USER MOD reduce.3.24.130724 H: found=0, std=0, add=559, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 561 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 42 THR OG1 : rot 180:sc= -1.33 USER MOD Set 1.2: A 54 MET CE :methyl 142:sc= -1.3 (180deg=-0.354) USER MOD Single : A 2 THR OG1 : rot 15:sc= 0.79 USER MOD Single : A 4 LYS NZ :NH3+ 144:sc= -0.639 (180deg=-2.13!) USER MOD Single : A 5 GLN :FLIP amide:sc= -0.918 F(o=-2.3,f=-0.92) USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.543 USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 38 ASN : amide:sc= -5.85! C(o=-5.8!,f=-7!) USER MOD Single : A 47 ASN : amide:sc= -1.47! C(o=-1.5!,f=-1.2!) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0.00434 USER MOD Single : A 59 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.089) USER MOD Single : A 62 GLN :FLIP amide:sc= -2.65! C(o=-3.9!,f=-2.6!) USER MOD Single : A 68 THR OG1 : rot -171:sc= -2.7! USER MOD Single : A 71 GLN : amide:sc= -0.27 X(o=-0.27,f=0) USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0.017) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 49.683 -13.479 19.173 1.00 0.00 N ATOM 21 CA THR A 2 51.103 -13.145 19.200 1.00 0.00 C ATOM 22 C THR A 2 51.830 -13.823 18.047 1.00 0.00 C ATOM 23 O THR A 2 51.501 -14.949 17.677 1.00 0.00 O ATOM 24 CB THR A 2 51.734 -13.614 20.518 1.00 0.00 C ATOM 25 OG1 THR A 2 50.708 -13.984 21.427 1.00 0.00 O ATOM 26 CG2 THR A 2 52.573 -12.487 21.123 1.00 0.00 C ATOM 0 HA THR A 2 51.196 -12.063 19.108 1.00 0.00 H new ATOM 0 HB THR A 2 52.377 -14.473 20.324 1.00 0.00 H new ATOM 0 HG1 THR A 2 49.861 -14.081 20.943 1.00 0.00 H new ATOM 0 HG21 THR A 2 53.018 -12.827 22.058 1.00 0.00 H new ATOM 0 HG22 THR A 2 53.363 -12.207 20.426 1.00 0.00 H new ATOM 0 HG23 THR A 2 51.937 -11.623 21.316 1.00 0.00 H new ATOM 34 N VAL A 3 52.844 -13.157 17.507 1.00 0.00 N ATOM 35 CA VAL A 3 53.619 -13.729 16.446 1.00 0.00 C ATOM 36 C VAL A 3 55.042 -13.339 16.628 1.00 0.00 C ATOM 37 O VAL A 3 55.368 -12.180 16.870 1.00 0.00 O ATOM 38 CB VAL A 3 53.160 -13.260 15.098 1.00 0.00 C ATOM 39 CG1 VAL A 3 52.037 -14.160 14.629 1.00 0.00 C ATOM 40 CG2 VAL A 3 52.683 -11.811 15.192 1.00 0.00 C ATOM 0 H VAL A 3 53.137 -12.224 17.795 1.00 0.00 H new ATOM 0 HA VAL A 3 53.497 -14.811 16.486 1.00 0.00 H new ATOM 0 HB VAL A 3 53.982 -13.305 14.383 1.00 0.00 H new ATOM 0 HG11 VAL A 3 51.692 -13.831 13.649 1.00 0.00 H new ATOM 0 HG12 VAL A 3 52.398 -15.186 14.561 1.00 0.00 H new ATOM 0 HG13 VAL A 3 51.211 -14.112 15.339 1.00 0.00 H new ATOM 0 HG21 VAL A 3 52.350 -11.473 14.211 1.00 0.00 H new ATOM 0 HG22 VAL A 3 51.855 -11.745 15.898 1.00 0.00 H new ATOM 0 HG23 VAL A 3 53.503 -11.180 15.534 1.00 0.00 H new ATOM 50 N LYS A 4 55.870 -14.327 16.532 1.00 0.00 N ATOM 51 CA LYS A 4 57.267 -14.144 16.706 1.00 0.00 C ATOM 52 C LYS A 4 58.033 -15.181 15.941 1.00 0.00 C ATOM 53 O LYS A 4 57.690 -16.363 15.952 1.00 0.00 O ATOM 54 CB LYS A 4 57.617 -14.215 18.172 1.00 0.00 C ATOM 55 CG LYS A 4 57.345 -15.617 18.731 1.00 0.00 C ATOM 56 CD LYS A 4 55.918 -16.116 18.408 1.00 0.00 C ATOM 57 CE LYS A 4 54.839 -15.132 18.907 1.00 0.00 C ATOM 58 NZ LYS A 4 54.709 -15.252 20.386 1.00 0.00 N ATOM 0 H LYS A 4 55.592 -15.287 16.330 1.00 0.00 H new ATOM 0 HA LYS A 4 57.540 -13.161 16.322 1.00 0.00 H new ATOM 0 HB2 LYS A 4 58.668 -13.961 18.312 1.00 0.00 H new ATOM 0 HB3 LYS A 4 57.034 -13.479 18.725 1.00 0.00 H new ATOM 0 HG2 LYS A 4 58.073 -16.316 18.320 1.00 0.00 H new ATOM 0 HG3 LYS A 4 57.487 -15.608 19.812 1.00 0.00 H new ATOM 0 HD2 LYS A 4 55.816 -16.252 17.331 1.00 0.00 H new ATOM 0 HD3 LYS A 4 55.761 -17.091 18.869 1.00 0.00 H new ATOM 0 HE2 LYS A 4 55.108 -14.111 18.636 1.00 0.00 H new ATOM 0 HE3 LYS A 4 53.884 -15.348 18.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 54.518 -14.315 20.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 53.925 -15.896 20.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 55.593 -15.629 20.783 1.00 0.00 H new ATOM 72 N GLN A 5 59.051 -14.728 15.244 1.00 0.00 N ATOM 73 CA GLN A 5 59.832 -15.634 14.432 1.00 0.00 C ATOM 74 C GLN A 5 61.289 -15.222 14.347 1.00 0.00 C ATOM 75 O GLN A 5 61.635 -14.048 14.437 1.00 0.00 O ATOM 76 CB GLN A 5 59.246 -15.640 13.034 1.00 0.00 C ATOM 77 CG GLN A 5 57.718 -15.574 13.120 1.00 0.00 C ATOM 78 CD GLN A 5 57.109 -15.699 11.726 1.00 0.00 C ATOM 79 OE1 GLN A 5 57.840 -16.146 10.741 1.00 0.00 O flip ATOM 80 NE2 GLN A 5 55.936 -15.382 11.530 1.00 0.00 N flip ATOM 0 H GLN A 5 59.354 -13.754 15.222 1.00 0.00 H new ATOM 0 HA GLN A 5 59.794 -16.621 14.892 1.00 0.00 H new ATOM 0 HB2 GLN A 5 59.626 -14.791 12.465 1.00 0.00 H new ATOM 0 HB3 GLN A 5 59.552 -16.542 12.504 1.00 0.00 H new ATOM 0 HG2 GLN A 5 57.347 -16.374 13.761 1.00 0.00 H new ATOM 0 HG3 GLN A 5 57.412 -14.633 13.576 1.00 0.00 H new ATOM 0 HE21 GLN A 5 55.366 -15.033 12.301 1.00 0.00 H new ATOM 0 HE22 GLN A 5 55.533 -15.468 10.597 1.00 0.00 H new ATOM 89 N THR A 6 62.132 -16.206 14.137 1.00 0.00 N ATOM 90 CA THR A 6 63.541 -15.973 13.992 1.00 0.00 C ATOM 91 C THR A 6 63.892 -15.985 12.514 1.00 0.00 C ATOM 92 O THR A 6 63.908 -17.040 11.880 1.00 0.00 O ATOM 93 CB THR A 6 64.316 -17.060 14.730 1.00 0.00 C ATOM 94 OG1 THR A 6 63.636 -17.391 15.933 1.00 0.00 O ATOM 95 CG2 THR A 6 65.711 -16.550 15.055 1.00 0.00 C ATOM 0 H THR A 6 61.857 -17.185 14.063 1.00 0.00 H new ATOM 0 HA THR A 6 63.807 -15.005 14.417 1.00 0.00 H new ATOM 0 HB THR A 6 64.391 -17.948 14.102 1.00 0.00 H new ATOM 0 HG1 THR A 6 64.132 -18.090 16.407 1.00 0.00 H new ATOM 0 HG21 THR A 6 66.268 -17.324 15.583 1.00 0.00 H new ATOM 0 HG22 THR A 6 66.230 -16.296 14.131 1.00 0.00 H new ATOM 0 HG23 THR A 6 65.637 -15.664 15.685 1.00 0.00 H new ATOM 103 N VAL A 7 64.148 -14.806 11.961 1.00 0.00 N ATOM 104 CA VAL A 7 64.467 -14.707 10.539 1.00 0.00 C ATOM 105 C VAL A 7 65.976 -14.618 10.314 1.00 0.00 C ATOM 106 O VAL A 7 66.624 -13.664 10.741 1.00 0.00 O ATOM 107 CB VAL A 7 63.779 -13.467 9.933 1.00 0.00 C ATOM 108 CG1 VAL A 7 63.338 -13.751 8.486 1.00 0.00 C ATOM 109 CG2 VAL A 7 62.549 -13.092 10.771 1.00 0.00 C ATOM 0 H VAL A 7 64.142 -13.918 12.463 1.00 0.00 H new ATOM 0 HA VAL A 7 64.101 -15.608 10.047 1.00 0.00 H new ATOM 0 HB VAL A 7 64.491 -12.642 9.934 1.00 0.00 H new ATOM 0 HG11 VAL A 7 62.854 -12.866 8.073 1.00 0.00 H new ATOM 0 HG12 VAL A 7 64.210 -14.003 7.883 1.00 0.00 H new ATOM 0 HG13 VAL A 7 62.637 -14.586 8.476 1.00 0.00 H new ATOM 0 HG21 VAL A 7 62.067 -12.215 10.338 1.00 0.00 H new ATOM 0 HG22 VAL A 7 61.846 -13.925 10.779 1.00 0.00 H new ATOM 0 HG23 VAL A 7 62.859 -12.869 11.792 1.00 0.00 H new ATOM 119 N GLU A 8 66.523 -15.607 9.612 1.00 0.00 N ATOM 120 CA GLU A 8 67.949 -15.612 9.306 1.00 0.00 C ATOM 121 C GLU A 8 68.199 -14.680 8.130 1.00 0.00 C ATOM 122 O GLU A 8 67.556 -14.810 7.088 1.00 0.00 O ATOM 123 CB GLU A 8 68.409 -17.028 8.954 1.00 0.00 C ATOM 124 CG GLU A 8 67.815 -18.021 9.954 1.00 0.00 C ATOM 125 CD GLU A 8 68.513 -19.371 9.827 1.00 0.00 C ATOM 126 OE1 GLU A 8 68.982 -19.870 10.836 1.00 0.00 O ATOM 127 OE2 GLU A 8 68.569 -19.885 8.722 1.00 0.00 O ATOM 0 H GLU A 8 66.006 -16.407 9.248 1.00 0.00 H new ATOM 0 HA GLU A 8 68.511 -15.273 10.176 1.00 0.00 H new ATOM 0 HB2 GLU A 8 68.095 -17.283 7.942 1.00 0.00 H new ATOM 0 HB3 GLU A 8 69.497 -17.083 8.973 1.00 0.00 H new ATOM 0 HG2 GLU A 8 67.927 -17.639 10.969 1.00 0.00 H new ATOM 0 HG3 GLU A 8 66.746 -18.137 9.773 1.00 0.00 H new ATOM 134 N ILE A 9 69.103 -13.718 8.297 1.00 0.00 N ATOM 135 CA ILE A 9 69.362 -12.767 7.221 1.00 0.00 C ATOM 136 C ILE A 9 70.578 -13.141 6.404 1.00 0.00 C ATOM 137 O ILE A 9 71.543 -13.712 6.913 1.00 0.00 O ATOM 138 CB ILE A 9 69.605 -11.355 7.775 1.00 0.00 C ATOM 139 CG1 ILE A 9 69.017 -11.210 9.184 1.00 0.00 C ATOM 140 CG2 ILE A 9 68.967 -10.335 6.839 1.00 0.00 C ATOM 141 CD1 ILE A 9 68.416 -9.815 9.364 1.00 0.00 C ATOM 0 H ILE A 9 69.655 -13.578 9.143 1.00 0.00 H new ATOM 0 HA ILE A 9 68.474 -12.790 6.590 1.00 0.00 