USER MOD reduce.3.24.130724 H: found=0, std=0, add=559, rem=0, adj=14 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 Single : A 2 THR OG1 : rot 5:sc= 0.828 USER MOD Single : A 4 LYS NZ :NH3+ 172:sc= -0.906 (180deg=-1.3) USER MOD Single : A 5 GLN :FLIP amide:sc= -2.78! C(o=-3.8!,f=-2.8!) USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.37 USER MOD Single : A 21 MET CE :methyl 153:sc= -0.276 (180deg=-1.56!) USER MOD Single : A 22 LYS NZ :NH3+ -131:sc= -0.476 (180deg=-3.28!) USER MOD Single : A 27 MET CE :methyl -137:sc= -3.13 (180deg=-8.51!) USER MOD Single : A 28 GLN : amide:sc= -0.462 K(o=-0.46,f=-2.4) USER MOD Single : A 38 ASN : amide:sc= -20.6! C(o=-21!,f=-32!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= -0.378 K(o=-0.38,f=-1.1) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -160:sc= -0.0577 (180deg=-0.505) USER MOD Single : A 62 GLN :FLIP amide:sc= -0.305 F(o=-1.7!,f=-0.3) USER MOD Single : A 68 THR OG1 : rot 180:sc= -2.79! USER MOD Single : A 71 GLN : amide:sc= -3.53! C(o=-3.5!,f=-6.9!) USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0.039) USER MOD Single : A 85 SER OG : rot 37:sc= 1.28 USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 49.641 -12.874 19.682 1.00 0.00 N ATOM 21 CA THR A 2 51.060 -12.549 19.572 1.00 0.00 C ATOM 22 C THR A 2 51.714 -13.354 18.457 1.00 0.00 C ATOM 23 O THR A 2 51.340 -14.501 18.211 1.00 0.00 O ATOM 24 CB THR A 2 51.782 -12.881 20.884 1.00 0.00 C ATOM 25 OG1 THR A 2 50.825 -13.218 21.879 1.00 0.00 O ATOM 26 CG2 THR A 2 52.601 -11.677 21.348 1.00 0.00 C ATOM 0 HA THR A 2 51.139 -11.484 19.354 1.00 0.00 H new ATOM 0 HB THR A 2 52.452 -13.725 20.721 1.00 0.00 H new ATOM 0 HG1 THR A 2 49.930 -13.237 21.479 1.00 0.00 H new ATOM 0 HG21 THR A 2 53.111 -11.921 22.280 1.00 0.00 H new ATOM 0 HG22 THR A 2 53.339 -11.424 20.587 1.00 0.00 H new ATOM 0 HG23 THR A 2 51.939 -10.826 21.508 1.00 0.00 H new ATOM 34 N VAL A 3 52.728 -12.777 17.820 1.00 0.00 N ATOM 35 CA VAL A 3 53.450 -13.475 16.797 1.00 0.00 C ATOM 36 C VAL A 3 54.892 -13.120 16.909 1.00 0.00 C ATOM 37 O VAL A 3 55.253 -11.961 17.103 1.00 0.00 O ATOM 38 CB VAL A 3 52.980 -13.116 15.415 1.00 0.00 C ATOM 39 CG1 VAL A 3 51.730 -13.906 15.103 1.00 0.00 C ATOM 40 CG2 VAL A 3 52.712 -11.614 15.327 1.00 0.00 C ATOM 0 H VAL A 3 53.057 -11.829 18.004 1.00 0.00 H new ATOM 0 HA VAL A 3 53.282 -14.542 16.941 1.00 0.00 H new ATOM 0 HB VAL A 3 53.750 -13.363 14.684 1.00 0.00 H new ATOM 0 HG11 VAL A 3 51.380 -13.653 14.102 1.00 0.00 H new ATOM 0 HG12 VAL A 3 51.952 -14.972 15.151 1.00 0.00 H new ATOM 0 HG13 VAL A 3 50.955 -13.663 15.830 1.00 0.00 H new ATOM 0 HG21 VAL A 3 52.372 -11.363 14.322 1.00 0.00 H new ATOM 0 HG22 VAL A 3 51.944 -11.339 16.049 1.00 0.00 H new ATOM 0 HG23 VAL A 3 53.629 -11.067 15.547 1.00 0.00 H new ATOM 50 N LYS A 4 55.704 -14.122 16.789 1.00 0.00 N ATOM 51 CA LYS A 4 57.111 -13.934 16.878 1.00 0.00 C ATOM 52 C LYS A 4 57.826 -14.976 16.070 1.00 0.00 C ATOM 53 O LYS A 4 57.459 -16.151 16.065 1.00 0.00 O ATOM 54 CB LYS A 4 57.552 -13.992 18.320 1.00 0.00 C ATOM 55 CG LYS A 4 57.022 -15.277 18.987 1.00 0.00 C ATOM 56 CD LYS A 4 55.872 -14.957 19.967 1.00 0.00 C ATOM 57 CE LYS A 4 54.515 -14.925 19.237 1.00 0.00 C ATOM 58 NZ LYS A 4 53.523 -15.722 20.014 1.00 0.00 N ATOM 0 H LYS A 4 