 -3.498 8.733 -2.725 1.00 0.00 H new ATOM 0 HA ARG A 72 -4.238 7.364 -5.071 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -5.759 8.205 -3.218 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -5.544 9.827 -3.845 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -7.549 9.068 -4.879 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -6.335 8.896 -6.130 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -6.634 6.640 -6.224 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -6.428 6.476 -4.491 1.00 0.00 H new ATOM 0 HE ARG A 72 -8.772 6.519 -4.194 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -7.931 7.516 -7.519 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -9.605 7.465 -8.083 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -10.895 6.458 -4.923 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -11.292 6.860 -6.597 1.00 0.00 H new ATOM 1001 N GLU A 73 -2.891 10.261 -5.455 1.00 0.00 N ATOM 1002 CA GLU A 73 -2.427 11.245 -6.417 1.00 0.00 C ATOM 1003 C GLU A 73 -1.378 10.627 -7.345 1.00 0.00 C ATOM 1004 O GLU A 73 -1.115 11.152 -8.426 1.00 0.00 O ATOM 1005 CB GLU A 73 -1.872 12.483 -5.710 1.00 0.00 C ATOM 1006 CG GLU A 73 -0.344 12.509 -5.767 1.00 0.00 C ATOM 1007 CD GLU A 73 0.207 13.799 -5.157 1.00 0.00 C ATOM 1008 OE1 GLU A 73 -0.453 14.847 -5.223 1.00 0.00 O ATOM 1009 OE2 GLU A 73 1.363 13.688 -4.597 1.00 0.00 O ATOM 0 H GLU A 73 -2.474 10.341 -4.528 1.00 0.00 H new ATOM 0 HA GLU A 73 -3.277 11.562 -7.022 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -2.272 13.383 -6.177 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -2.201 12.490 -4.671 1.00 0.00 H new ATOM 0 HG2 GLU A 73 0.058 11.649 -5.231 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -0.014 12.422 -6.802 1.00 0.00 H new ATOM 1015 N ILE A 74 -0.808 9.522 -6.888 1.00 0.00 N ATOM 1016 CA ILE A 74 0.205 8.828 -7.663 1.00 0.00 C ATOM 1017 C ILE A 74 -0.443 8.203 -8.900 1.00 0.00 C ATOM 1018 O ILE A 74 -0.549 8.847 -9.942 1.00 0.00 O ATOM 1019 CB ILE A 74 0.954 7.822 -6.787 1.00 0.00 C ATOM 1020 CG1 ILE A 74 1.464 8.484 -5.505 1.00 0.00 C ATOM 1021 CG2 ILE A 74 2.081 7.145 -7.569 1.00 0.00 C ATOM 1022 CD1 ILE A 74 2.932 8.892 -5.645 1.00 0.00 C ATOM 0 H ILE A 74 -1.029 9.090 -5.991 1.00 0.00 H new ATOM 0 HA ILE A 74 0.959 9.530 -8.019 1.00 0.00 H new ATOM 0 HB ILE A 74 0.254 7.041 -6.490 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.859 9.362 -5.279 1.00 0.00 H new ATOM 0 HG13 ILE A 74 1.352 7.796 -4.667 1.00 0.00 H new ATOM 0 HG21 ILE A 74 2.597 6.435 -6.923 1.00 0.00 H new ATOM 0 HG22 ILE A 74 1.663 6.618 -8.427 1.00 0.00 H new ATOM 0 HG23 ILE A 74 2.787 7.899 -7.916 1.00 0.00 H new ATOM 0 HD11 ILE A 74 3.269 9.360 -4.720 1.00 0.00 H new ATOM 0 HD12 ILE A 74 3.538 8.008 -5.846 1.00 0.00 H new ATOM 0 HD13 ILE A 74 3.036 9.599 -6.468 1.00 0.00 H new ATOM 1033 N VAL A 75 -0.862 6.955 -8.743 1.00 0.00 N ATOM 1034 CA VAL A 75 -1.497 6.236 -9.833 1.00 0.00 C ATOM 1035 C VAL A 75 -2.360 7.206 -10.644 1.00 0.00 C ATOM 1036 O VAL A 75 -2.434 7.103 -11.867 1.00 0.00 O ATOM 1037 CB VAL A 75 -2.289 5.047 -9.285 1.00 0.00 C ATOM 