H new ATOM 0 HB ILE A 9 70.679 -11.181 7.838 1.00 0.00 H new ATOM 0 HG12 ILE A 9 68.251 -11.968 9.346 1.00 0.00 H new ATOM 0 HG13 ILE A 9 69.794 -11.378 9.930 1.00 0.00 H new ATOM 0 HG21 ILE A 9 69.136 -9.330 7.226 1.00 0.00 H new ATOM 0 HG22 ILE A 9 69.413 -10.422 5.848 1.00 0.00 H new ATOM 0 HG23 ILE A 9 67.895 -10.523 6.772 1.00 0.00 H new ATOM 0 HD11 ILE A 9 68.002 -9.724 10.368 1.00 0.00 H new ATOM 0 HD12 ILE A 9 69.192 -9.063 9.222 1.00 0.00 H new ATOM 0 HD13 ILE A 9 67.625 -9.662 8.630 1.00 0.00 H new ATOM 311 N ALA A 20 62.218 -1.427 7.526 1.00 0.00 N ATOM 312 CA ALA A 20 62.346 -1.340 8.970 1.00 0.00 C ATOM 313 C ALA A 20 61.528 -0.167 9.492 1.00 0.00 C ATOM 314 O ALA A 20 60.975 -0.216 10.589 1.00 0.00 O ATOM 315 CB ALA A 20 63.821 -1.145 9.333 1.00 0.00 C ATOM 0 HA ALA A 20 61.976 -2.259 9.424 1.00 0.00 H new ATOM 0 HB1 ALA A 20 63.923 -1.079 10.416 1.00 0.00 H new ATOM 0 HB2 ALA A 20 64.401 -1.991 8.965 1.00 0.00 H new ATOM 0 HB3 ALA A 20 64.190 -0.226 8.877 1.00 0.00 H new ATOM 321 N MET A 21 61.465 0.887 8.692 1.00 0.00 N ATOM 322 CA MET A 21 60.721 2.076 9.070 1.00 0.00 C ATOM 323 C MET A 21 59.222 1.845 8.920 1.00 0.00 C ATOM 324 O MET A 21 58.440 2.279 9.759 1.00 0.00 O ATOM 325 CB MET A 21 61.161 3.261 8.210 1.00 0.00 C ATOM 326 CG MET A 21 62.557 3.717 8.648 1.00 0.00 C ATOM 327 SD MET A 21 62.899 5.358 7.966 1.00 0.00 S ATOM 328 CE MET A 21 62.213 6.320 9.337 1.00 0.00 C ATOM 0 H MET A 21 61.919 0.942 7.780 1.00 0.00 H new ATOM 0 HA MET A 21 60.930 2.298 10.117 1.00 0.00 H new ATOM 0 HB2 MET A 21 61.173 2.976 7.158 1.00 0.00 H new ATOM 0 HB3 MET A 21 60.450 4.081 8.310 1.00 0.00 H new ATOM 0 HG2 MET A 21 62.617 3.744 9.736 1.00 0.00 H new ATOM 0 HG3 MET A 21 63.308 3.005 8.305 1.00 0.00 H new ATOM 0 HE1 MET A 21 62.320 7.384 9.124 1.00 0.00 H new ATOM 0 HE2 MET A 21 61.157 6.078 9.458 1.00 0.00 H new ATOM 0 HE3 MET A 21 62.748 6.078 10.255 1.00 0.00 H new ATOM 338 N LYS A 22 58.813 1.152 7.862 1.00 0.00 N ATOM 339 CA LYS A 22 57.388 0.888 7.673 1.00 0.00 C ATOM 340 C LYS A 22 56.795 0.406 8.978 1.00 0.00 C ATOM 341 O LYS A 22 55.849 0.989 9.487 1.00 0.00 O ATOM 342 CB LYS A 22 57.158 -0.172 6.598 1.00 0.00 C ATOM 343 CG LYS A 22 58.023 0.147 5.389 1.00 0.00 C ATOM 344 CD LYS A 22 57.533 1.441 4.707 1.00 0.00 C ATOM 345 CE LYS A 22 58.510 2.596 4.971 1.00 0.00 C ATOM 346 NZ LYS A 22 59.585 2.583 3.939 1.00 0.00 N ATOM 0 H LYS A 22 59.426 0.772 7.141 1.00 0.00 H new ATOM 0 HA LYS A 22 56.908 1.813 7.353 1.00 0.00 H new ATOM 0 HB2 LYS A 22 57.405 -1.160 6.986 1.00 0.00 H new ATOM 0 HB3 LYS A 22 56.106 -0.195 6.312 1.00 0.00 H new ATOM 0 HG2 LYS A 22 59.062 0.261 5.697 1.00 0.00 H new ATOM 0 HG3 LYS A 22 57.989 -0.681 4.681 1.00 0.00 H new ATOM 0 HD2 LYS A 22 57.436 1.278 3.634 1.00 0.00 H new ATOM 0 HD3 LYS A 22 56.543 1.703 5.081 1.00 0.00 H new ATOM 0 HE2 LYS A 22 57.980 3.548 4.947 1.00 0.00 H new ATOM 0 HE3 LYS A 22 58.945 2.498 5.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 60.247 3.365 4.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 60.097 1.679 3.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 59.162 2.696 2.996 1.00 0.00 H new ATOM 360 N LEU A 23 57.392 -0.640 9.533 1.00 0.00 N ATOM 361 CA LEU A 23 56.947 -1.195 10.802 1.00 0.00 C ATOM 362 C LEU A 23 56.396 -0.090 11.682 1.00 0.00 C ATOM 363 O LEU A 23 55.403 -0.262 12.385 1.00 0.00 O ATOM 364 CB LEU A 23 58.171 -1.769 11.500 1.00 0.00 C ATOM 365 CG LEU A 23 58.237 -3.288 11.373 1.00 0.00 C ATOM 366 CD1 LEU A 23 58.847 -3.678 10.021 1.00 0.00 C ATOM 367 CD2 LEU A 23 59.118 -3.807 12.504 1.00 0.00 C ATOM 0 H LEU A 23 58.190 -1.123 9.121 1.00 0.00 H new ATOM 0 HA LEU A 23 56.179 -1.949 10.630 1.00 0.00 H new ATOM 0 HB2 LEU A 23 59.072 -1.329 11.073 1.00 0.00 H new ATOM 0 HB3 LEU A 23 58.151 -1.493 12.554 1.00 0.00 H new ATOM 0 HG LEU A 23 57.237 -3.718 11.434 1.00 0.00 H new ATOM 0 HD11 LEU A 23 58.889 -4.764 9.941 1.00 0.00 H new ATOM 0 HD12 LEU A 23 58.231 -3.278 9.215 1.00 0.00 H new ATOM 0 HD13 LEU A 23 59.854 -3.269 9.945 1.00 0.00 H new ATOM 0 HD21 LEU A 23 59.187 -4.893 12.443 1.00 0.00 H new ATOM 0 HD22 LEU A 23 60.115 -3.375 12.416 1.00 0.00 H new ATOM 0 HD23 LEU A 23 58.683 -3.525 13.463 1.00 0.00 H new ATOM 379 N PHE A 24 57.078 1.034 11.630 1.00 0.00 N ATOM 380 CA PHE A 24 56.711 2.191 12.412 1.00 0.00 C ATOM 381 C PHE A 24 55.519 2.911 11.770 1.00 0.00 C ATOM 382 O PHE A 24 54.420 2.974 12.340 1.00 0.00 O ATOM 383 CB PHE A 24 57.918 3.126 12.458 1.00 0.00 C ATOM 384 CG PHE A 24 59.118 2.440 13.102 1.00 0.00 C ATOM 385 CD1 PHE A 24 59.552 1.162 12.686 1.00 0.00 C ATOM 386 CD2 PHE A 24 59.813 3.100 14.118 1.00 0.00 C ATOM 387 CE1 PHE A 24 60.666 0.572 13.294 1.00 0.00 C ATOM 388 CE2 PHE A 24 60.922 2.508 14.719 1.00 0.00 C ATOM 389 CZ PHE A 24 61.350 1.246 14.309 1.00 0.00 C ATOM 0 H PHE A 24 57.902 1.170 11.044 1.00 0.00 H new ATOM 0 HA PHE A 24 56.422 1.888 13.418 1.00 0.00 H new ATOM 0 HB2 PHE A 24 58.175 3.443 11.447 1.00 0.00 H new ATOM 0 HB3 PHE A 24 57.664 4.025 13.019 1.00 0.00 H new ATOM 0 HD1 PHE A 24 59.025 0.641 11.900 1.00 0.00 H new ATOM 0 HD2 PHE A 24 59.488 4.078 14.441 1.00 0.00 H new ATOM 0 HE1 PHE A 24 60.998 -0.406 12.978 1.00 0.00 H new ATOM 0 HE2 PHE A 24 61.451 3.028 15.504 1.00 0.00 H new ATOM 0 HZ PHE A 24 62.210 0.789 14.776 1.00 0.00 H new ATOM 399 N GLU A 25 55.730 3.417 10.560 1.00 0.00 N ATOM 400 CA GLU A 25 54.660 4.098 9.838 1.00 0.00 C ATOM 401 C GLU A 25 53.528 3.118 9.609 1.00 0.00 C ATOM 402 O GLU A 25 52.364 3.497 9.490 1.00 0.00 O ATOM 403 CB GLU A 25 55.171 4.631 8.497 1.00 0.00 C ATOM 404 CG GLU A 25 56.201 5.735 8.743 1.00 0.00 C ATOM 405 CD GLU A 25 57.510 5.127 9.235 1.00 0.00 C ATOM 406 OE1 GLU A 25 58.075 4.322 8.514 1.00 0.00 O ATOM 407 OE2 GLU A 25 57.928 5.475 10.327 1.00 0.00 O ATOM 0 H GLU A 25 56.620 3.370 10.063 1.00 0.00 H new ATOM 0 HA GLU A 25 54.307 4.944 10.427 1.00 0.00 H new ATOM 0 HB2 GLU A 25 55.620 3.823 7.920 1.00 0.00 H new ATOM 0 HB3 GLU A 25 54.340 5.019 7.908 1.00 0.00 H new ATOM 0 HG2 GLU A 25 56.373 6.294 7.823 1.00 0.00 H new ATOM 0 HG3 GLU A 25 55.819 6.442 9.480 1.00 0.00 H new ATOM 414 N LEU A 26 53.894 1.848 9.581 1.00 0.00 N ATOM 415 CA LEU A 26 52.935 0.783 9.407 1.00 0.00 C ATOM 416 C LEU A 26 52.283 0.508 10.747 1.00 0.00 C ATOM 417 O LEU A 26 51.127 0.100 10.815 1.00 0.00 O ATOM 418 CB LEU A 26 53.644 -0.456 8.844 1.00 0.00 C ATOM 419 CG LEU A 26 52.834 -1.714 9.113 1.00 0.00 C ATOM 420 CD1 LEU A 26 52.952 -2.061 10.604 1.00 0.00 C ATOM 421 CD2 LEU A 26 51.361 -1.499 8.693 1.00 0.00 C ATOM 0 H LEU A 26 54.859 1.533 9.678 1.00 0.00 H new ATOM 0 HA LEU A 26 52.158 1.063 8.695 1.00 0.00 H new ATOM 0 HB2 LEU A 26 53.794 -0.338 7.771 1.00 0.00 H new ATOM 0 HB3 LEU A 26 54.632 -0.551 9.295 1.00 0.00 H new ATOM 0 HG LEU A 26 53.219 -2.547 8.525 1.00 0.00 H new ATOM 0 HD11 LEU A 26 52.376 -2.962 10.815 1.00 0.00 H new ATOM 0 HD12 LEU A 26 53.999 -2.232 10.856 1.00 0.00 H new ATOM 0 HD13 LEU A 26 52.565 -1.235 11.201 1.00 0.00 H new ATOM 0 HD21 LEU A 26 50.790 -2.406 8.890 1.00 0.00 H new ATOM 0 HD22 LEU A 26 50.937 -0.673 9.263 1.00 0.00 H new ATOM 0 HD23 LEU A 26 51.316 -1.266 7.629 1.00 0.00 H new ATOM 433 N MET A 27 53.018 0.774 11.823 1.00 0.00 N ATOM 434 CA MET A 27 52.460 0.588 13.151 1.00 0.00 C ATOM 435 C MET A 27 51.147 1.337 13.175 1.00 0.00 C ATOM 436 O MET A 27 50.180 0.926 13.815 1.00 0.00 O ATOM 437 CB MET A 27 53.424 1.106 14.238 1.00 0.00 C ATOM 438 CG MET A 27 53.042 2.523 14.689 1.00 0.00 C ATOM 439 SD MET A 27 51.642 2.438 15.835 1.00 0.00 S ATOM 440 CE MET A 27 52.081 3.879 16.838 1.00 0.00 C ATOM 0 H MET A 27 53.980 1.112 11.801 1.00 0.00 H new ATOM 0 HA MET A 27 52.305 -0.470 13.365 1.00 0.00 H new ATOM 0 HB2 MET A 27 53.407 0.432 15.094 1.00 0.00 H new ATOM 0 HB3 MET A 27 54.444 1.106 13.853 1.00 0.00 H new ATOM 0 HG2 MET A 27 53.892 3.003 15.173 1.00 0.00 H new ATOM 0 HG3 MET A 27 52.781 3.133 13.824 1.00 0.00 H new ATOM 0 HE1 