55.410 -15.085 16.628 1.00 0.00 H new ATOM 0 HA LYS A 4 57.361 -12.952 16.476 1.00 0.00 H new ATOM 0 HB2 LYS A 4 58.640 -13.966 18.376 1.00 0.00 H new ATOM 0 HB3 LYS A 4 57.184 -13.117 18.856 1.00 0.00 H new ATOM 0 HG2 LYS A 4 56.671 -15.970 18.222 1.00 0.00 H new ATOM 0 HG3 LYS A 4 57.832 -15.775 19.521 1.00 0.00 H new ATOM 0 HD2 LYS A 4 55.845 -15.706 20.758 1.00 0.00 H new ATOM 0 HD3 LYS A 4 56.054 -13.995 20.445 1.00 0.00 H new ATOM 0 HE2 LYS A 4 54.170 -13.897 19.130 1.00 0.00 H new ATOM 0 HE3 LYS A 4 54.619 -15.332 18.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 52.576 -15.594 19.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 53.783 -16.728 19.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 53.517 -15.400 21.003 1.00 0.00 H new ATOM 72 N GLN A 5 58.821 -14.520 15.351 1.00 0.00 N ATOM 73 CA GLN A 5 59.566 -15.390 14.481 1.00 0.00 C ATOM 74 C GLN A 5 61.019 -14.966 14.392 1.00 0.00 C ATOM 75 O GLN A 5 61.365 -13.809 14.602 1.00 0.00 O ATOM 76 CB GLN A 5 58.937 -15.337 13.103 1.00 0.00 C ATOM 77 CG GLN A 5 57.413 -15.281 13.244 1.00 0.00 C ATOM 78 CD GLN A 5 56.759 -15.361 11.868 1.00 0.00 C ATOM 79 OE1 GLN A 5 57.476 -15.708 10.834 1.00 0.00 O flip ATOM 80 NE2 GLN A 5 55.563 -15.100 11.731 1.00 0.00 N flip ATOM 0 H GLN A 5 59.133 -13.549 15.352 1.00 0.00 H new ATOM 0 HA GLN A 5 59.538 -16.404 14.881 1.00 0.00 H new ATOM 0 HB2 GLN A 5 59.296 -14.462 12.560 1.00 0.00 H new ATOM 0 HB3 GLN A 5 59.228 -16.213 12.524 1.00 0.00 H new ATOM 0 HG2 GLN A 5 57.067 -16.104 13.869 1.00 0.00 H new ATOM 0 HG3 GLN A 5 57.119 -14.357 13.742 1.00 0.00 H new ATOM 0 HE21 GLN A 5 55.004 -14.829 12.540 1.00 0.00 H new ATOM 0 HE22 GLN A 5 55.131 -15.155 10.808 1.00 0.00 H new ATOM 89 N THR A 6 61.857 -15.924 14.082 1.00 0.00 N ATOM 90 CA THR A 6 63.268 -15.696 13.949 1.00 0.00 C ATOM 91 C THR A 6 63.666 -15.749 12.482 1.00 0.00 C ATOM 92 O THR A 6 63.703 -16.822 11.878 1.00 0.00 O ATOM 93 CB THR A 6 64.017 -16.768 14.732 1.00 0.00 C ATOM 94 OG1 THR A 6 63.328 -17.034 15.946 1.00 0.00 O ATOM 95 CG2 THR A 6 65.415 -16.272 15.039 1.00 0.00 C ATOM 0 H THR A 6 61.574 -16.889 13.914 1.00 0.00 H new ATOM 0 HA THR A 6 63.520 -14.711 14.342 1.00 0.00 H new ATOM 0 HB THR A 6 64.075 -17.683 14.143 1.00 0.00 H new ATOM 0 HG1 THR A 6 63.808 -17.724 16.450 1.00 0.00 H new ATOM 0 HG21 THR A 6 65.957 -17.034 15.599 1.00 0.00 H new ATOM 0 HG22 THR A 6 65.940 -16.065 14.107 1.00 0.00 H new ATOM 0 HG23 THR A 6 65.355 -15.360 15.632 1.00 0.00 H new ATOM 103 N VAL A 7 63.953 -14.587 11.907 1.00 0.00 N ATOM 104 CA VAL A 7 64.335 -14.524 10.498 1.00 0.00 C ATOM 105 C VAL A 7 65.855 -14.439 10.345 1.00 0.00 C ATOM 106 O VAL A 7 66.482 -13.476 10.783 1.00 0.00 O ATOM 107 CB VAL A 7 63.677 -13.301 9.828 1.00 0.00 C ATOM 108 CG1 VAL A 7 63.280 -13.628 8.378 1.00 0.00 C ATOM 109 CG2 VAL A 7 62.426 -12.889 10.616 1.00 0.00 C ATOM 0 H VAL A 7 63.930 -13.686 12.385 1.00 0.00 H new ATOM 0 HA VAL A 7 63.989 -15.436 10.011 1.00 0.00 H new ATOM 0 HB VAL A 7 64.396 -12.481 9.822 1.00 0.00 H new ATOM 0 HG11 VAL A 7 62.817 -12.753 7.921 1.00 0.00 H new ATOM 0 HG12 VAL A 7 64.169 -13.906 7.811 1.00 0.00 H new ATOM 0 HG13 VAL A 7 62.572 -14.457 8.373 1.00 0.00 H new ATOM 0 HG21 VAL A 7 61.964 -12.024 10.139 1.00 0.00 H new ATOM 0 HG22 VAL A 7 61.717 -13.717 10.632 1.00 0.00 H new ATOM 0 HG23 VAL A 7 62.707 -12.633 11.637 1.00 0.00 H new ATOM 119 N GLU A 8 66.442 -15.442 9.700 1.00 0.00 N ATOM 120 CA GLU A 8 67.885 -15.447 9.482 1.00 0.00 C ATOM 121 C GLU A 8 68.239 -14.410 8.425 1.00 0.00 C ATOM 122 O GLU A 8 67.593 -14.345 7.379 1.00 0.00 O ATOM 123 CB GLU A 8 68.344 -16.833 9.023 1.00 0.00 C ATOM 124 CG GLU A 8 67.850 -17.889 10.013 1.00 0.00 C ATOM 125 CD GLU A 8 68.499 -19.235 9.708 1.00 0.00 C ATOM 126 OE1 GLU A 8 67.772 -20.167 9.406 1.00 0.00 O ATOM 127 OE2 GLU A 8 69.715 -19.315 9.780 1.00 0.00 O ATOM 0 H GLU A 8 65.949 -16.252 9.323 1.00 0.00 H new ATOM 0 HA GLU A 8 68.390 -15.202 10.417 1.00 0.00 H new ATOM 0 HB2 GLU A 8 67.956 -17.044 8.026 1.00 0.00 H new ATOM 0 HB3 GLU A 8 69.431 -16.863 8.955 1.00 0.00 H new ATOM 0 HG2 GLU A 8 68.088 -17.584 11.032 1.00 0.00 H new ATOM 0 HG3 GLU A 8 66.765 -17.977 9.952 1.00 0.00 H new ATOM 134 N ILE A 9 69.253 -13.588 8.691 1.00 0.00 N ATOM 135 CA ILE A 9 69.635 -12.562 7.724 1.00 0.00 C ATOM 136 C ILE A 9 70.769 -13.046 6.843 1.00 0.00 C ATOM 137 O ILE A 9 71.583 -13.871 7.257 1.00 0.00 O ATOM 138 CB ILE A 9 70.124 -11.283 8.422 1.00 0.00 C ATOM 139 CG1 ILE A 9 69.583 -11.181 9.862 1.00 0.00 C ATOM 140 CG2 ILE A 9 69.706 -10.059 7.610 1.00 0.00 C ATOM 141 CD1 ILE A 9 68.343 -10.268 9.943 1.00 0.00 C ATOM 0 H ILE A 9 69.811 -13.610 9.544 1.00 0.00 H new ATOM 0 HA ILE A 9 68.744 -12.352 7.132 1.00 0.00 H new ATOM 0 HB ILE A 9 71.212 -11.324 8.482 1.00 0.00 H new ATOM 0 HG12 ILE A 9 69.326 -12.176 10.225 1.00 0.00 H new ATOM 0 HG13 ILE A 9 70.363 -10.794 10.517 1.00 0.00 H new ATOM 0 HG21 ILE A 9 70.055 -9.155 8.109 1.00 0.00 H new ATOM 0 HG22 ILE A 9 70.145 -10.116 6.614 1.00 0.00 H new ATOM 0 HG23 ILE A 9 68.620 -10.031 7.527 1.00 0.00 H new ATOM 0 HD11 ILE A 9 67.992 -10.222 10.974 1.00 0.00 H new ATOM 0 HD12 ILE A 9 68.606 -9.266 9.604 1.00 0.00 H new ATOM 0 HD13 ILE A 9 67.553 -10.670 9.308 1.00 0.00 H new ATOM 311 N ALA A 20 61.532 -1.501 7.053 1.00 0.00 N ATOM 312 CA ALA A 20 61.651 -1.584 8.501 1.00 0.00 C ATOM 313 C ALA A 20 61.080 -0.333 9.129 1.00 0.00 C ATOM 314 O ALA A 20 60.360 -0.395 10.119 1.00 0.00 O ATOM 315 CB ALA A 20 63.112 -1.735 8.905 1.00 0.00 C ATOM 0 HA ALA A 20 61.097 -2.455 8.850 1.00 0.00 H new ATOM 0 HB1 ALA A 20 63.185 -1.796 9.991 1.00 0.00 H new ATOM 0 HB2 ALA A 20 63.520 -2.644 8.463 1.00 0.00 H new ATOM 0 HB3 ALA A 20 63.678 -0.874 8.551 1.00 0.00 H new ATOM 321 N MET A 21 61.398 0.804 8.540 1.00 0.00 N ATOM 322 CA MET A 21 60.891 2.053 9.053 1.00 0.00 C ATOM 323 C MET A 21 59.393 2.121 8.799 1.00 0.00 C ATOM 324 O MET A 21 58.689 2.945 9.383 1.00 0.00 O ATOM 325 CB MET A 21 61.627 3.226 8.411 1.00 0.00 C ATOM 326 CG MET A 21 63.054 3.277 8.977 1.00 0.00 C ATOM 327 SD MET A 21 63.899 4.762 8.376 1.00 0.00 S ATOM 328 CE MET A 21 62.864 5.982 9.225 1.00 0.00 C ATOM 0 H MET A 21 61.997 0.885 7.718 1.00 0.00 H new ATOM 0 HA MET A 21 61.063 2.113 10.128 1.00 0.00 H new ATOM 0 HB2 MET A 21 61.654 3.109 7.328 1.00 0.00 H new ATOM 0 HB3 MET A 21 61.104 4.160 8.618 1.00 0.00 H new ATOM 0 HG2 MET A 21 63.023 3.281 10.067 1.00 0.00 H new ATOM 0 HG3 MET A 21 63.606 2.386 8.677 1.00 0.00 H new ATOM 0 HE1 MET A 21 63.441 6.890 9.401 1.00 0.00 H new ATOM 0 HE2 MET A 21 61.998 6.217 8.607 