1038 CG1 VAL A 75 -1.467 3.759 -9.363 1.00 0.00 C ATOM 1039 CG2 VAL A 75 -2.757 5.313 -7.853 1.00 0.00 C ATOM 0 H VAL A 75 -0.774 6.424 -7.877 1.00 0.00 H new ATOM 0 HA VAL A 75 -0.746 5.826 -10.508 1.00 0.00 H new ATOM 0 HB VAL A 75 -3.174 4.918 -9.908 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -2.053 2.929 -8.967 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -1.206 3.556 -10.402 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -0.556 3.873 -8.776 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -3.317 4.452 -7.488 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -1.891 5.481 -7.213 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -3.396 6.196 -7.837 1.00 0.00 H new ATOM 1049 N SER A 76 -2.991 8.126 -9.928 1.00 0.00 N ATOM 1050 CA SER A 76 -3.845 9.113 -10.566 1.00 0.00 C ATOM 1051 C SER A 76 -3.058 9.875 -11.634 1.00 0.00 C ATOM 1052 O SER A 76 -3.394 9.819 -12.816 1.00 0.00 O ATOM 1053 CB SER A 76 -4.424 10.087 -9.537 1.00 0.00 C ATOM 1054 OG SER A 76 -4.951 11.260 -10.150 1.00 0.00 O ATOM 0 H SER A 76 -2.928 8.208 -8.913 1.00 0.00 H new ATOM 0 HA SER A 76 -4.676 8.591 -11.040 1.00 0.00 H new ATOM 0 HB2 SER A 76 -5.211 9.590 -8.970 1.00 0.00 H new ATOM 0 HB3 SER A 76 -3.647 10.367 -8.826 1.00 0.00 H new ATOM 0 HG SER A 76 -5.312 11.855 -9.460 1.00 0.00 H new ATOM 1059 N GLN A 77 -2.026 10.570 -11.179 1.00 0.00 N ATOM 1060 CA GLN A 77 -1.188 11.342 -12.081 1.00 0.00 C ATOM 1061 C GLN A 77 0.290 11.080 -11.788 1.00 0.00 C ATOM 1062 O GLN A 77 0.701 9.931 -11.625 1.00 0.00 O ATOM 1063 CB GLN A 77 -1.510 12.835 -11.985 1.00 0.00 C ATOM 1064 CG GLN A 77 -3.019 13.075 -12.047 1.00 0.00 C ATOM 1065 CD GLN A 77 -3.353 14.225 -13.001 1.00 0.00 C ATOM 1066 OE1 GLN A 77 -2.714 14.424 -14.021 1.00 0.00 O ATOM 1067 NE2 GLN A 77 -4.386 14.967 -12.613 1.00 0.00 N ATOM 0 H GLN A 77 -1.751 10.615 -10.198 1.00 0.00 H new ATOM 0 HA GLN A 77 -1.397 11.023 -13.102 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -1.112 13.237 -11.053 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -1.019 13.370 -12.798 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -3.522 12.166 -12.377 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -3.396 13.304 -11.050 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -4.877 14.745 -11.747 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -4.687 15.758 -13.181 1.00 0.00 H new ATOM 1074 N THR A 78 1.050 12.163 -11.729 1.00 0.00 N ATOM 1075 CA THR A 78 2.475 12.065 -11.458 1.00 0.00 C ATOM 1076 C THR A 78 2.740 11.023 -10.370 1.00 0.00 C ATOM 1077 O THR A 78 1.839 10.671 -9.610 1.00 0.00 O ATOM 1078 CB THR A 78 2.985 13.462 -11.099 1.00 0.00 C ATOM 1079 OG1 THR A 78 2.102 13.900 -10.070 1.00 0.00 O ATOM 1080 CG2 THR A 78 2.772 14.472 -12.229 1.00 0.00 C ATOM 0 H THR A 78 0.706 13.114 -11.864 1.00 0.00 H new ATOM 0 HA THR A 78 3.022 11.719 -12.335 1.00 0.00 H new ATOM 0 HB THR A 78 4.046 13.409 -10.855 1.00 0.00 H new ATOM 0 HG1 THR A 78 2.362 14.798 -9.777 1.00 0.00 H new ATOM 0 HG21 THR A 78 3.151 15.447 -11.922 1.00 0.00 H new ATOM 0 HG22 THR A 78 3.305 14.139 -13.120 