MET A 27 51.337 4.016 17.623 1.00 0.00 H new ATOM 0 HE2 MET A 27 53.061 3.723 17.290 1.00 0.00 H new ATOM 0 HE3 MET A 27 52.110 4.767 16.206 1.00 0.00 H new ATOM 450 N GLN A 28 51.123 2.431 12.417 1.00 0.00 N ATOM 451 CA GLN A 28 49.912 3.227 12.298 1.00 0.00 C ATOM 452 C GLN A 28 48.927 2.481 11.404 1.00 0.00 C ATOM 453 O GLN A 28 47.730 2.768 11.395 1.00 0.00 O ATOM 454 CB GLN A 28 50.229 4.599 11.699 1.00 0.00 C ATOM 455 CG GLN A 28 51.222 5.335 12.602 1.00 0.00 C ATOM 456 CD GLN A 28 51.223 6.824 12.275 1.00 0.00 C ATOM 457 OE1 GLN A 28 51.289 7.203 11.105 1.00 0.00 O ATOM 458 NE2 GLN A 28 51.152 7.696 13.243 1.00 0.00 N ATOM 0 H GLN A 28 51.919 2.780 11.884 1.00 0.00 H new ATOM 0 HA GLN A 28 49.477 3.381 13.286 1.00 0.00 H new ATOM 0 HB2 GLN A 28 50.648 4.483 10.699 1.00 0.00 H new ATOM 0 HB3 GLN A 28 49.314 5.182 11.596 1.00 0.00 H new ATOM 0 HG2 GLN A 28 50.955 5.185 13.648 1.00 0.00 H new ATOM 0 HG3 GLN A 28 52.222 4.924 12.466 1.00 0.00 H new ATOM 0 HE21 GLN A 28 51.097 7.380 14.211 1.00 0.00 H new ATOM 0 HE22 GLN A 28 51.151 8.694 13.031 1.00 0.00 H new ATOM 467 N GLY A 29 49.454 1.502 10.665 1.00 0.00 N ATOM 468 CA GLY A 29 48.634 0.681 9.772 1.00 0.00 C ATOM 469 C GLY A 29 48.118 -0.548 10.513 1.00 0.00 C ATOM 470 O GLY A 29 46.915 -0.807 10.548 1.00 0.00 O ATOM 0 H GLY A 29 50.445 1.259 10.668 1.00 0.00 H new ATOM 0 HA2 GLY A 29 47.795 1.267 9.396 1.00 0.00 H new ATOM 0 HA3 GLY A 29 49.222 0.373 8.907 1.00 0.00 H new ATOM 474 N PHE A 30 49.037 -1.279 11.138 1.00 0.00 N ATOM 475 CA PHE A 30 48.671 -2.458 11.921 1.00 0.00 C ATOM 476 C PHE A 30 48.793 -2.109 13.396 1.00 0.00 C ATOM 477 O PHE A 30 49.689 -1.362 13.787 1.00 0.00 O ATOM 478 CB PHE A 30 49.598 -3.651 11.655 1.00 0.00 C ATOM 479 CG PHE A 30 49.684 -4.015 10.186 1.00 0.00 C ATOM 480 CD1 PHE A 30 48.540 -4.170 9.394 1.00 0.00 C ATOM 481 CD2 PHE A 30 50.939 -4.242 9.632 1.00 0.00 C ATOM 482 CE1 PHE A 30 48.675 -4.550 8.048 1.00 0.00 C ATOM 483 CE2 PHE A 30 51.081 -4.616 8.301 1.00 0.00 C ATOM 484 CZ PHE A 30 49.952 -4.773 7.502 1.00 0.00 C ATOM 0 H PHE A 30 50.037 -1.078 11.119 1.00 0.00 H new ATOM 0 HA PHE A 30 47.656 -2.738 11.638 1.00 0.00 H new ATOM 0 HB2 PHE A 30 50.596 -3.419 12.026 1.00 0.00 H new ATOM 0 HB3 PHE A 30 49.242 -4.514 12.218 1.00 0.00 H new ATOM 0 HD1 PHE A 30 47.560 -3.999 9.815 1.00 0.00 H new ATOM 0 HD2 PHE A 30 51.819 -4.126 10.247 1.00 0.00 H new ATOM 0 HE1 PHE A 30 47.797 -4.671 7.431 1.00 0.00 H new ATOM 0 HE2 PHE A 30 52.065 -4.784 7.888 1.00 0.00 H new ATOM 0 HZ PHE A 30 50.056 -5.065 6.467 1.00 0.00 H new ATOM 494 N ASP A 31 47.927 -2.676 14.221 1.00 0.00 N ATOM 495 CA ASP A 31 47.997 -2.438 15.646 1.00 0.00 C ATOM 496 C ASP A 31 48.703 -3.624 16.244 1.00 0.00 C ATOM 497 O ASP A 31 48.124 -4.701 16.372 1.00 0.00 O ATOM 498 CB ASP A 31 46.598 -2.285 16.240 1.00 0.00 C ATOM 499 CG ASP A 31 46.693 -1.998 17.735 1.00 0.00 C ATOM 500 OD1 ASP A 31 47.732 -2.281 18.308 1.00 0.00 O ATOM 501 OD2 ASP A 31 45.725 -1.497 18.284 1.00 0.00 O ATOM 0 H ASP A 31 47.175 -3.299 13.927 1.00 0.00 H new ATOM 0 HA ASP A 31 48.533 -1.514 15.861 1.00 0.00 H new ATOM 0 HB2 ASP A 31 46.068 -1.475 15.739 1.00 0.00 H new ATOM 0 HB3 ASP A 31 46.021 -3.195 16.072 1.00 0.00 H new ATOM 506 N ALA A 32 49.973 -3.449 16.554 1.00 0.00 N ATOM 507 CA ALA A 32 50.736 -4.535 17.066 1.00 0.00 C ATOM 508 C ALA A 32 52.077 -4.044 17.538 1.00 0.00 C ATOM 509 O ALA A 32 52.591 -3.027 17.071 1.00 0.00 O ATOM 510 CB ALA A 32 50.909 -5.571 15.973 1.00 0.00 C ATOM 0 H ALA A 32 50.480 -2.570 16.456 1.00 0.00 H new ATOM 0 HA ALA A 32 50.218 -4.984 17.913 1.00 0.00 H new ATOM 0 HB1 ALA A 32 51.493 -6.409 16.355 1.00 0.00 H new ATOM 0 HB2 ALA A 32 49.930 -5.927 15.651 1.00 0.00 H new ATOM 0 HB3 ALA A 32 51.428 -5.123 15.126 1.00 0.00 H new ATOM 516 N GLU A 33 52.624 -4.767 18.479 1.00 0.00 N ATOM 517 CA GLU A 33 53.892 -4.425 19.050 1.00 0.00 C ATOM 518 C GLU A 33 54.952 -5.367 18.539 1.00 0.00 C ATOM 519 O GLU A 33 55.221 -6.418 19.119 1.00 0.00 O ATOM 520 CB GLU A 33 53.750 -4.519 20.544 1.00 0.00 C ATOM 521 CG GLU A 33 54.373 -3.289 21.182 1.00 0.00 C ATOM 522 CD GLU A 33 54.422 -3.446 22.698 1.00 0.00 C ATOM 523 OE1 GLU A 33 53.640 -2.792 23.368 1.00 0.00 O ATOM 524 OE2 GLU A 33 55.241 -4.219 23.167 1.00 0.00 O ATOM 0 H GLU A 33 52.200 -5.609 18.869 1.00 0.00 H new ATOM 0 HA GLU A 33 54.194 -3.415 18.771 1.00 0.00 H new ATOM 0 HB2 GLU A 33 52.697 -4.592 20.818 1.00 0.00 H new ATOM 0 HB3 GLU A 33 54.238 -5.421 20.912 1.00 0.00 H new ATOM 0 HG2 GLU A 33 55.380 -3.140 20.792 1.00 0.00 H new ATOM 0 HG3 GLU A 33 53.795 -2.403 20.920 1.00 0.00 H new ATOM 531 N VAL A 34 55.530 -4.967 17.436 1.00 0.00 N ATOM 532 CA VAL A 34 56.561 -5.760 16.787 1.00 0.00 C ATOM 533 C VAL A 34 57.891 -5.583 17.498 1.00 0.00 C ATOM 534 O VAL A 34 58.481 -4.504 17.462 1.00 0.00 O ATOM 535 CB VAL A 34 56.742 -5.331 15.325 1.00 0.00 C ATOM 536 CG1 VAL A 34 57.402 -6.468 14.535 1.00 0.00 C ATOM 537 CG2 VAL A 34 55.394 -4.969 14.699 1.00 0.00 C ATOM 0 H VAL A 34 55.308 -4.093 16.960 1.00 0.00 H new ATOM 0 HA VAL A 34 56.246 -6.803 16.829 1.00 0.00 H new ATOM 0 HB VAL A 34 57.382 -4.449 15.293 1.00 0.00 H new ATOM 0 HG11 VAL A 34 57.530 -6.163 13.497 1.00 0.00 H new ATOM 0 HG12 VAL A 34 58.376 -6.695 14.969 1.00 0.00 H new ATOM 0 HG13 VAL A 34 56.770 -7.355 14.577 1.00 0.00 H new ATOM 0 HG21 VAL A 34 55.544 -4.667 13.662 1.00 0.00 H new ATOM 0 HG22 VAL A 34 54.733 -5.835 14.733 1.00 0.00 H new ATOM 0 HG23 VAL A 34 54.944 -4.146 15.255 1.00 0.00 H new ATOM 547 N LEU A 35 58.372 -6.643 18.135 1.00 0.00 N ATOM 548 CA LEU A 35 59.645 -6.565 18.830 1.00 0.00 C ATOM 549 C LEU A 35 60.714 -7.311 18.034 1.00 0.00 C ATOM 550 O LEU A 35 60.580 -8.499 17.743 1.00 0.00 O ATOM 551 CB LEU A 35 59.490 -7.151 20.238 1.00 0.00 C ATOM 552 CG LEU A 35 60.847 -7.312 20.946 1.00 0.00 C ATOM 553 CD1 LEU A 35 61.602 -8.537 20.406 1.00 0.00 C ATOM 554 CD2 LEU A 35 61.694 -6.051 20.752 1.00 0.00 C ATOM 0 H LEU A 35 57.908 -7.550 18.184 1.00 0.00 H new ATOM 0 HA LEU A 35 59.957 -5.525 18.921 1.00 0.00 H new ATOM 0 HB2 LEU A 35 58.845 -6.503 20.832 1.00 0.00 H new ATOM 0 HB3 LEU A 35 58.996 -8.121 20.175 1.00 0.00 H new ATOM 0 HG LEU A 35 60.663 -7.461 22.010 1.00 0.00 H new ATOM 0 HD11 LEU A 35 62.558 -8.631 20.921 1.00 0.00 H new ATOM 0 HD12 LEU A 35 61.008 -9.435 20.577 1.00 0.00 H new ATOM 0 HD13 LEU A 35 61.776 -8.415 19.337 1.00 0.00 H new ATOM 0 HD21 LEU A 35 62.652 -6.175 21.257 1.00 0.00 H new ATOM 0 HD22 LEU A 35 61.863 -5.886 19.688 1.00 0.00 H new ATOM 0 HD23 LEU A 35 61.170 -5.193 21.173 1.00 0.00 H new ATOM 566 N LEU A 36 61.758 -6.582 17.662 1.00 0.00 N ATOM 567 CA LEU A 36 62.854 -7.132 16.867 1.00 0.00 C ATOM 568 C LEU A 36 64.113 -7.360 17.700 1.00 0.00 C ATOM 569 O LEU A 36 64.554 -6.468 18.413 1.00 0.00 O ATOM 570 CB LEU A 36 63.195 -6.132 15.771 1.00 0.00 C ATOM 571 CG LEU A 36 62.206 -6.270 14.617 1.00 0.00 C ATOM 572 CD1 LEU A 36 60.782 -6.031 15.127 1.00 0.00 C ATOM 573 CD2 LEU A 36 62.540 -5.229 13.558 1.00 0.00 C ATOM 0 H LEU A 36 61.871 -5.597 17.900 1.00 0.00 H new ATOM 0 HA LEU A 36 62.530 -8.092 16.466 1.00 0.00 H new ATOM 0 HB2 LEU A 36 63.164 -5.118 16.169 1.00 0.00 H new ATOM 0 HB3 LEU A 36 64.211 -6.303 15.414 1.00 0.00 H new ATOM 0 HG LEU A 36 62.273 -7.272 14.193 1.00 0.00 H new ATOM 0 HD11 LEU A 36 60.078 -6.130 14.301 1.00 0.00 H new ATOM 0 HD12 LEU A 36 60.543 -6.765 15.897 1.00 0.00 H new ATOM 0 HD13 LEU A 36 60.709 -5.028 15.547 1.00 0.00 H new ATOM 0 HD21 LEU A 36 61.840 -5.317 12.727 1.00 0.00 H new ATOM 0 HD22 LEU A 36 62.465 -4.232 13.992 1.00 0.00 H new ATOM 0 HD23 LEU A 36 63.555 -5.391 13.196 1.00 0.00 H new ATOM 585 N ARG A 37 64.709 -8.546 17.581 1.00 0.00 N ATOM 586 CA ARG A 37 65.926 -8.847 18.297 1.00 0.00 C ATOM 587 C ARG A 37 66.797 -9.798 17.506 1.00 0.00 C ATOM 588 O ARG A 37 66.322 -10.506 16.628 1.00 0.00 O ATOM 589 CB ARG A 37 65.617 -9.479 19.641 1.00 0.00 C ATOM 590 CG ARG A 