1.00 0.00 H new ATOM 0 HE3 MET A 21 62.529 5.574 10.179 1.00 0.00 H new ATOM 338 N LYS A 22 58.904 1.216 7.946 1.00 0.00 N ATOM 339 CA LYS A 22 57.478 1.159 7.659 1.00 0.00 C ATOM 340 C LYS A 22 56.746 0.611 8.880 1.00 0.00 C ATOM 341 O LYS A 22 55.732 1.157 9.289 1.00 0.00 O ATOM 342 CB LYS A 22 57.202 0.307 6.404 1.00 0.00 C ATOM 343 CG LYS A 22 56.713 -1.104 6.776 1.00 0.00 C ATOM 344 CD LYS A 22 56.905 -2.046 5.584 1.00 0.00 C ATOM 345 CE LYS A 22 55.988 -3.261 5.738 1.00 0.00 C ATOM 346 NZ LYS A 22 56.203 -3.877 7.078 1.00 0.00 N ATOM 0 H LYS A 22 59.469 0.525 7.452 1.00 0.00 H new ATOM 0 HA LYS A 22 57.109 2.163 7.448 1.00 0.00 H new ATOM 0 HB2 LYS A 22 56.453 0.801 5.785 1.00 0.00 H new ATOM 0 HB3 LYS A 22 58.111 0.232 5.807 1.00 0.00 H new ATOM 0 HG2 LYS A 22 57.266 -1.476 7.639 1.00 0.00 H new ATOM 0 HG3 LYS A 22 55.661 -1.072 7.061 1.00 0.00 H new ATOM 0 HD2 LYS A 22 56.680 -1.523 4.654 1.00 0.00 H new ATOM 0 HD3 LYS A 22 57.945 -2.367 5.525 1.00 0.00 H new ATOM 0 HE2 LYS A 22 54.946 -2.961 5.627 1.00 0.00 H new ATOM 0 HE3 LYS A 22 56.195 -3.989 4.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 56.339 -4.902 6.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 57.047 -3.460 7.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 55.373 -3.699 7.679 1.00 0.00 H new ATOM 360 N LEU A 23 57.305 -0.438 9.492 1.00 0.00 N ATOM 361 CA LEU A 23 56.735 -1.024 10.693 1.00 0.00 C ATOM 362 C LEU A 23 56.110 0.086 11.510 1.00 0.00 C ATOM 363 O LEU A 23 55.019 -0.038 12.055 1.00 0.00 O ATOM 364 CB LEU A 23 57.883 -1.629 11.501 1.00 0.00 C ATOM 365 CG LEU A 23 58.050 -3.127 11.224 1.00 0.00 C ATOM 366 CD1 LEU A 23 58.822 -3.358 9.914 1.00 0.00 C ATOM 367 CD2 LEU A 23 58.844 -3.730 12.376 1.00 0.00 C ATOM 0 H LEU A 23 58.157 -0.896 9.167 1.00 0.00 H new ATOM 0 HA LEU A 23 55.990 -1.780 10.446 1.00 0.00 H new ATOM 0 HB2 LEU A 23 58.810 -1.110 11.259 1.00 0.00 H new ATOM 0 HB3 LEU A 23 57.699 -1.475 12.564 1.00 0.00 H new ATOM 0 HG LEU A 23 57.068 -3.591 11.133 1.00 0.00 H new ATOM 0 HD11 LEU A 23 58.928 -4.428 9.738 1.00 0.00 H new ATOM 0 HD12 LEU A 23 58.276 -2.907 9.086 1.00 0.00 H new ATOM 0 HD13 LEU A 23 59.810 -2.903 9.989 1.00 0.00 H new ATOM 0 HD21 LEU A 23 58.979 -4.798 12.205 1.00 0.00 H new ATOM 0 HD22 LEU A 23 59.819 -3.247 12.438 1.00 0.00 H new ATOM 0 HD23 LEU A 23 58.303 -3.577 13.310 1.00 0.00 H new ATOM 379 N PHE A 24 56.847 1.173 11.571 1.00 0.00 N ATOM 380 CA PHE A 24 56.435 2.347 12.306 1.00 0.00 C ATOM 381 C PHE A 24 55.283 3.061 11.586 1.00 0.00 C ATOM 382 O PHE A 24 54.176 3.189 12.120 1.00 0.00 O ATOM 383 CB PHE A 24 57.646 3.270 12.437 1.00 0.00 C ATOM 384 CG PHE A 24 58.924 2.457 12.624 1.00 0.00 C ATOM 385 CD1 PHE A 24 58.887 1.118 13.067 1.00 0.00 C ATOM 386 CD2 PHE A 24 60.161 3.050 12.334 1.00 0.00 C ATOM 387 CE1 PHE A 24 60.075 0.400 13.211 1.00 0.00 C ATOM 388 CE2 PHE A 24 61.344 2.324 12.487 1.00 0.00 C ATOM 389 CZ PHE A 24 61.300 1.001 12.923 1.00 0.00 C ATOM 0 H PHE A 24 57.752 1.267 11.110 1.00 0.00 H new ATOM 0 HA PHE A 24 56.073 2.063 13.294 1.00 0.00 H new ATOM 0 HB2 PHE A 24 57.732 3.894 11.547 1.00 0.00 H new ATOM 0 HB3 PHE A 24 57.508 3.941 13.285 1.00 0.00 H new ATOM 0 HD1 PHE A 24 57.941 0.649 13.294 1.00 0.00 H new ATOM 0 HD2 PHE A 24 60.199 4.073 11.991 1.00 0.00 H new