1.00 0.00 H new ATOM 0 HG23 THR A 78 1.708 14.550 -12.451 1.00 0.00 H new ATOM 1088 N GLY A 79 3.980 10.558 -10.330 1.00 0.00 N ATOM 1089 CA GLY A 79 4.375 9.563 -9.348 1.00 0.00 C ATOM 1090 C GLY A 79 4.490 8.177 -9.987 1.00 0.00 C ATOM 1091 O GLY A 79 3.525 7.669 -10.555 1.00 0.00 O ATOM 0 H GLY A 79 4.724 10.852 -10.962 1.00 0.00 H new ATOM 0 HA2 GLY A 79 5.331 9.844 -8.905 1.00 0.00 H new ATOM 0 HA3 GLY A 79 3.645 9.535 -8.539 1.00 0.00 H new ATOM 1095 N PRO A 80 5.712 7.590 -9.869 1.00 0.00 N ATOM 1096 CA PRO A 80 5.966 6.274 -10.428 1.00 0.00 C ATOM 1097 C PRO A 80 5.320 5.181 -9.574 1.00 0.00 C ATOM 1098 O PRO A 80 5.237 5.310 -8.353 1.00 0.00 O ATOM 1099 CB PRO A 80 7.481 6.160 -10.492 1.00 0.00 C ATOM 1100 CG PRO A 80 8.019 7.218 -9.543 1.00 0.00 C ATOM 1101 CD PRO A 80 6.878 8.162 -9.202 1.00 0.00 C ATOM 0 HA PRO A 80 5.528 6.146 -11.418 1.00 0.00 H new ATOM 0 HB2 PRO A 80 7.811 5.165 -10.194 1.00 0.00 H new ATOM 0 HB3 PRO A 80 7.843 6.325 -11.507 1.00 0.00 H new ATOM 0 HG2 PRO A 80 8.414 6.754 -8.639 1.00 0.00 H new ATOM 0 HG3 PRO A 80 8.841 7.764 -10.006 1.00 0.00 H new ATOM 0 HD2 PRO A 80 6.726 8.226 -8.125 1.00 0.00 H new ATOM 0 HD3 PRO A 80 7.081 9.173 -9.556 1.00 0.00 H new ATOM 1106 N ILE A 81 4.879 4.130 -10.249 1.00 0.00 N ATOM 1107 CA ILE A 81 4.243 3.015 -9.567 1.00 0.00 C ATOM 1108 C ILE A 81 5.319 2.075 -9.022 1.00 0.00 C ATOM 1109 O ILE A 81 6.361 1.888 -9.650 1.00 0.00 O ATOM 1110 CB ILE A 81 3.235 2.327 -10.491 1.00 0.00 C ATOM 1111 CG1 ILE A 81 1.848 2.958 -10.355 1.00 0.00 C ATOM 1112 CG2 ILE A 81 3.205 0.818 -10.242 1.00 0.00 C ATOM 1113 CD1 ILE A 81 0.855 2.312 -11.323 1.00 0.00 C ATOM 0 H ILE A 81 4.949 4.027 -11.261 1.00 0.00 H new ATOM 0 HA ILE A 81 3.667 3.369 -8.712 1.00 0.00 H new ATOM 0 HB ILE A 81 3.558 2.477 -11.521 1.00 0.00 H new ATOM 0 HG12 ILE A 81 1.491 2.843 -9.332 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.910 4.028 -10.553 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.481 0.353 -10.911 1.00 0.00 H new ATOM 0 HG22 ILE A 81 4.194 0.399 -10.429 1.00 0.00 H new ATOM 0 HG23 ILE A 81 2.919 0.625 -9.208 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -0.123 2.779 -11.206 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.203 2.450 -12.347 1.00 0.00 H new ATOM 0 HD13 ILE A 81 0.777 1.247 -11.107 1.00 0.00 H new ATOM 1124 N SER A 82 5.032 1.508 -7.860 1.00 0.00 N ATOM 1125 CA SER A 82 5.962 0.592 -7.223 1.00 0.00 C ATOM 1126 C SER A 82 5.695 0.536 -5.718 1.00 0.00 C ATOM 1127 O SER A 82 6.626 0.596 -4.916 1.00 0.00 O ATOM 1128 CB SER A 82 7.411 1.005 -7.490 1.00 0.00 C ATOM 1129 OG SER A 82 7.997 0.245 -8.544 1.00 0.00 O ATOM 0 H SER A 82 4.167 1.666 -7.342 1.00 0.00 H new ATOM 0 HA SER A 82 5.810 -0.400 -7.649 1.00 0.00 H new ATOM 0 HB2 SER A 82 7.445 2.064 -7.745 1.00 0.00 H new ATOM 0 HB3 SER A 82 7.998 0.877 -6.581 1.00 0.00 H new ATOM 0 HG SER A 82 7.653 0.561 -9.406 1.00 0.00 H new ATOM 1134 N LEU A 83 4.419 0.422 -5.380 1.00 0.00 N ATOM 1135 CA LEU A 83 4.017 0.358 -3.985 1.00 0.00 C ATOM 1136 C LEU A 83 5.110 -0.344 -3.176 1.00 0.00 C ATOM 1137 O LEU A 83 