37 65.006 -10.871 19.443 1.00 0.00 C ATOM 591 CD ARG A 37 64.008 -11.180 20.564 1.00 0.00 C ATOM 592 NE ARG A 37 64.411 -10.536 21.818 1.00 0.00 N ATOM 593 CZ ARG A 37 65.651 -10.625 22.295 1.00 0.00 C ATOM 594 NH1 ARG A 37 65.978 -9.976 23.379 1.00 0.00 N ATOM 595 NH2 ARG A 37 66.533 -11.382 21.702 1.00 0.00 N ATOM 0 H ARG A 37 64.362 -9.305 16.995 1.00 0.00 H new ATOM 0 HA ARG A 37 66.456 -7.906 18.446 1.00 0.00 H new ATOM 0 HB2 ARG A 37 66.529 -9.555 20.234 1.00 0.00 H new ATOM 0 HB3 ARG A 37 64.926 -8.846 20.198 1.00 0.00 H new ATOM 0 HG2 ARG A 37 64.504 -10.921 18.477 1.00 0.00 H new ATOM 0 HG3 ARG A 37 65.795 -11.623 19.432 1.00 0.00 H new ATOM 0 HD2 ARG A 37 63.015 -10.835 20.277 1.00 0.00 H new ATOM 0 HD3 ARG A 37 63.941 -12.258 20.710 1.00 0.00 H new ATOM 0 HE ARG A 37 63.718 -10.002 22.343 1.00 0.00 H new ATOM 0 HH11 ARG A 37 65.284 -9.402 23.859 1.00 0.00 H new ATOM 0 HH12 ARG A 37 66.927 -10.043 23.746 1.00 0.00 H new ATOM 0 HH21 ARG A 37 66.274 -11.910 20.868 1.00 0.00 H new ATOM 0 HH22 ARG A 37 67.481 -11.446 22.072 1.00 0.00 H new ATOM 609 N ASN A 38 68.069 -9.826 17.855 1.00 0.00 N ATOM 610 CA ASN A 38 69.010 -10.719 17.196 1.00 0.00 C ATOM 611 C ASN A 38 69.246 -11.946 18.050 1.00 0.00 C ATOM 612 O ASN A 38 69.458 -11.825 19.264 1.00 0.00 O ATOM 613 CB ASN A 38 70.366 -10.063 17.016 1.00 0.00 C ATOM 614 CG ASN A 38 70.322 -8.911 16.044 1.00 0.00 C ATOM 615 OD1 ASN A 38 69.524 -8.897 15.110 1.00 0.00 O ATOM 616 ND2 ASN A 38 71.162 -7.937 16.216 1.00 0.00 N ATOM 0 H ASN A 38 68.476 -9.244 18.588 1.00 0.00 H new ATOM 0 HA ASN A 38 68.576 -10.972 16.229 1.00 0.00 H new ATOM 0 HB2 ASN A 38 70.725 -9.707 17.981 1.00 0.00 H new ATOM 0 HB3 ASN A 38 71.082 -10.805 16.663 1.00 0.00 H new ATOM 0 HD21 ASN A 38 71.165 -7.147 15.571 1.00 0.00 H new ATOM 0 HD22 ASN A 38 71.819 -7.962 16.996 1.00 0.00 H new ATOM 623 N ASP A 39 69.279 -13.112 17.411 1.00 0.00 N ATOM 624 CA ASP A 39 69.556 -14.345 18.134 1.00 0.00 C ATOM 625 C ASP A 39 70.849 -14.163 18.916 1.00 0.00 C ATOM 626 O ASP A 39 71.228 -14.997 19.739 1.00 0.00 O ATOM 627 CB ASP A 39 69.694 -15.515 17.157 1.00 0.00 C ATOM 628 CG ASP A 39 70.216 -16.749 17.887 1.00 0.00 C ATOM 629 OD1 ASP A 39 71.387 -17.054 17.731 1.00 0.00 O ATOM 630 OD2 ASP A 39 69.437 -17.370 18.591 1.00 0.00 O ATOM 0 H ASP A 39 69.120 -13.227 16.410 1.00 0.00 H new ATOM 0 HA ASP A 39 68.734 -14.566 18.815 1.00 0.00 H new ATOM 0 HB2 ASP A 39 68.728 -15.734 16.701 1.00 0.00 H new ATOM 0 HB3 ASP A 39 70.374 -15.246 16.349 1.00 0.00 H new ATOM 635 N GLU A 40 71.506 -13.042 18.642 1.00 0.00 N ATOM 636 CA GLU A 40 72.753 -12.688 19.296 1.00 0.00 C ATOM 637 C GLU A 40 72.482 -12.216 20.711 1.00 0.00 C ATOM 638 O GLU A 40 73.369 -12.214 21.565 1.00 0.00 O ATOM 639 CB GLU A 40 73.393 -11.535 18.528 1.00 0.00 C ATOM 640 CG GLU A 40 73.906 -12.024 17.169 1.00 0.00 C ATOM 641 CD GLU A 40 75.415 -12.244 17.218 1.00 0.00 C ATOM 642 OE1 GLU A 40 75.847 -13.330 16.869 1.00 0.00 O ATOM 643 OE2 GLU A 40 76.116 -11.323 17.604 1.00 0.00 O ATOM 0 H GLU A 40 71.186 -12.355 17.959 1.00 0.00 H new ATOM 0 HA GLU A 40 73.408 -13.559 19.318 1.00 0.00 H new ATOM 0 HB2 GLU A 40 72.666 -10.736 18.384 1.00 0.00 H new ATOM 0 HB3 GLU A 40 74.216 -11.116 19.106 1.00 0.00 H new ATOM 0 HG2 GLU A 40 73.405 -12.953 16.897 1.00 0.00 H new ATOM 0 HG3 GLU A 40 73.663 -11.293 16.397 1.00 0.00 H new ATOM 650 N GLY A 41 71.250 -11.788 20.935 1.00 0.00 N ATOM 651 CA GLY A 41 70.848 -11.274 22.231 1.00 0.00 C ATOM 652 C GLY A 41 70.511 -9.798 22.103 1.00 0.00 C ATOM 653 O GLY A 41 70.154 -9.145 23.083 1.00 0.00 O ATOM 0 H GLY A 41 70.510 -11.787 20.233 1.00 0.00 H new ATOM 0 HA2 GLY A 41 69.984 -11.825 22.602 1.00 0.00 H new ATOM 0 HA3 GLY A 41 71.650 -11.414 22.955 1.00 0.00 H new ATOM 657 N THR A 42 70.613 -9.277 20.877 1.00 0.00 N ATOM 658 CA THR A 42 70.293 -7.865 20.647 1.00 0.00 C ATOM 659 C THR A 42 68.780 -7.709 20.553 1.00 0.00 C ATOM 660 O THR A 42 68.111 -8.544 19.957 1.00 0.00 O ATOM 661 CB THR A 42 70.984 -7.332 19.372 1.00 0.00 C ATOM 662 OG1 THR A 42 72.005 -6.419 19.747 1.00 0.00 O ATOM 663 CG2 THR A 42 69.975 -6.614 18.464 1.00 0.00 C ATOM 0 H THR A 42 70.906 -9.795 20.049 1.00 0.00 H new ATOM 0 HA THR A 42 70.668 -7.274 21.483 1.00 0.00 H new ATOM 0 HB THR A 42 71.408 -8.174 18.824 1.00 0.00 H new ATOM 0 HG1 THR A 42 72.450 -6.077 18.943 1.00 0.00 H new ATOM 0 HG21 THR A 42 70.484 -6.247 17.573 1.00 0.00 H new ATOM 0 HG22 THR A 42 69.189 -7.310 18.172 1.00 0.00 H new ATOM 0 HG23 THR A 42 69.535 -5.774 19.002 1.00 0.00 H new ATOM 671 N GLU A 43 68.250 -6.645 21.152 1.00 0.00 N ATOM 672 CA GLU A 43 66.804 -6.407 21.141 1.00 0.00 C ATOM 673 C GLU A 43 66.473 -5.036 20.565 1.00 0.00 C ATOM 674 O GLU A 43 67.140 -4.047 20.871 1.00 0.00 O ATOM 675 CB GLU A 43 66.252 -6.508 22.565 1.00 0.00 C ATOM 676 CG GLU A 43 67.175 -5.759 23.528 1.00 0.00 C ATOM 677 CD GLU A 43 66.496 -5.604 24.884 1.00 0.00 C ATOM 678 OE1 GLU A 43 65.846 -6.545 25.311 1.00 0.00 O ATOM 679 OE2 GLU A 43 66.634 -4.547 25.477 1.00 0.00 O ATOM 0 H GLU A 43 68.793 -5.938 21.648 1.00 0.00 H new ATOM 0 HA GLU A 43 66.342 -7.165 20.509 1.00 0.00 H new ATOM 0 HB2 GLU A 43 65.247 -6.087 22.607 1.00 0.00 H new ATOM 0 HB3 GLU A 43 66.172 -7.554 22.861 1.00 0.00 H new ATOM 0 HG2 GLU A 43 68.114 -6.302 23.642 1.00 0.00 H new ATOM 0 HG3 GLU A 43 67.421 -4.778 23.121 1.00 0.00 H new ATOM 686 N ALA A 44 65.444 -4.984 19.717 1.00 0.00 N ATOM 687 CA ALA A 44 65.045 -3.730 19.096 1.00 0.00 C ATOM 688 C ALA A 44 63.529 -3.571 19.057 1.00 0.00 C ATOM 689 O ALA A 44 62.823 -4.401 18.485 1.00 0.00 O ATOM 690 CB ALA A 44 65.565 -3.691 17.664 1.00 0.00 C ATOM 0 H ALA A 44 64.879 -5.790 19.449 1.00 0.00 H new ATOM 0 HA ALA A 44 65.464 -2.920 19.692 1.00 0.00 H new ATOM 0 HB1 ALA A 44 65.268 -2.753 17.195 1.00 0.00 H new ATOM 0 HB2 ALA A 44 66.652 -3.766 17.670 1.00 0.00 H new ATOM 0 HB3 ALA A 44 65.147 -4.526 17.102 1.00 0.00 H new ATOM 696 N GLU A 45 63.039 -2.474 19.622 1.00 0.00 N ATOM 697 CA GLU A 45 61.610 -2.196 19.600 1.00 0.00 C ATOM 698 C GLU A 45 61.256 -1.534 18.273 1.00 0.00 C ATOM 699 O GLU A 45 61.729 -0.438 17.972 1.00 0.00 O ATOM 700 CB GLU A 45 61.234 -1.271 20.765 1.00 0.00 C ATOM 701 CG GLU A 45 60.293 -1.999 21.729 1.00 0.00 C ATOM 702 CD GLU A 45 60.051 -1.145 22.969 1.00 0.00 C ATOM 703 OE1 GLU A 45 60.982 -0.977 23.739 1.00 0.00 O ATOM 704 OE2 GLU A 45 58.939 -0.671 23.130 1.00 0.00 O ATOM 0 H GLU A 45 63.604 -1.770 20.096 1.00 0.00 H new ATOM 0 HA GLU A 45 61.055 -3.128 19.706 1.00 0.00 H new ATOM 0 HB2 GLU A 45 62.133 -0.953 21.292 1.00 0.00 H new ATOM 0 HB3 GLU A 45 60.752 -0.370 20.384 1.00 0.00 H new ATOM 0 HG2 GLU A 45 59.346 -2.212 21.234 1.00 0.00 H new ATOM 0 HG3 GLU A 45 60.725 -2.958 22.017 1.00 0.00 H new ATOM 711 N ALA A 46 60.444 -2.215 17.475 1.00 0.00 N ATOM 712 CA ALA A 46 60.049 -1.699 16.169 1.00 0.00 C ATOM 713 C ALA A 46 59.557 -0.252 16.233 1.00 0.00 C ATOM 714 O ALA A 46 59.105 0.293 15.228 1.00 0.00 O ATOM 715 CB ALA A 46 58.940 -2.565 15.602 1.00 0.00 C ATOM 0 H ALA A 46 60.046 -3.125 17.708 1.00 0.00 H new ATOM 0 HA ALA A 46 60.933 -1.723 15.532 1.00 0.00 H new ATOM 0 HB1 ALA A 46 58.642 -2.182 14.626 1.00 0.00 H new ATOM 0 HB2 ALA A 46 59.296 -3.590 15.497 1.00 0.00 H new ATOM 0 HB3 ALA A 46 58.083 -2.546 16.276 1.00 0.00 H new ATOM 721 N ASN A 47 59.632 0.369 17.406 1.00 0.00 N ATOM 722 CA ASN A 47 59.181 1.751 17.553 1.00 0.00 C ATOM 723 C ASN A 47 60.371 2.676 17.806 1.00 0.00 C ATOM 724 O ASN A 47 60.206 3.832 18.195 1.00 0.00 O ATOM 725 CB ASN A 47 58.173 1.847 18.700 1.00 0.00 C ATOM 726 CG ASN A 47 57.870 3.307 19.022 1.00 0.00 C ATOM 727 OD1 ASN A 47 57.148 3.971 18.278 1.00 0.00 O ATOM 728 ND2 ASN A 47 58.382 3.849 20.093 1.00 0.00 N ATOM 0 H ASN A 47 59.996 -0.055 18.259 1.00 0.00 H new ATOM 0 HA ASN A 47 58.695 2.066 16.629 1.00 0.00 H new ATOM 0 HB2 ASN A 47 57.253 1.330 18.428 1.00 0.00 H new ATOM 0 HB3 ASN A 47 58.570 1.348 