ATOM 0 HE1 PHE A 24 60.046 -0.626 13.547 1.00 0.00 H new ATOM 0 HE2 PHE A 24 62.294 2.788 12.267 1.00 0.00 H new ATOM 0 HZ PHE A 24 62.216 0.440 13.038 1.00 0.00 H new ATOM 399 N GLU A 25 55.535 3.501 10.360 1.00 0.00 N ATOM 400 CA GLU A 25 54.495 4.169 9.585 1.00 0.00 C ATOM 401 C GLU A 25 53.368 3.187 9.314 1.00 0.00 C ATOM 402 O GLU A 25 52.207 3.569 9.161 1.00 0.00 O ATOM 403 CB GLU A 25 55.064 4.692 8.264 1.00 0.00 C ATOM 404 CG GLU A 25 55.988 5.879 8.542 1.00 0.00 C ATOM 405 CD GLU A 25 55.169 7.082 8.998 1.00 0.00 C ATOM 406 OE1 GLU A 25 55.340 7.495 10.133 1.00 0.00 O ATOM 407 OE2 GLU A 25 54.382 7.572 8.205 1.00 0.00 O ATOM 0 H GLU A 25 56.434 3.410 9.886 1.00 0.00 H new ATOM 0 HA GLU A 25 54.114 5.018 10.153 1.00 0.00 H new ATOM 0 HB2 GLU A 25 55.614 3.901 7.754 1.00 0.00 H new ATOM 0 HB3 GLU A 25 54.254 4.995 7.601 1.00 0.00 H new ATOM 0 HG2 GLU A 25 56.716 5.612 9.309 1.00 0.00 H new ATOM 0 HG3 GLU A 25 56.550 6.131 7.643 1.00 0.00 H new ATOM 414 N LEU A 26 53.727 1.911 9.293 1.00 0.00 N ATOM 415 CA LEU A 26 52.765 0.848 9.085 1.00 0.00 C ATOM 416 C LEU A 26 52.090 0.551 10.408 1.00 0.00 C ATOM 417 O LEU A 26 50.912 0.216 10.452 1.00 0.00 O ATOM 418 CB LEU A 26 53.470 -0.383 8.497 1.00 0.00 C ATOM 419 CG LEU A 26 52.705 -1.658 8.828 1.00 0.00 C ATOM 420 CD1 LEU A 26 52.917 -1.987 10.312 1.00 0.00 C ATOM 421 CD2 LEU A 26 51.203 -1.482 8.499 1.00 0.00 C ATOM 0 H LEU A 26 54.687 1.589 9.419 1.00 0.00 H new ATOM 0 HA LEU A 26 52.000 1.146 8.369 1.00 0.00 H new ATOM 0 HB2 LEU A 26 53.556 -0.276 7.416 1.00 0.00 H new ATOM 0 HB3 LEU A 26 54.484 -0.450 8.892 1.00 0.00 H new ATOM 0 HG LEU A 26 53.076 -2.486 8.224 1.00 0.00 H new ATOM 0 HD11 LEU A 26 52.375 -2.898 10.564 1.00 0.00 H new ATOM 0 HD12 LEU A 26 53.980 -2.133 10.504 1.00 0.00 H new ATOM 0 HD13 LEU A 26 52.547 -1.164 10.924 1.00 0.00 H new ATOM 0 HD21 LEU A 26 50.668 -2.400 8.740 1.00 0.00 H new ATOM 0 HD22 LEU A 26 50.796 -0.659 9.087 1.00 0.00 H new ATOM 0 HD23 LEU A 26 51.086 -1.262 7.438 1.00 0.00 H new ATOM 433 N MET A 27 52.830 0.722 11.498 1.00 0.00 N ATOM 434 CA MET A 27 52.252 0.516 12.810 1.00 0.00 C ATOM 435 C MET A 27 50.968 1.320 12.849 1.00 0.00 C ATOM 436 O MET A 27 49.978 0.924 13.462 1.00 0.00 O ATOM 437 CB MET A 27 53.213 0.989 13.903 1.00 0.00 C ATOM 438 CG MET A 27 53.824 -0.222 14.598 1.00 0.00 C ATOM 439 SD MET A 27 52.514 -1.114 15.474 1.00 0.00 S ATOM 440 CE MET A 27 52.465 -2.613 14.451 1.00 0.00 C ATOM 0 H MET A 27 53.812 0.997 11.496 1.00 0.00 H new ATOM 0 HA MET A 27 52.058 -0.542 12.989 1.00 0.00 H new ATOM 0 HB2 MET A 27 53.998 1.608 13.469 1.00 0.00 H new ATOM 0 HB3 MET A 27 52.682 1.608 14.626 1.00 0.00 H new ATOM 0 HG2 MET A 27 54.302 -0.875 13.868 1.00 0.00 H new ATOM 0 HG3 MET A 27 54.598 0.095 15.297 1.00 0.00 H new ATOM 0 HE1 MET A 27 51.428 -2.893 14.265 1.00 0.00 H new ATOM 0 HE2 MET A 27 52.965 -2.422 13.501 1.00 0.00 H new ATOM 0 HE3 MET A 27 52.973 -3.425 14.971 1.00 0.00 H new ATOM 450 N GLN A 28 50.989 2.442 12.132 1.00 0.00 N ATOM 451 CA GLN A 28 49.808 3.280 12.034 1.00 0.00 C ATOM 452 C GLN A 28 48.765 2.525 11.220 1.00 0.00 C ATOM 453 O GLN A 28 47.578 2.851 11.234 1.00 0.00 O ATOM 454 CB GLN A 28 50.147 4.606 11.351 1.00 0.00 C ATOM 455 CG GLN A 28 51.395 5.210 11.998 1.00 0.00 C ATOM 456 CD GLN A 