5.774 -1.249 -3.678 1.00 0.00 O ATOM 1138 CB LEU A 83 2.640 -0.295 -3.853 1.00 0.00 C ATOM 1139 CG LEU A 83 1.651 -0.009 -4.986 1.00 0.00 C ATOM 1140 CD1 LEU A 83 1.843 -0.993 -6.142 1.00 0.00 C ATOM 1141 CD2 LEU A 83 0.211 -0.005 -4.469 1.00 0.00 C ATOM 0 H LEU A 83 3.650 0.372 -6.048 1.00 0.00 H new ATOM 0 HA LEU A 83 3.909 1.362 -3.574 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.777 -1.374 -3.780 1.00 0.00 H new ATOM 0 HB3 LEU A 83 2.192 0.033 -2.915 1.00 0.00 H new ATOM 0 HG LEU A 83 1.856 0.988 -5.375 1.00 0.00 H new ATOM 0 HD11 LEU A 83 1.128 -0.768 -6.934 1.00 0.00 H new ATOM 0 HD12 LEU A 83 2.857 -0.903 -6.532 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.681 -2.010 -5.785 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -0.471 0.201 -5.294 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -0.024 -0.978 -4.038 1.00 0.00 H new ATOM 0 HD23 LEU A 83 0.100 0.766 -3.706 1.00 0.00 H new ATOM 1152 N THR A 84 5.262 0.100 -1.937 1.00 0.00 N ATOM 1153 CA THR A 84 6.263 -0.474 -1.054 1.00 0.00 C ATOM 1154 C THR A 84 5.722 -0.568 0.374 1.00 0.00 C ATOM 1155 O THR A 84 4.895 0.244 0.784 1.00 0.00 O ATOM 1156 CB THR A 84 7.534 0.370 -1.168 1.00 0.00 C ATOM 1157 OG1 THR A 84 7.995 0.126 -2.494 1.00 0.00 O ATOM 1158 CG2 THR A 84 8.664 -0.151 -0.278 1.00 0.00 C ATOM 0 H THR A 84 4.709 0.851 -1.524 1.00 0.00 H new ATOM 0 HA THR A 84 6.507 -1.496 -1.344 1.00 0.00 H new ATOM 0 HB THR A 84 7.309 1.403 -0.902 1.00 0.00 H new ATOM 0 HG1 THR A 84 8.816 0.637 -2.654 1.00 0.00 H new ATOM 0 HG21 THR A 84 9.542 0.483 -0.397 1.00 0.00 H new ATOM 0 HG22 THR A 84 8.343 -0.136 0.764 1.00 0.00 H new ATOM 0 HG23 THR A 84 8.913 -1.172 -0.566 1.00 0.00 H new ATOM 1166 N VAL A 85 6.212 -1.568 1.094 1.00 0.00 N ATOM 1167 CA VAL A 85 5.789 -1.779 2.467 1.00 0.00 C ATOM 1168 C VAL A 85 7.017 -2.046 3.340 1.00 0.00 C ATOM 1169 O VAL A 85 8.044 -2.511 2.847 1.00 0.00 O ATOM 1170 CB VAL A 85 4.756 -2.906 2.529 1.00 0.00 C ATOM 1171 CG1 VAL A 85 3.608 -2.651 1.550 1.00 0.00 C ATOM 1172 CG2 VAL A 85 5.409 -4.264 2.266 1.00 0.00 C ATOM 0 H VAL A 85 6.898 -2.240 0.751 1.00 0.00 H new ATOM 0 HA VAL A 85 5.301 -0.886 2.857 1.00 0.00 H new ATOM 0 HB VAL A 85 4.340 -2.924 3.536 1.00 0.00 H new ATOM 0 HG11 VAL A 85 2.888 -3.466 1.614 1.00 0.00 H new ATOM 0 HG12 VAL A 85 3.116 -1.712 1.803 1.00 0.00 H new ATOM 0 HG13 VAL A 85 4.001 -2.593 0.535 1.00 0.00 H new ATOM 0 HG21 VAL A 85 4.653 -5.047 2.316 1.00 0.00 H new ATOM 0 HG22 VAL A 85 5.865 -4.263 1.276 1.00 0.00 H new ATOM 0 HG23 VAL A 85 6.175 -4.451 3.018 1.00 0.00 H new ATOM 1182 N ALA A 86 6.871 -1.740 4.621 1.00 0.00 N ATOM 1183 CA ALA A 86 7.956 -1.940 5.566 1.00 0.00 C ATOM 1184 C ALA A 86 7.816 -3.321 6.210 1.00 0.00 C ATOM 1185 O ALA A 86 8.007 -3.470 7.416 1.00 0.00 O ATOM 1186 CB ALA A 86 7.949 -0.812 6.599 1.00 0.00 C ATOM 0 H ALA A 86 6.018 -1.355 5.026 1.00 0.00 H new ATOM 0 HA ALA A 86 8.919 -1.909 5.057 1.00 0.00 H new ATOM 0 HB1 ALA A 86 8.763 -0.963 7.308 1.00 0.00 H new ATOM 0 HB2 ALA A 86 8.080 0.145 6.094 1.00 0.00 H new ATOM 0 HB3 ALA A 86 6.999 -0.813 7.133 1.00 0.00 H new