19.584 1.00 0.00 H new ATOM 0 HD21 ASN A 47 58.184 4.825 20.315 1.00 0.00 H new ATOM 0 HD22 ASN A 47 58.980 3.297 20.708 1.00 0.00 H new ATOM 735 N SER A 48 61.574 2.159 17.562 1.00 0.00 N ATOM 736 CA SER A 48 62.791 2.944 17.747 1.00 0.00 C ATOM 737 C SER A 48 63.752 2.720 16.576 1.00 0.00 C ATOM 738 O SER A 48 63.964 1.587 16.146 1.00 0.00 O ATOM 739 CB SER A 48 63.467 2.546 19.062 1.00 0.00 C ATOM 740 OG SER A 48 63.232 3.557 20.034 1.00 0.00 O ATOM 0 H SER A 48 61.731 1.205 17.237 1.00 0.00 H new ATOM 0 HA SER A 48 62.527 4.001 17.784 1.00 0.00 H new ATOM 0 HB2 SER A 48 63.075 1.591 19.412 1.00 0.00 H new ATOM 0 HB3 SER A 48 64.538 2.414 18.909 1.00 0.00 H new ATOM 0 HG SER A 48 63.662 3.305 20.878 1.00 0.00 H new ATOM 746 N VAL A 49 64.329 3.804 16.064 1.00 0.00 N ATOM 747 CA VAL A 49 65.265 3.701 14.947 1.00 0.00 C ATOM 748 C VAL A 49 66.563 3.067 15.417 1.00 0.00 C ATOM 749 O VAL A 49 67.175 2.277 14.697 1.00 0.00 O ATOM 750 CB VAL A 49 65.541 5.084 14.361 1.00 0.00 C ATOM 751 CG1 VAL A 49 66.170 4.938 12.973 1.00 0.00 C ATOM 752 CG2 VAL A 49 64.221 5.850 14.245 1.00 0.00 C ATOM 0 H VAL A 49 64.168 4.754 16.400 1.00 0.00 H new ATOM 0 HA VAL A 49 64.822 3.074 14.173 1.00 0.00 H new ATOM 0 HB VAL A 49 66.227 5.627 15.011 1.00 0.00 H new ATOM 0 HG11 VAL A 49 66.366 5.926 12.557 1.00 0.00 H new ATOM 0 HG12 VAL A 49 67.106 4.386 13.054 1.00 0.00 H new ATOM 0 HG13 VAL A 49 65.486 4.398 12.319 1.00 0.00 H new ATOM 0 HG21 VAL A 49 64.410 6.839 13.827 1.00 0.00 H new ATOM 0 HG22 VAL A 49 63.540 5.304 13.592 1.00 0.00 H new ATOM 0 HG23 VAL A 49 63.772 5.953 15.233 1.00 0.00 H new ATOM 762 N ILE A 50 66.962 3.384 16.643 1.00 0.00 N ATOM 763 CA ILE A 50 68.151 2.813 17.210 1.00 0.00 C ATOM 764 C ILE A 50 68.004 1.306 17.134 1.00 0.00 C ATOM 765 O ILE A 50 68.927 0.581 16.766 1.00 0.00 O ATOM 766 CB ILE A 50 68.250 3.308 18.657 1.00 0.00 C ATOM 767 CG1 ILE A 50 69.606 3.973 18.894 1.00 0.00 C ATOM 768 CG2 ILE A 50 68.041 2.166 19.642 1.00 0.00 C ATOM 769 CD1 ILE A 50 70.722 2.923 18.857 1.00 0.00 C ATOM 0 H ILE A 50 66.470 4.036 17.255 1.00 0.00 H new ATOM 0 HA ILE A 50 69.060 3.102 16.683 1.00 0.00 H new ATOM 0 HB ILE A 50 67.461 4.042 18.821 1.00 0.00 H new ATOM 0 HG12 ILE A 50 69.785 4.732 18.133 1.00 0.00 H new ATOM 0 HG13 ILE A 50 69.607 4.482 19.858 1.00 0.00 H new ATOM 0 HG21 ILE A 50 68.117 2.546 20.661 1.00 0.00 H new ATOM 0 HG22 ILE A 50 67.054 1.730 19.490 1.00 0.00 H new ATOM 0 HG23 ILE A 50 68.803 1.403 19.482 1.00 0.00 H new ATOM 0 HD11 ILE A 50 71.683 3.408 19.027 1.00 0.00 H new ATOM 0 HD12 ILE A 50 70.548 2.179 19.635 1.00 0.00 H new ATOM 0 HD13 ILE A 50 70.729 2.434 17.883 1.00 0.00 H new ATOM 781 N ALA A 51 66.799 0.866 17.458 1.00 0.00 N ATOM 782 CA ALA A 51 66.447 -0.531 17.409 1.00 0.00 C ATOM 783 C ALA A 51 66.853 -1.102 16.056 1.00 0.00 C ATOM 784 O ALA A 51 67.615 -2.064 15.971 1.00 0.00 O ATOM 785 CB ALA A 51 64.929 -0.649 17.609 1.00 0.00 C ATOM 0 H ALA A 51 66.040 1.475 17.763 1.00 0.00 H new ATOM 0 HA ALA A 51 66.963 -1.090 18.190 1.00 0.00 H new ATOM 0 HB1 ALA A 51 64.638 -1.699 17.576 1.00 0.00 H new ATOM 0 HB2 ALA A 51 64.656 -0.227 18.576 1.00 0.00 H new ATOM 0 HB3 ALA A 51 64.414 -0.105 16.817 1.00 0.00 H new ATOM 791 N LEU A 52 66.346 -0.478 15.002 1.00 0.00 N ATOM 792 CA LEU A 52 66.651 -0.891 13.647 1.00 0.00 C ATOM 793 C LEU A 52 68.147 -0.773 13.381 1.00 0.00 C ATOM 794 O LEU A 52 68.765 -1.683 12.829 1.00 0.00 O ATOM 795 CB LEU A 52 65.877 -0.001 12.674 1.00 0.00 C ATOM 796 CG LEU A 52 64.374 -0.083 12.976 1.00 0.00 C ATOM 797 CD1 LEU A 52 63.640 1.030 12.219 1.00 0.00 C ATOM 798 CD2 LEU A 52 63.816 -1.451 12.546 1.00 0.00 C ATOM 0 H LEU A 52 65.717 0.322 15.065 1.00 0.00 H new ATOM 0 HA LEU A 52 66.359 -1.932 13.510 1.00 0.00 H new ATOM 0 HB2 LEU A 52 66.219 1.030 12.760 1.00 0.00 H new ATOM 0 HB3 LEU A 52 66.069 -0.316 11.648 1.00 0.00 H new ATOM 0 HG LEU A 52 64.222 0.038 14.048 1.00 0.00 H new ATOM 0 HD11 LEU A 52 62.573 0.973 12.433 1.00 0.00 H new ATOM 0 HD12 LEU A 52 64.022 2.000 12.537 1.00 0.00 H new ATOM 0 HD13 LEU A 52 63.802 0.910 11.148 1.00 0.00 H new ATOM 0 HD21 LEU A 52 62.749 -1.494 12.766 1.00 0.00 H new ATOM 0 HD22 LEU A 52 63.971 -1.587 11.476 1.00 0.00 H new ATOM 0 HD23 LEU A 52 64.332 -2.242 13.091 1.00 0.00 H new ATOM 810 N LEU A 53 68.721 0.352 13.786 1.00 0.00 N ATOM 811 CA LEU A 53 70.147 0.584 13.597 1.00 0.00 C ATOM 812 C LEU A 53 70.954 -0.423 14.411 1.00 0.00 C ATOM 813 O LEU A 53 72.059 -0.810 14.031 1.00 0.00 O ATOM 814 CB LEU A 53 70.488 2.010 14.048 1.00 0.00 C ATOM 815 CG LEU A 53 71.589 2.612 13.160 1.00 0.00 C ATOM 816 CD1 LEU A 53 72.821 1.703 13.176 1.00 0.00 C ATOM 817 CD2 LEU A 53 71.078 2.769 11.717 1.00 0.00 C ATOM 0 H LEU A 53 68.224 1.115 14.245 1.00 0.00 H new ATOM 0 HA LEU A 53 70.397 0.462 12.543 1.00 0.00 H new ATOM 0 HB2 LEU A 53 69.596 2.634 14.003 1.00 0.00 H new ATOM 0 HB3 LEU A 53 70.817 1.999 15.087 1.00 0.00 H new ATOM 0 HG LEU A 53 71.860 3.594 13.549 1.00 0.00 H new ATOM 0 HD11 LEU A 53 73.599 2.133 12.545 1.00 0.00 H new ATOM 0 HD12 LEU A 53 73.191 1.610 14.197 1.00 0.00 H new ATOM 0 HD13 LEU A 53 72.551 0.717 12.797 1.00 0.00 H new ATOM 0 HD21 LEU A 53 71.866 3.196 11.097 1.00 0.00 H new ATOM 0 HD22 LEU A 53 70.795 1.793 11.323 1.00 0.00 H new ATOM 0 HD23 LEU A 53 70.211 3.429 11.708 1.00 0.00 H new ATOM 829 N MET A 54 70.390 -0.830 15.540 1.00 0.00 N ATOM 830 CA MET A 54 71.053 -1.783 16.424 1.00 0.00 C ATOM 831 C MET A 54 71.241 -3.141 15.747 1.00 0.00 C ATOM 832 O MET A 54 72.313 -3.738 15.839 1.00 0.00 O ATOM 833 CB MET A 54 70.233 -1.963 17.704 1.00 0.00 C ATOM 834 CG MET A 54 71.043 -2.765 18.726 1.00 0.00 C ATOM 835 SD MET A 54 70.181 -2.752 20.318 1.00 0.00 S ATOM 836 CE MET A 54 71.093 -4.114 21.087 1.00 0.00 C ATOM 0 H MET A 54 69.476 -0.516 15.866 1.00 0.00 H new ATOM 0 HA MET A 54 72.038 -1.383 16.665 1.00 0.00 H new ATOM 0 HB2 MET A 54 69.968 -0.990 18.118 1.00 0.00 H new ATOM 0 HB3 MET A 54 69.299 -2.479 17.480 1.00 0.00 H new ATOM 0 HG2 MET A 54 71.174 -3.790 18.379 1.00 0.00 H new ATOM 0 HG3 MET A 54 72.039 -2.335 18.835 1.00 0.00 H new ATOM 0 HE1 MET A 54 71.259 -3.892 22.141 1.00 0.00 H new ATOM 0 HE2 MET A 54 70.517 -5.035 20.997 1.00 0.00 H new ATOM 0 HE3 MET A 54 72.054 -4.237 20.587 1.00 0.00 H new ATOM 846 N LEU A 55 70.201 -3.632 15.074 1.00 0.00 N ATOM 847 CA LEU A 55 70.294 -4.931 14.404 1.00 0.00 C ATOM 848 C LEU A 55 70.866 -4.770 13.001 1.00 0.00 C ATOM 849 O LEU A 55 71.222 -5.751 12.352 1.00 0.00 O ATOM 850 CB LEU A 55 68.926 -5.636 14.334 1.00 0.00 C ATOM 851 CG LEU A 55 67.934 -5.054 15.368 1.00 0.00 C ATOM 852 CD1 LEU A 55 66.714 -4.475 14.634 1.00 0.00 C ATOM 853 CD2 LEU A 55 67.467 -6.156 16.341 1.00 0.00 C ATOM 0 H LEU A 55 69.301 -3.162 14.978 1.00 0.00 H new ATOM 0 HA LEU A 55 70.965 -5.554 14.996 1.00 0.00 H new ATOM 0 HB2 LEU A 55 68.512 -5.530 13.331 1.00 0.00 H new ATOM 0 HB3 LEU A 55 69.056 -6.703 14.514 1.00 0.00 H new ATOM 0 HG LEU A 55 68.434 -4.269 15.935 1.00 0.00 H new ATOM 0 HD11 LEU A 55 66.013 -4.064 15.361 1.00 0.00 H new ATOM 0 HD12 LEU A 55 67.038 -3.685 13.956 1.00 0.00 H new ATOM 0 HD13 LEU A 55 66.224 -5.264 14.064 1.00 0.00 H new ATOM 0 HD21 LEU A 55 66.769 -5.732 17.063 1.00 0.00 H new ATOM 0 HD22 LEU A 55 66.972 -6.950 15.781 1.00 0.00 H new ATOM 0 HD23 LEU A 55 68.329 -6.566 16.867 1.00 0.00 H new ATOM 865 N ASP A 56 70.968 -3.530 12.544 1.00 0.00 N ATOM 866 CA ASP A 56 71.521 -3.263 11.227 1.00 0.00 C ATOM 867 C ASP A 56 72.869 -3.946 11.135 1.00 0.00 C ATOM 868 O ASP A 56 73.237 -4.498 10.098 1.00 0.00 O ATOM 869 CB ASP A 56 71.680 -1.757 11.008 1.00 0.00 C ATOM 870 CG ASP A 56 72.295 -1.487 9.639 1.00 0.00 C ATOM 871 OD1 ASP A 56 71.838 -0.568 8.978 1.00 0.00 O ATOM 872 OD2 ASP A 56 73.214 -2.199 9.271 1.00 0.00 O ATOM 0 H ASP A 56 70.677 -2.700 13.062 1.00 0.00 H new ATOM 0 HA ASP A 56 70.849 -3.645 10.458 1.00 0.00 H new ATOM 0 HB2 ASP A 56 70.709 -1.267 11.082 1.00 0.00 