28 51.128 5.505 13.470 1.00 0.00 C ATOM 457 OE1 GLN A 28 51.113 4.590 14.294 1.00 0.00 O ATOM 458 NE2 GLN A 28 50.915 6.734 13.853 1.00 0.00 N ATOM 0 H GLN A 28 51.802 2.784 11.619 1.00 0.00 H new ATOM 0 HA GLN A 28 49.426 3.505 13.030 1.00 0.00 H new ATOM 0 HB2 GLN A 28 50.318 4.445 10.287 1.00 0.00 H new ATOM 0 HB3 GLN A 28 49.309 5.297 11.439 1.00 0.00 H new ATOM 0 HG2 GLN A 28 52.234 4.521 11.903 1.00 0.00 H new ATOM 0 HG3 GLN A 28 51.676 6.127 11.480 1.00 0.00 H new ATOM 0 HE21 GLN A 28 50.928 7.491 13.169 1.00 0.00 H new ATOM 0 HE22 GLN A 28 50.736 6.938 14.836 1.00 0.00 H new ATOM 467 N GLY A 29 49.241 1.490 10.526 1.00 0.00 N ATOM 468 CA GLY A 29 48.377 0.640 9.707 1.00 0.00 C ATOM 469 C GLY A 29 47.936 -0.579 10.511 1.00 0.00 C ATOM 470 O GLY A 29 46.746 -0.885 10.594 1.00 0.00 O ATOM 0 H GLY A 29 50.225 1.220 10.515 1.00 0.00 H new ATOM 0 HA2 GLY A 29 47.505 1.204 9.377 1.00 0.00 H new ATOM 0 HA3 GLY A 29 48.909 0.322 8.810 1.00 0.00 H new ATOM 474 N PHE A 30 48.905 -1.246 11.134 1.00 0.00 N ATOM 475 CA PHE A 30 48.612 -2.407 11.972 1.00 0.00 C ATOM 476 C PHE A 30 48.771 -2.009 13.430 1.00 0.00 C ATOM 477 O PHE A 30 49.708 -1.296 13.782 1.00 0.00 O ATOM 478 CB PHE A 30 49.573 -3.571 11.713 1.00 0.00 C ATOM 479 CG PHE A 30 49.618 -3.977 10.256 1.00 0.00 C ATOM 480 CD1 PHE A 30 50.856 -4.223 9.679 1.00 0.00 C ATOM 481 CD2 PHE A 30 48.453 -4.144 9.498 1.00 0.00 C ATOM 482 CE1 PHE A 30 50.962 -4.632 8.355 1.00 0.00 C ATOM 483 CE2 PHE A 30 48.551 -4.552 8.159 1.00 0.00 C ATOM 484 CZ PHE A 30 49.812 -4.797 7.587 1.00 0.00 C ATOM 0 H PHE A 30 49.894 -1.005 11.075 1.00 0.00 H new ATOM 0 HA PHE A 30 47.598 -2.729 11.736 1.00 0.00 H new ATOM 0 HB2 PHE A 30 50.574 -3.290 12.039 1.00 0.00 H new ATOM 0 HB3 PHE A 30 49.271 -4.428 12.316 1.00 0.00 H new ATOM 0 HD1 PHE A 30 51.752 -4.094 10.269 1.00 0.00 H new ATOM 0 HD2 PHE A 30 47.485 -3.960 9.941 1.00 0.00 H new ATOM 0 HE1 PHE A 30 51.934 -4.821 7.923 1.00 0.00 H new ATOM 0 HE2 PHE A 30 47.657 -4.678 7.567 1.00 0.00 H new ATOM 0 HZ PHE A 30 49.888 -5.112 6.557 1.00 0.00 H new ATOM 494 N ASP A 31 47.889 -2.501 14.285 1.00 0.00 N ATOM 495 CA ASP A 31 47.989 -2.213 15.697 1.00 0.00 C ATOM 496 C ASP A 31 48.681 -3.387 16.331 1.00 0.00 C ATOM 497 O ASP A 31 48.083 -4.447 16.509 1.00 0.00 O ATOM 498 CB ASP A 31 46.607 -2.010 16.310 1.00 0.00 C ATOM 499 CG ASP A 31 46.740 -1.485 17.735 1.00 0.00 C ATOM 500 OD1 ASP A 31 47.496 -0.548 17.932 1.00 0.00 O ATOM 501 OD2 ASP A 31 46.082 -2.026 18.609 1.00 0.00 O ATOM 0 H ASP A 31 47.103 -3.097 14.024 1.00 0.00 H new ATOM 0 HA ASP A 31 48.548 -1.292 15.864 1.00 0.00 H new ATOM 0 HB2 ASP A 31 46.032 -1.307 15.707 1.00 0.00 H new ATOM 0 HB3 ASP A 31 46.059 -2.952 16.311 1.00 0.00 H new ATOM 506 N ALA A 32 49.956 -3.222 16.618 1.00 0.00 N ATOM 507 CA ALA A 32 50.713 -4.296 17.167 1.00 0.00 C ATOM 508 C ALA A 32 52.055 -3.798 17.630 1.00 0.00 C ATOM 509 O ALA A 32 52.537 -2.760 17.193 1.00 0.00 O ATOM 510 CB ALA A 32 50.889 -5.369 16.107 1.00 0.00 C ATOM 0 H ALA A 32 50.475 -2.355 16.477 1.00 0.00 H new ATOM 0 HA ALA A 32 50.186 -4.715 18.025 1.00 0.00 H new ATOM 0 HB1 ALA A 32 51.468 -6.196 16.519 1.00 0.00 H new ATOM 0 HB2 ALA A 32 49.911 -5.732 15.791 1.00 0.00 H new ATOM 0 HB3 ALA A 32 51.415 -4.950 15.249 1.00 0.00 H new ATOM 516 