H new ATOM 0 HB3 ASP A 56 72.312 -1.333 11.789 1.00 0.00 H new ATOM 877 N SER A 57 73.586 -3.933 12.253 1.00 0.00 N ATOM 878 CA SER A 57 74.877 -4.584 12.315 1.00 0.00 C ATOM 879 C SER A 57 74.681 -6.068 12.059 1.00 0.00 C ATOM 880 O SER A 57 75.647 -6.810 11.884 1.00 0.00 O ATOM 881 CB SER A 57 75.511 -4.373 13.690 1.00 0.00 C ATOM 882 OG SER A 57 75.379 -3.007 14.063 1.00 0.00 O ATOM 0 H SER A 57 73.293 -3.481 13.119 1.00 0.00 H new ATOM 0 HA SER A 57 75.540 -4.158 11.562 1.00 0.00 H new ATOM 0 HB2 SER A 57 75.027 -5.012 14.428 1.00 0.00 H new ATOM 0 HB3 SER A 57 76.564 -4.655 13.665 1.00 0.00 H new ATOM 0 HG SER A 57 75.783 -2.868 14.945 1.00 0.00 H new ATOM 888 N ALA A 58 73.407 -6.486 12.030 1.00 0.00 N ATOM 889 CA ALA A 58 73.063 -7.892 11.780 1.00 0.00 C ATOM 890 C ALA A 58 74.205 -8.588 11.043 1.00 0.00 C ATOM 891 O ALA A 58 75.144 -9.078 11.665 1.00 0.00 O ATOM 892 CB ALA A 58 71.778 -7.967 10.951 1.00 0.00 C ATOM 0 H ALA A 58 72.603 -5.875 12.176 1.00 0.00 H new ATOM 0 HA ALA A 58 72.904 -8.397 12.733 1.00 0.00 H new ATOM 0 HB1 ALA A 58 71.524 -9.011 10.767 1.00 0.00 H new ATOM 0 HB2 ALA A 58 70.965 -7.487 11.496 1.00 0.00 H new ATOM 0 HB3 ALA A 58 71.928 -7.457 10.000 1.00 0.00 H new ATOM 898 N LYS A 59 74.141 -8.593 9.719 1.00 0.00 N ATOM 899 CA LYS A 59 75.198 -9.186 8.917 1.00 0.00 C ATOM 900 C LYS A 59 75.354 -10.687 9.161 1.00 0.00 C ATOM 901 O LYS A 59 76.391 -11.139 9.643 1.00 0.00 O ATOM 902 CB LYS A 59 76.518 -8.478 9.220 1.00 0.00 C ATOM 903 CG LYS A 59 77.587 -8.916 8.210 1.00 0.00 C ATOM 904 CD LYS A 59 78.812 -9.432 8.964 1.00 0.00 C ATOM 905 CE LYS A 59 79.946 -9.713 7.976 1.00 0.00 C ATOM 906 NZ LYS A 59 80.571 -8.427 7.559 1.00 0.00 N ATOM 0 H LYS A 59 73.371 -8.195 9.181 1.00 0.00 H new ATOM 0 HA LYS A 59 74.923 -9.059 7.870 1.00 0.00 H new ATOM 0 HB2 LYS A 59 76.381 -7.398 9.173 1.00 0.00 H new ATOM 0 HB3 LYS A 59 76.844 -8.714 10.233 1.00 0.00 H new ATOM 0 HG2 LYS A 59 77.191 -9.696 7.559 1.00 0.00 H new ATOM 0 HG3 LYS A 59 77.865 -8.078 7.571 1.00 0.00 H new ATOM 0 HD2 LYS A 59 79.133 -8.697 9.701 1.00 0.00 H new ATOM 0 HD3 LYS A 59 78.559 -10.341 9.510 1.00 0.00 H new ATOM 0 HE2 LYS A 59 80.692 -10.360 8.437 1.00 0.00 H new ATOM 0 HE3 LYS A 59 79.561 -10.242 7.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 81.468 -8.620 7.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 79.928 -7.921 6.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 80.753 -7.841 8.399 1.00 0.00 H new ATOM 920 N GLY A 60 74.334 -11.457 8.797 1.00 0.00 N ATOM 921 CA GLY A 60 74.393 -12.910 8.951 1.00 0.00 C ATOM 922 C GLY A 60 73.808 -13.363 10.280 1.00 0.00 C ATOM 923 O GLY A 60 73.658 -14.560 10.525 1.00 0.00 O ATOM 0 H GLY A 60 73.464 -11.106 8.397 1.00 0.00 H new ATOM 0 HA2 GLY A 60 73.849 -13.384 8.134 1.00 0.00 H new ATOM 0 HA3 GLY A 60 75.429 -13.241 8.878 1.00 0.00 H new ATOM 927 N ARG A 61 73.470 -12.408 11.131 1.00 0.00 N ATOM 928 CA ARG A 61 72.894 -12.724 12.421 1.00 0.00 C ATOM 929 C ARG A 61 71.406 -12.971 12.256 1.00 0.00 C ATOM 930 O ARG A 61 70.778 -12.403 11.370 1.00 0.00 O ATOM 931 CB ARG A 61 73.149 -11.564 13.380 1.00 0.00 C ATOM 932 CG ARG A 61 74.663 -11.362 13.496 1.00 0.00 C ATOM 933 CD ARG A 61 74.979 -10.123 14.349 1.00 0.00 C ATOM 934 NE ARG A 61 76.058 -9.338 13.748 1.00 0.00 N ATOM 935 CZ ARG A 61 77.143 -9.908 13.228 1.00 0.00 C ATOM 936 NH1 ARG A 61 78.054 -9.168 12.657 1.00 0.00 N ATOM 937 NH2 ARG A 61 77.314 -11.199 13.309 1.00 0.00 N ATOM 0 H ARG A 61 73.585 -11.411 10.949 1.00 0.00 H new ATOM 0 HA ARG A 61 73.353 -13.624 12.831 1.00 0.00 H new ATOM 0 HB2 ARG A 61 72.671 -10.656 13.013 1.00 0.00 H new ATOM 0 HB3 ARG A 61 72.718 -11.778 14.358 1.00 0.00 H new ATOM 0 HG2 ARG A 61 75.120 -12.245 13.944 1.00 0.00 H new ATOM 0 HG3 ARG A 61 75.097 -11.247 12.503 1.00 0.00 H new ATOM 0 HD2 ARG A 61 74.086 -9.506 14.447 1.00 0.00 H new ATOM 0 HD3 ARG A 61 75.265 -10.432 15.355 1.00 0.00 H new ATOM 0 HE ARG A 61 75.976 -8.322 13.727 1.00 0.00 H new ATOM 0 HH11 ARG A 61 77.933 -8.156 12.610 1.00 0.00 H new ATOM 0 HH12 ARG A 61 78.886 -9.601 12.258 1.00 0.00 H new ATOM 0 HH21 ARG A 61 76.614 -11.778 13.773 1.00 0.00 H new ATOM 0 HH22 ARG A 61 78.148 -11.629 12.908 1.00 0.00 H new ATOM 951 N GLN A 62 70.842 -13.827 13.092 1.00 0.00 N ATOM 952 CA GLN A 62 69.423 -14.128 12.985 1.00 0.00 C ATOM 953 C GLN A 62 68.623 -13.221 13.888 1.00 0.00 C ATOM 954 O GLN A 62 69.012 -12.950 15.023 1.00 0.00 O ATOM 955 CB GLN A 62 69.148 -15.586 13.362 1.00 0.00 C ATOM 956 CG GLN A 62 70.249 -16.473 12.791 1.00 0.00 C ATOM 957 CD GLN A 62 69.808 -17.933 12.810 1.00 0.00 C ATOM 958 OE1 GLN A 62 68.635 -18.246 13.289 1.00 0.00 O flip ATOM 959 NE2 GLN A 62 70.553 -18.813 12.377 1.00 0.00 N flip ATOM 0 H GLN A 62 71.333 -14.318 13.839 1.00 0.00 H new ATOM 0 HA GLN A 62 69.123 -13.965 11.950 1.00 0.00 H new ATOM 0 HB2 GLN A 62 69.107 -15.691 14.446 1.00 0.00 H new ATOM 0 HB3 GLN A 62 68.178 -15.897 12.974 1.00 0.00 H new ATOM 0 HG2 GLN A 62 70.480 -16.168 11.770 1.00 0.00 H new ATOM 0 HG3 GLN A 62 71.162 -16.353 13.374 1.00 0.00 H new ATOM 0 HE21 GLN A 62 71.469 -18.567 12.003 1.00 0.00 H new ATOM 0 HE22 GLN A 62 70.254 -19.788 12.392 1.00 0.00 H new ATOM 968 N ILE A 63 67.496 -12.762 13.379 1.00 0.00 N ATOM 969 CA ILE A 63 66.633 -11.896 14.137 1.00 0.00 C ATOM 970 C ILE A 63 65.445 -12.677 14.633 1.00 0.00 C ATOM 971 O ILE A 63 64.960 -13.583 13.965 1.00 0.00 O ATOM 972 CB ILE A 63 66.154 -10.751 13.263 1.00 0.00 C ATOM 973 CG1 ILE A 63 65.422 -9.721 14.124 1.00 0.00 C ATOM 974 CG2 ILE A 63 65.196 -11.290 12.199 1.00 0.00 C ATOM 975 CD1 ILE A 63 66.416 -8.695 14.662 1.00 0.00 C ATOM 0 H ILE A 63 67.161 -12.979 12.440 1.00 0.00 H new ATOM 0 HA ILE A 63 67.187 -11.494 14.985 1.00 0.00 H new ATOM 0 HB ILE A 63 67.011 -10.281 12.781 1.00 0.00 H new ATOM 0 HG12 ILE A 63 64.653 -9.221 13.534 1.00 0.00 H new ATOM 0 HG13 ILE A 63 64.916 -10.219 14.951 1.00 0.00 H new ATOM 0 HG21 ILE A 63 64.851 -10.469 11.571 1.00 0.00 H new ATOM 0 HG22 ILE A 63 65.713 -12.026 11.583 1.00 0.00 H new ATOM 0 HG23 ILE A 63 64.340 -11.760 12.684 1.00 0.00 H new ATOM 0 HD11 ILE A 63 65.889 -7.964 15.275 1.00 0.00 H new ATOM 0 HD12 ILE A 63 67.169 -9.200 15.267 1.00 0.00 H new ATOM 0 HD13 ILE A 63 66.902 -8.187 13.829 1.00 0.00 H new ATOM 987 N GLU A 64 64.974 -12.290 15.794 1.00 0.00 N ATOM 988 CA GLU A 64 63.816 -12.919 16.396 1.00 0.00 C ATOM 989 C GLU A 64 62.712 -11.888 16.429 1.00 0.00 C ATOM 990 O GLU A 64 62.739 -10.951 17.228 1.00 0.00 O ATOM 991 CB GLU A 64 64.163 -13.427 17.804 1.00 0.00 C ATOM 992 CG GLU A 64 63.847 -14.921 17.925 1.00 0.00 C ATOM 993 CD GLU A 64 62.339 -15.132 18.013 1.00 0.00 C ATOM 994 OE1 GLU A 64 61.716 -15.253 16.971 1.00 0.00 O ATOM 995 OE2 GLU A 64 61.830 -15.170 19.121 1.00 0.00 O ATOM 0 H GLU A 64 65.378 -11.535 16.348 1.00 0.00 H new ATOM 0 HA GLU A 64 63.491 -13.785 15.820 1.00 0.00 H new ATOM 0 HB2 GLU A 64 65.219 -13.254 18.010 1.00 0.00 H new ATOM 0 HB3 GLU A 64 63.597 -12.868 18.549 1.00 0.00 H new ATOM 0 HG2 GLU A 64 64.247 -15.456 17.064 1.00 0.00 H new ATOM 0 HG3 GLU A 64 64.332 -15.333 18.810 1.00 0.00 H new ATOM 1002 N VAL A 65 61.762 -12.033 15.521 1.00 0.00 N ATOM 1003 CA VAL A 65 60.691 -11.081 15.430 1.00 0.00 C ATOM 1004 C VAL A 65 59.557 -11.465 16.338 1.00 0.00 C ATOM 1005 O VAL A 65 59.212 -12.635 16.430 1.00 0.00 O ATOM 1006 CB VAL A 65 60.183 -11.039 13.990 1.00 0.00 C ATOM 1007 CG1 VAL A 65 59.368 -12.301 13.678 1.00 0.00 C ATOM 1008 CG2 VAL A 65 59.307 -9.804 13.811 1.00 0.00 C ATOM 0 H VAL A 65 61.718 -12.797 14.846 1.00 0.00 H new ATOM 0 HA VAL A 65 61.066 -10.103 15.732 1.00 0.00 H new ATOM 0 HB VAL A 65 61.032 -10.995 13.307 1.00 0.00 H new ATOM 0 HG11 VAL A 65 59.012 -12.259 12.649 1.00 0.00 H new ATOM 0 HG12 VAL A 65 59.997 -13.182 13.808 1.00 0.00 H new ATOM 0 HG13 VAL A 65 58.516 -12.360 14.355 1.00 0.00 H new ATOM 0 HG21 VAL A 65 58.939 -9.764 12.786 1.00 0.00 H new ATOM 0 HG22 VAL A 65 58.462 -9.854 14.498 1.00 0.00 H new ATOM 0 HG23 VAL A 65 59.893 -8.909 14.021 1.00 0.00 H new ATOM 1018 N GLU A 66 58.954 -10.481 16.980 1.00 0.00 N ATOM 1019 CA GLU A 66 57.810 -10.764 17.819 1.00 0.00 C ATOM 1020 C GLU A 66 56.819 -9.607 17.777 1.00 0.00 C ATOM 1021 O GLU A 66 57.124 -8.517 18.254 1.00 0.00 O ATOM 1022 CB GLU A 66 58.216 -11.030 19.266 1.00 0.00 C ATOM 1023 CG GLU A 66 56.952 -11.063 20.135 1.00 0.00 C ATOM 1024 CD GLU A 66 57.248 -11.749 21.465 1.00 0.00 C ATOM 1025 OE1 GLU A 66 57.563 -12.927 21.444 1.00 0.00 O ATOM 1026 OE2 GLU A 66 57.154 -11.085 22.485 1.00 0.00 O ATOM 0 H GLU A 66 59.231 -9.500 16.938 1.00 0.00 H new ATOM 0 HA GLU A 66 57.340 -11.666 17.426 1.00 0.00 H new ATOM 0 HB2 GLU A 66 58.750 -11.977 19.340 1.00 0.00 H new ATOM 0 HB3 GLU A 66 58.895 -10.253 19.617 1.00 0.00 H new ATOM 0 HG2 GLU A 66 56.596 -10.048 20.312 1.00 0.00 H new ATOM 0 HG3 GLU A 66 56.156 -11.593 19.613 1.00 0.00 H new ATOM 1033 N ALA A 67 55.621 -9.843 17.243 1.00 0.00 N ATOM 1034 CA ALA A 67 54.611 -8.791 17.200 1.00 0.00 C ATOM 1035 C ALA A 67 53.424 -9.198 18.048 1.00 0.00 C ATOM 1036 O ALA A 67 53.190 -10.387 18.262 1.00 0.00 O ATOM 1037 CB ALA A 67 54.179 -8.512 15.761 1.00 0.00 C ATOM 0 H ALA A 67 55.331 -10.735 16.842 1.00 0.00 H new ATOM 0 HA ALA A 67 55.037 -7.872 17.601 1.00 0.00 H new ATOM 0 HB1 ALA A 67 53.426 -7.724 15.754 1.00 0.00 H new ATOM 0 HB2 ALA A 67 55.043 -8.194 15.177 1.00 0.00 H new ATOM 0 HB3 ALA A 67 53.760 -9.419 15.325 1.00 0.00 H new ATOM 1043 N THR A 68 52.694 -8.217 18.567 1.00 0.00 N ATOM 1044 CA THR A 68 51.563 -8.531 19.420 1.00 0.00 C ATOM 1045 C THR A 68 50.493 -7.439 19.389 1.00 0.00 C ATOM 1046 O THR A 68 50.631 -6.395 20.026 1.00 0.00 O ATOM 1047 CB THR A 68 52.054 -8.702 20.855 1.00 0.00 C ATOM 1048 OG1 THR A 68 52.958 -9.794 20.920 1.00 0.00 O ATOM 1049 CG2 THR A 68 50.862 -8.963 21.768 1.00 0.00 C ATOM 0 H THR A 68 52.862 -7.222 18.415 1.00 0.00 H new ATOM 0 HA THR A 68 51.112 -9.451 19.047 1.00 0.00 H new ATOM 0 HB THR A 68 52.565 -7.795 21.178 1.00 0.00 H new ATOM 0 HG1 THR A 68 53.163 -9.994 21.857 1.00 0.00 H new ATOM 0 HG21 THR A 68 51.209 -9.086 22.794 1.00 0.00 H new ATOM 0 HG22 THR A 68 50.173 -8.120 21.717 1.00 0.00 H new ATOM 0 HG23 THR A 68 50.350 -9.870 21.447 1.00 0.00 H new ATOM 1057 N GLY A 69 49.418 -7.711 18.664 1.00 0.00 N ATOM 1058 CA GLY A 69 48.298 -6.781 18.564 1.00 0.00 C ATOM 1059 C GLY A 69 47.313 -7.233 17.490 1.00 0.00 C ATOM 1060 O GLY A 69 47.548 -8.206 16.783 1.00 0.00 O ATOM 0 H GLY A 69 49.296 -8.573 18.133 1.00 0.00 H new ATOM 0 HA2 GLY A 69 47.789 -6.713 19.525 1.00 0.00 H new ATOM 0 HA3 GLY A 69 48.668 -5.783 18.328 1.00 0.00 H new ATOM 1064 N PRO A 70 46.219 -6.551 17.358 1.00 0.00 N ATOM 1065 CA PRO A 70 45.178 -6.889 16.351 1.00 0.00 C ATOM 1066 C PRO A 70 45.752 -7.360 15.020 1.00 0.00 C ATOM 1067 O PRO A 70 45.333 -8.385 14.483 1.00 0.00 O ATOM 1068 CB PRO A 70 44.443 -5.568 16.184 1.00 0.00 C ATOM 1069 CG PRO A 70 44.497 -4.943 17.538 1.00 0.00 C ATOM 1070 CD PRO A 70 45.834 -5.373 18.155 1.00 0.00 C ATOM 0 HA PRO A 70 44.551 -7.720 16.674 1.00 0.00 H new ATOM 0 HB2 PRO A 70 44.923 -4.938 15.435 1.00 0.00 H new ATOM 0 HB3 PRO A 70 43.415 -5.723 15.858 1.00 0.00 H new ATOM 0 HG2 PRO A 70 44.432 -3.857 17.468 1.00 0.00 H new ATOM 0 HG3 PRO A 70 43.660 -5.274 18.153 1.00 0.00 H new ATOM 0 HD2 PRO A 70 46.580 -4.581 18.087 1.00 0.00 H new ATOM 0 HD3 PRO A 70 45.727 -5.621 19.211 1.00 0.00 H new ATOM 1078 N GLN A 71 46.683 -6.587 14.475 1.00 0.00 N ATOM 1079 CA GLN A 71 47.276 -6.922 13.171 1.00 0.00 C ATOM 1080 C GLN A 71 48.795 -7.136 13.243 1.00 0.00 C ATOM 1081 O GLN A 71 49.533 -6.686 12.368 1.00 0.00 O ATOM 1082 CB GLN A 71 46.956 -5.801 12.177 1.00 0.00 C ATOM 1083 CG GLN A 71 45.484 -5.891 11.745 1.00 0.00 C ATOM 1084 CD GLN A 71 44.868 -4.496 11.675 1.00 0.00 C ATOM 1085 OE1 GLN A 71 44.403 -4.073 10.616 1.00 0.00 O ATOM 1086 NE2 GLN A 71 44.838 -3.751 12.748 1.00 0.00 N ATOM 0 H GLN A 71 47.045 -5.734 14.902 1.00 0.00 H new ATOM 0 HA GLN A 71 46.842 -7.866 12.843 1.00 0.00 H new ATOM 0 HB2 GLN A 71 47.151 -4.831 12.634 1.00 0.00 H new ATOM 0 HB3 GLN A 71 47.606 -5.879 11.305 1.00 0.00 H new ATOM 0 HG2 GLN A 71 45.412 -6.377 10.772 1.00 0.00 H new ATOM 0 HG3 GLN A 71 44.927 -6.507 12.451 1.00 0.00 H new ATOM 0 HE21 GLN A 71 45.224 -4.103 13.624 1.00 0.00 H new ATOM 0 HE22 GLN A 71 44.429 -2.817 12.709 1.00 0.00 H new ATOM 1095 N GLU A 72 49.254 -7.837 14.274 1.00 0.00 N ATOM 1096 CA GLU A 72 50.682 -8.116 14.436 1.00 0.00 C ATOM 1097 C GLU A 72 51.215 -8.973 13.307 1.00 0.00 C ATOM 1098 O GLU A 72 52.350 -8.798 12.870 1.00 0.00 O ATOM 1099 CB GLU A 72 50.916 -8.835 15.774 1.00 0.00 C ATOM 1100 CG GLU A 72 49.687 -9.668 16.126 1.00 0.00 C ATOM 1101 CD GLU A 72 50.059 -10.800 17.075 1.00 0.00 C ATOM 1102 OE1 GLU A 72 51.237 -10.965 17.329 1.00 0.00 O ATOM 1103 OE2 GLU A 72 49.159 -11.485 17.533 1.00 0.00 O ATOM 0 H GLU A 72 48.662 -8.223 15.010 1.00 0.00 H new ATOM 0 HA GLU A 72 51.214 -7.165 14.420 1.00 0.00 H new ATOM 0 HB2 GLU A 72 51.795 -9.476 15.706 1.00 0.00 H new ATOM 0 HB3 GLU A 72 51.112 -8.107 16.561 1.00 0.00 H new ATOM 0 HG2 GLU A 72 48.931 -9.033 16.588 1.00 0.00 H new ATOM 0 HG3 GLU A 72 49.247 -10.078 15.217 1.00 0.00 H new ATOM 1110 N GLU A 73 50.407 -9.898 12.845 1.00 0.00 N ATOM 1111 CA GLU A 73 50.839 -10.774 11.775 1.00 0.00 C ATOM 1112 C GLU A 73 51.196 -9.960 10.540 1.00 0.00 C ATOM 1113 O GLU A 73 52.341 -9.954 10.108 1.00 0.00 O ATOM 1114 CB GLU A 73 49.734 -11.780 11.439 1.00 0.00 C ATOM 1115 CG GLU A 73 49.590 -12.795 12.586 1.00 0.00 C ATOM 1116 CD GLU A 73 49.863 -14.210 12.079 1.00 0.00 C ATOM 1117 OE1 GLU A 73 50.804 -14.374 11.320 1.00 0.00 O ATOM 1118 OE2 GLU A 73 49.127 -15.106 12.458 1.00 0.00 O ATOM 0 H GLU A 73 49.460 -10.065 13.185 1.00 0.00 H new ATOM 0 HA GLU A 73 51.724 -11.318 12.105 1.00 0.00 H new ATOM 0 HB2 GLU A 73 48.790 -11.259 11.281 1.00 0.00 H new ATOM 0 HB3 GLU A 73 49.971 -12.298 10.510 1.00 0.00 H new ATOM 0 HG2 GLU A 73 50.285 -12.548 13.388 1.00 0.00 H new ATOM 0 HG3 GLU A 73 48.586 -12.739 13.006 1.00 0.00 H new ATOM 1125 N GLU A 74 50.219 -9.256 9.991 1.00 0.00 N ATOM 1126 CA GLU A 74 50.458 -8.436 8.807 1.00 0.00 C ATOM 1127 C GLU A 74 51.712 -7.592 8.990 1.00 0.00 C ATOM 1128 O GLU A 74 52.488 -7.385 8.058 1.00 0.00 O ATOM 1129 CB GLU A 74 49.263 -7.511 8.575 1.00 0.00 C ATOM 1130 CG GLU A 74 47.976 -8.217 9.000 1.00 0.00 C ATOM 1131 CD GLU A 74 46.766 -7.542 8.361 1.00 0.00 C ATOM 1132 OE1 GLU A 74 45.675 -7.717 8.877 1.00 0.00 O ATOM 1133 OE2 GLU A 74 46.947 -6.862 7.364 1.00 0.00 O ATOM 0 H GLU A 74 49.261 -9.233 10.340 1.00 0.00 H new ATOM 0 HA GLU A 74 50.592 -9.094 7.949 1.00 0.00 H new ATOM 0 HB2 GLU A 74 49.388 -6.589 9.143 1.00 0.00 H new ATOM 0 HB3 GLU A 74 49.206 -7.232 7.523 1.00 0.00 H new ATOM 0 HG2 GLU A 74 48.014 -9.266 8.705 1.00 0.00 H new ATOM 0 HG3 GLU A 74 47.882 -8.195 10.086 1.00 0.00 H new ATOM 1140 N ALA A 75 51.875 -7.095 10.201 1.00 0.00 N ATOM 1141 CA ALA A 75 53.008 -6.242 10.547 1.00 0.00 C ATOM 1142 C ALA A 75 54.312 -7.017 10.563 1.00 0.00 C ATOM 1143 O ALA A 75 55.237 -6.693 9.827 1.00 0.00 O ATOM 1144 CB ALA A 75 52.751 -5.613 11.928 1.00 0.00 C ATOM 0 H ALA A 75 51.232 -7.267 10.974 1.00 0.00 H new ATOM 0 HA ALA A 75 53.102 -5.465 9.788 1.00 0.00 H new ATOM 0 HB1 ALA A 75 53.591 -4.973 12.198 1.00 0.00 H new ATOM 0 HB2 ALA A 75 51.838 -5.018 11.893 1.00 0.00 H new ATOM 0 HB3 ALA A 75 52.642 -6.402 12.672 1.00 0.00 H new ATOM 1150 N LEU A 76 54.370 -8.034 11.394 1.00 0.00 N ATOM 1151 CA LEU A 76 55.555 -8.865 11.509 1.00 0.00 C ATOM 1152 C LEU A 76 55.693 -9.732 10.266 1.00 0.00 C ATOM 1153 O LEU A 76 56.796 -10.054 9.832 1.00 0.00 O ATOM 1154 CB LEU A 76 55.385 -9.710 12.774 1.00 0.00 C ATOM 1155 CG LEU A 76 55.985 -11.109 12.624 1.00 0.00 C ATOM 1156 CD1 LEU A 76 56.139 -11.706 14.025 1.00 0.00 C ATOM 1157 CD2 LEU A 76 