N GLU A 33 52.644 -4.533 18.530 1.00 0.00 N ATOM 517 CA GLU A 33 53.919 -4.167 19.069 1.00 0.00 C ATOM 518 C GLU A 33 54.984 -5.094 18.536 1.00 0.00 C ATOM 519 O GLU A 33 55.290 -6.133 19.120 1.00 0.00 O ATOM 520 CB GLU A 33 53.815 -4.246 20.565 1.00 0.00 C ATOM 521 CG GLU A 33 54.483 -3.026 21.175 1.00 0.00 C ATOM 522 CD GLU A 33 54.611 -3.191 22.685 1.00 0.00 C ATOM 523 OE1 GLU A 33 54.615 -4.324 23.139 1.00 0.00 O ATOM 524 OE2 GLU A 33 54.702 -2.183 23.366 1.00 0.00 O ATOM 0 H GLU A 33 52.255 -5.397 18.908 1.00 0.00 H new ATOM 0 HA GLU A 33 54.198 -3.155 18.776 1.00 0.00 H new ATOM 0 HB2 GLU A 33 52.769 -4.292 20.867 1.00 0.00 H new ATOM 0 HB3 GLU A 33 54.292 -5.157 20.927 1.00 0.00 H new ATOM 0 HG2 GLU A 33 55.469 -2.884 20.733 1.00 0.00 H new ATOM 0 HG3 GLU A 33 53.901 -2.133 20.948 1.00 0.00 H new ATOM 531 N VAL A 34 55.526 -4.698 17.410 1.00 0.00 N ATOM 532 CA VAL A 34 56.555 -5.486 16.750 1.00 0.00 C ATOM 533 C VAL A 34 57.898 -5.279 17.427 1.00 0.00 C ATOM 534 O VAL A 34 58.419 -4.166 17.450 1.00 0.00 O ATOM 535 CB VAL A 34 56.707 -5.086 15.276 1.00 0.00 C ATOM 536 CG1 VAL A 34 57.266 -6.271 14.475 1.00 0.00 C ATOM 537 CG2 VAL A 34 55.363 -4.640 14.693 1.00 0.00 C ATOM 0 H VAL A 34 55.276 -3.835 16.926 1.00 0.00 H new ATOM 0 HA VAL A 34 56.248 -6.530 16.817 1.00 0.00 H new ATOM 0 HB VAL A 34 57.400 -4.247 15.210 1.00 0.00 H new ATOM 0 HG11 VAL A 34 57.373 -5.985 13.429 1.00 0.00 H new ATOM 0 HG12 VAL A 34 58.240 -6.554 14.875 1.00 0.00 H new ATOM 0 HG13 VAL A 34 56.583 -7.117 14.552 1.00 0.00 H new ATOM 0 HG21 VAL A 34 55.494 -4.361 13.648 1.00 0.00 H new ATOM 0 HG22 VAL A 34 54.647 -5.458 14.763 1.00 0.00 H new ATOM 0 HG23 VAL A 34 54.990 -3.782 15.253 1.00 0.00 H new ATOM 547 N LEU A 35 58.471 -6.349 17.962 1.00 0.00 N ATOM 548 CA LEU A 35 59.767 -6.236 18.609 1.00 0.00 C ATOM 549 C LEU A 35 60.819 -6.979 17.789 1.00 0.00 C ATOM 550 O LEU A 35 60.698 -8.177 17.533 1.00 0.00 O ATOM 551 CB LEU A 35 59.679 -6.792 20.036 1.00 0.00 C ATOM 552 CG LEU A 35 61.070 -7.008 20.667 1.00 0.00 C ATOM 553 CD1 LEU A 35 61.748 -8.263 20.090 1.00 0.00 C ATOM 554 CD2 LEU A 35 61.955 -5.779 20.430 1.00 0.00 C ATOM 0 H LEU A 35 58.068 -7.286 17.961 1.00 0.00 H new ATOM 0 HA LEU A 35 60.061 -5.188 18.668 1.00 0.00 H new ATOM 0 HB2 LEU A 35 59.104 -6.105 20.656 1.00 0.00 H new ATOM 0 HB3 LEU A 35 59.138 -7.738 20.022 1.00 0.00 H new ATOM 0 HG LEU A 35 60.937 -7.152 21.739 1.00 0.00 H new ATOM 0 HD11 LEU A 35 62.727 -8.392 20.551 1.00 0.00 H new ATOM 0 HD12 LEU A 35 61.131 -9.137 20.297 1.00 0.00 H new ATOM 0 HD13 LEU A 35 61.867 -8.149 19.012 1.00 0.00 H new ATOM 0 HD21 LEU A 35 62.934 -5.943 20.880 1.00 0.00 H new ATOM 0 HD22 LEU A 35 62.071 -5.615 19.359 1.00 0.00 H new ATOM 0 HD23 LEU A 35 61.490 -4.903 20.883 1.00 0.00 H new ATOM 566 N LEU A 36 61.837 -6.244 17.364 1.00 0.00 N ATOM 567 CA LEU A 36 62.918 -6.800 16.553 1.00 0.00 C ATOM 568 C LEU A 36 64.176 -7.022 17.385 1.00 0.00 C ATOM 569 O LEU A 36 64.683 -6.096 18.006 1.00 0.00 O ATOM 570 CB LEU A 36 63.242 -5.821 15.433 1.00 0.00 C ATOM 571 CG LEU A 36 62.231 -5.978 14.301 1.00 0.00 C ATOM 572 CD1 LEU A 36 60.811 -5.799 14.846 1.00 0.00 C ATOM 573 CD2 LEU A 36 62.502 -4.913 13.247 1.00 0.00 C ATOM 0 H LEU A 36 61.939 -5.250 17.569 1.00 0.00 H new ATOM 0 HA LEU A 36 