55.057 -12.008 11.783 1.00 0.00 C ATOM 0 H LEU A 76 53.603 -8.310 12.007 1.00 0.00 H new ATOM 0 HA LEU A 76 56.464 -8.268 11.585 1.00 0.00 H new ATOM 0 HB2 LEU A 76 55.859 -9.202 13.614 1.00 0.00 H new ATOM 0 HB3 LEU A 76 54.325 -9.796 13.011 1.00 0.00 H new ATOM 0 HG LEU A 76 56.949 -11.046 12.119 1.00 0.00 H new ATOM 0 HD11 LEU A 76 56.566 -12.706 13.949 1.00 0.00 H new ATOM 0 HD12 LEU A 76 56.799 -11.074 14.619 1.00 0.00 H new ATOM 0 HD13 LEU A 76 55.162 -11.764 14.505 1.00 0.00 H new ATOM 0 HD21 LEU A 76 55.500 -12.999 11.687 1.00 0.00 H new ATOM 0 HD22 LEU A 76 54.087 -12.090 12.274 1.00 0.00 H new ATOM 0 HD23 LEU A 76 54.927 -11.571 10.793 1.00 0.00 H new ATOM 1169 N ALA A 77 54.554 -10.093 9.699 1.00 0.00 N ATOM 1170 CA ALA A 77 54.523 -10.914 8.497 1.00 0.00 C ATOM 1171 C ALA A 77 54.925 -10.092 7.277 1.00 0.00 C ATOM 1172 O ALA A 77 55.357 -10.642 6.263 1.00 0.00 O ATOM 1173 CB ALA A 77 53.109 -11.459 8.290 1.00 0.00 C ATOM 0 H ALA A 77 53.634 -9.830 10.053 1.00 0.00 H new ATOM 0 HA ALA A 77 55.228 -11.737 8.618 1.00 0.00 H new ATOM 0 HB1 ALA A 77 53.084 -12.074 7.390 1.00 0.00 H new ATOM 0 HB2 ALA A 77 52.822 -12.063 9.151 1.00 0.00 H new ATOM 0 HB3 ALA A 77 52.411 -10.629 8.181 1.00 0.00 H new ATOM 1179 N ALA A 78 54.785 -8.773 7.379 1.00 0.00 N ATOM 1180 CA ALA A 78 55.145 -7.897 6.271 1.00 0.00 C ATOM 1181 C ALA A 78 56.657 -7.703 6.253 1.00 0.00 C ATOM 1182 O ALA A 78 57.296 -7.727 5.195 1.00 0.00 O ATOM 1183 CB ALA A 78 54.428 -6.546 6.408 1.00 0.00 C ATOM 0 H ALA A 78 54.430 -8.293 8.206 1.00 0.00 H new ATOM 0 HA ALA A 78 54.833 -8.353 5.331 1.00 0.00 H new ATOM 0 HB1 ALA A 78 54.705 -5.901 5.574 1.00 0.00 H new ATOM 0 HB2 ALA A 78 53.350 -6.704 6.401 1.00 0.00 H new ATOM 0 HB3 ALA A 78 54.720 -6.073 7.346 1.00 0.00 H new ATOM 1189 N VAL A 79 57.229 -7.556 7.441 1.00 0.00 N ATOM 1190 CA VAL A 79 58.665 -7.402 7.564 1.00 0.00 C ATOM 1191 C VAL A 79 59.324 -8.685 7.107 1.00 0.00 C ATOM 1192 O VAL A 79 60.273 -8.678 6.332 1.00 0.00 O ATOM 1193 CB VAL A 79 59.041 -7.128 9.029 1.00 0.00 C ATOM 1194 CG1 VAL A 79 57.796 -6.746 9.815 1.00 0.00 C ATOM 1195 CG2 VAL A 79 59.650 -8.383 9.652 1.00 0.00 C ATOM 0 H VAL A 79 56.721 -7.541 8.325 1.00 0.00 H new ATOM 0 HA VAL A 79 59.000 -6.564 6.953 1.00 0.00 H new ATOM 0 HB VAL A 79 59.764 -6.313 9.060 1.00 0.00 H new ATOM 0 HG11 VAL A 79 58.066 -6.552 10.853 1.00 0.00 H new ATOM 0 HG12 VAL A 79 57.353 -5.849 9.382 1.00 0.00 H new ATOM 0 HG13 VAL A 79 57.075 -7.562 9.774 1.00 0.00 H new ATOM 0 HG21 VAL A 79 59.914 -8.182 10.690 1.00 0.00 H new ATOM 0 HG22 VAL A 79 58.926 -9.197 9.613 1.00 0.00 H new ATOM 0 HG23 VAL A 79 60.545 -8.667 9.098 1.00 0.00 H new ATOM 1205 N ILE A 80 58.801 -9.785 7.623 1.00 0.00 N ATOM 1206 CA ILE A 80 59.313 -11.094 7.306 1.00 0.00 C ATOM 1207 C ILE A 80 59.469 -11.229 5.827 1.00 0.00 C ATOM 1208 O ILE A 80 60.563 -11.470 5.332 1.00 0.00 O ATOM 1209 CB ILE A 80 58.359 -12.128 7.870 1.00 0.00 C ATOM 1210 CG1 ILE A 80 58.592 -12.153 9.386 1.00 0.00 C ATOM 1211 CG2 ILE A 80 58.613 -13.505 7.236 1.00 0.00 C ATOM 1212 CD1 ILE A 80 59.370 -13.398 9.785 1.00 0.00 C ATOM 0 H ILE A 80 58.013 -9.789 8.270 1.00 0.00 H new ATOM 0 HA ILE A 80 60.296 -11.246 7.751 1.00 0.00 H new ATOM 0 HB ILE A 80 57.322 -11.876 7.647 1.00 0.00 H new ATOM 0 HG12 ILE A 80 59.140 -11.261 9.690 1.00 0.00 H new ATOM 0 HG13 ILE A 80 57.635 -12.132 9.907 1.00 0.00 H new ATOM 0 HG21 ILE A 80 57.918 -14.232 7.655 1.00 0.00 H new ATOM 0 HG22 ILE A 80 58.466 -13.442 6.158 1.00 0.00 H new ATOM 0 HG23 ILE A 80 59.636 -13.819 7.445 1.00 0.00 H new ATOM 0 HD11 ILE A 80 59.526 -13.399 10.864 1.00 0.00 H new ATOM 0 HD12 ILE A 80 58.807 -14.286 9.499 1.00 0.00 H new ATOM 0 HD13 ILE A 80 60.335 -13.402 9.279 1.00 0.00 H new ATOM 1224 N ALA A 81 58.393 -11.021 5.110 1.00 0.00 N ATOM 1225 CA ALA A 81 58.490 -11.080 3.676 1.00 0.00 C ATOM 1226 C ALA A 81 59.697 -10.270 3.267 1.00 0.00 C ATOM 1227 O ALA A 81 60.308 -10.520 2.228 1.00 0.00 O ATOM 1228 CB ALA A 81 57.246 -10.510 3.021 1.00 0.00 C ATOM 0 H ALA A 81 57.466 -10.815 5.483 1.00 0.00 H new ATOM 0 HA ALA A 81 58.586 -12.117 3.356 1.00 0.00 H new ATOM 0 HB1 ALA A 81 57.347 -10.567 1.937 1.00 0.00 H new ATOM 0 HB2 ALA A 81 56.374 -11.084 3.335 1.00 0.00 H new ATOM 0 HB3 ALA A 81 57.122 -9.469 3.319 1.00 0.00 H new ATOM 1234 N LEU A 82 60.073 -9.320 4.129 1.00 0.00 N ATOM 1235 CA LEU A 82 61.254 -8.527 3.857 1.00 0.00 C ATOM 1236 C LEU A 82 62.443 -9.200 4.513 1.00 0.00 C ATOM 1237 O LEU A 82 63.476 -9.418 3.881 1.00 0.00 O ATOM 1238 CB LEU A 82 61.103 -7.094 4.372 1.00 0.00 C ATOM 1239 CG LEU A 82 61.923 -6.153 3.482 1.00 0.00 C ATOM 1240 CD1 LEU A 82 63.373 -6.648 3.409 1.00 0.00 C ATOM 1241 CD2 LEU A 82 61.317 -6.114 2.068 1.00 0.00 C ATOM 0 H LEU A 82 59.586 -9.092 4.996 1.00 0.00 H new ATOM 0 HA LEU A 82 61.400 -8.465 2.779 1.00 0.00 H new ATOM 0 HB2 LEU A 82 60.053 -6.800 4.364 1.00 0.00 H new ATOM 0 HB3 LEU A 82 61.445 -7.028 5.405 1.00 0.00 H new ATOM 0 HG LEU A 82 61.905 -5.149 3.907 1.00 0.00 H new ATOM 0 HD11 LEU A 82 63.955 -5.978 2.776 1.00 0.00 H new ATOM 0 HD12 LEU A 82 63.803 -6.665 4.411 1.00 0.00 H new ATOM 0 HD13 LEU A 82 63.394 -7.653 2.988 1.00 0.00 H new ATOM 0 HD21 LEU A 82 61.903 -5.444 1.439 1.00 0.00 H new ATOM 0 HD22 LEU A 82 61.328 -7.116 1.640 1.00 0.00 H new ATOM 0 HD23 LEU A 82 60.290 -5.754 2.122 1.00 0.00 H new ATOM 1253 N PHE A 83 62.281 -9.557 5.781 1.00 0.00 N ATOM 1254 CA PHE A 83 63.344 -10.230 6.484 1.00 0.00 C ATOM 1255 C PHE A 83 63.693 -11.483 5.711 1.00 0.00 C ATOM 1256 O PHE A 83 64.854 -11.882 5.617 1.00 0.00 O ATOM 1257 CB PHE A 83 62.934 -10.578 7.906 1.00 0.00 C ATOM 1258 CG PHE A 83 62.942 -9.353 8.795 1.00 0.00 C ATOM 1259 CD1 PHE A 83 62.857 -8.058 8.254 1.00 0.00 C ATOM 1260 CD2 PHE A 83 63.034 -9.522 10.180 1.00 0.00 C ATOM 1261 CE1 PHE A 83 62.865 -6.949 9.104 1.00 0.00 C ATOM 1262 CE2 PHE A 83 63.041 -8.412 11.022 1.00 0.00 C ATOM 1263 CZ PHE A 83 62.957 -7.130 10.486 1.00 0.00 C ATOM 0 H PHE A 83 61.436 -9.392 6.328 1.00 0.00 H new ATOM 0 HA PHE A 83 64.210 -9.572 6.555 1.00 0.00 H new ATOM 0 HB2 PHE A 83 61.938 -11.021 7.902 1.00 0.00 H new ATOM 0 HB3 PHE A 83 63.614 -11.328 8.310 1.00 0.00 H new ATOM 0 HD1 PHE A 83 62.786 -7.921 7.185 1.00 0.00 H new ATOM 0 HD2 PHE A 83 63.100 -10.516 10.598 1.00 0.00 H new ATOM 0 HE1 PHE A 83 62.800 -5.952 8.693 1.00 0.00 H new ATOM 0 HE2 PHE A 83 63.112 -8.546 12.091 1.00 0.00 H new ATOM 0 HZ PHE A 83 62.963 -6.272 11.141 1.00 0.00 H new ATOM 1273 N ASN A 84 62.661 -12.068 5.119 1.00 0.00 N ATOM 1274 CA ASN A 84 62.816 -13.245 4.297 1.00 0.00 C ATOM 1275 C ASN A 84 63.145 -12.785 2.899 1.00 0.00 C ATOM 1276 O ASN A 84 63.566 -13.552 2.033 1.00 0.00 O ATOM 1277 CB ASN A 84 61.508 -14.031 4.294 1.00 0.00 C ATOM 1278 CG ASN A 84 61.773 -15.524 4.463 1.00 0.00 C ATOM 1279 OD1 ASN A 84 62.611 -16.090 3.761 1.00 0.00 O ATOM 1280 ND2 ASN A 84 61.104 -16.196 5.359 1.00 0.00 N ATOM 0 H ASN A 84 61.700 -11.737 5.199 1.00 0.00 H new ATOM 0 HA ASN A 84 63.609 -13.888 4.679 1.00 0.00 H new ATOM 0 HB2 ASN A 84 60.864 -13.678 5.100 1.00 0.00 H new ATOM 0 HB3 ASN A 84 60.975 -13.855 3.360 1.00 0.00 H new ATOM 0 HD21 ASN A 84 61.274 -17.194 5.480 1.00 0.00 H new ATOM 0 HD22 ASN A 84 60.411 -15.723 5.939 1.00 0.00 H new ATOM 1287 N SER A 85 62.933 -11.502 2.720 1.00 0.00 N ATOM 1288 CA SER A 85 63.185 -10.847 1.441 1.00 0.00 C ATOM 1289 C SER A 85 62.349 -11.488 0.337 1.00 0.00 C ATOM 1290 O SER A 85 62.668 -12.600 -0.050 1.00 0.00 O ATOM 1291 CB SER A 85 64.668 -10.948 1.085 1.00 0.00 C ATOM 1292 OG SER A 85 64.924 -10.176 -0.081 1.00 0.00 O ATOM 1293 OXT SER A 85 61.403 -10.857 -0.104 1.00 0.00 O ATOM 0 H SER A 85 62.583 -10.879 3.448 1.00 0.00 H new ATOM 0 HA SER A 85 62.905 -9.797 1.530 1.00 0.00 H new ATOM 0 HB2 SER A 85 65.278 -10.589 1.914 1.00 0.00 H new ATOM 0 HB3 SER A 85 64.943 -11.989 0.914 1.00 0.00 H new ATOM 0 HG SER A 85 65.875 -10.237 -0.312 1.00 0.00 H new