62.592 -7.760 16.154 1.00 0.00 H new ATOM 0 HB2 LEU A 36 63.221 -4.800 15.813 1.00 0.00 H new ATOM 0 HB3 LEU A 36 64.250 -6.001 15.060 1.00 0.00 H new ATOM 0 HG LEU A 36 62.325 -6.972 13.863 1.00 0.00 H new ATOM 0 HD11 LEU A 36 60.093 -5.912 14.034 1.00 0.00 H new ATOM 0 HD12 LEU A 36 60.617 -6.552 15.610 1.00 0.00 H new ATOM 0 HD13 LEU A 36 60.711 -4.805 15.283 1.00 0.00 H new ATOM 0 HD21 LEU A 36 61.785 -5.016 12.433 1.00 0.00 H new ATOM 0 HD22 LEU A 36 62.403 -3.924 13.695 1.00 0.00 H new ATOM 0 HD23 LEU A 36 63.513 -5.035 12.858 1.00 0.00 H new ATOM 585 N ARG A 37 64.682 -8.249 17.385 1.00 0.00 N ATOM 586 CA ARG A 37 65.876 -8.572 18.125 1.00 0.00 C ATOM 587 C ARG A 37 66.656 -9.659 17.436 1.00 0.00 C ATOM 588 O ARG A 37 66.125 -10.381 16.603 1.00 0.00 O ATOM 589 CB ARG A 37 65.537 -9.037 19.524 1.00 0.00 C ATOM 590 CG ARG A 37 64.872 -10.421 19.484 1.00 0.00 C ATOM 591 CD ARG A 37 65.815 -11.479 20.074 1.00 0.00 C ATOM 592 NE ARG A 37 65.057 -12.649 20.503 1.00 0.00 N ATOM 593 CZ ARG A 37 65.665 -13.800 20.770 1.00 0.00 C ATOM 594 NH1 ARG A 37 64.969 -14.829 21.168 1.00 0.00 N ATOM 595 NH2 ARG A 37 66.959 -13.901 20.635 1.00 0.00 N ATOM 0 H ARG A 37 64.275 -9.034 16.876 1.00 0.00 H new ATOM 0 HA ARG A 37 66.478 -7.665 18.177 1.00 0.00 H new ATOM 0 HB2 ARG A 37 66.443 -9.079 20.129 1.00 0.00 H new ATOM 0 HB3 ARG A 37 64.869 -8.319 20.000 1.00 0.00 H new ATOM 0 HG2 ARG A 37 63.939 -10.401 20.047 1.00 0.00 H new ATOM 0 HG3 ARG A 37 64.619 -10.681 18.456 1.00 0.00 H new ATOM 0 HD2 ARG A 37 66.557 -11.770 19.330 1.00 0.00 H new ATOM 0 HD3 ARG A 37 66.360 -11.060 20.920 1.00 0.00 H new ATOM 0 HE ARG A 37 64.044 -12.583 20.600 1.00 0.00 H new ATOM 0 HH11 ARG A 37 63.958 -14.750 21.274 1.00 0.00 H new ATOM 0 HH12 ARG A 37 65.436 -15.712 21.373 1.00 0.00 H new ATOM 0 HH21 ARG A 37 67.504 -13.096 20.325 1.00 0.00 H new ATOM 0 HH22 ARG A 37 67.426 -14.784 20.840 1.00 0.00 H new ATOM 609 N ASN A 38 67.907 -9.790 17.819 1.00 0.00 N ATOM 610 CA ASN A 38 68.751 -10.828 17.242 1.00 0.00 C ATOM 611 C ASN A 38 69.132 -11.869 18.260 1.00 0.00 C ATOM 612 O ASN A 38 69.346 -11.577 19.444 1.00 0.00 O ATOM 613 CB ASN A 38 70.027 -10.281 16.610 1.00 0.00 C ATOM 614 CG ASN A 38 70.206 -8.814 16.892 1.00 0.00 C ATOM 615 OD1 ASN A 38 69.276 -8.134 17.306 1.00 0.00 O ATOM 616 ND2 ASN A 38 71.377 -8.287 16.699 1.00 0.00 N ATOM 0 H ASN A 38 68.363 -9.203 18.517 1.00 0.00 H new ATOM 0 HA ASN A 38 68.143 -11.280 16.458 1.00 0.00 H new ATOM 0 HB2 ASN A 38 70.887 -10.832 16.992 1.00 0.00 H new ATOM 0 HB3 ASN A 38 69.997 -10.443 15.533 1.00 0.00 H new ATOM 0 HD21 ASN A 38 71.529 -7.297 16.893 1.00 0.00 H new ATOM 0 HD22 ASN A 38 72.145 -8.863 16.354 1.00 0.00 H new ATOM 623 N ASP A 39 69.237 -13.081 17.747 1.00 0.00 N ATOM 624 CA ASP A 39 69.613 -14.233 18.558 1.00 0.00 C ATOM 625 C ASP A 39 70.818 -13.898 19.427 1.00 0.00 C ATOM 626 O ASP A 39 71.144 -14.628 20.363 1.00 0.00 O ATOM 627 CB ASP A 39 69.946 -15.422 17.655 1.00 0.00 C ATOM 628 CG ASP A 39 70.405 -16.605 18.500 1.00 0.00 C ATOM 629 OD1 ASP A 39 71.556 -16.608 18.904 1.00 0.00 O ATOM 630 OD2 ASP A 39 69.599 -17.491 18.731 1.00 0.00 O ATOM 0 H ASP A 39 69.066 -13.298 16.765 1.00 0.00 H new ATOM 0 HA ASP A 39 68.773 -14.493 19.202 1.00 0.00 H new ATOM 0 HB2 ASP A 39 69.070 -15.701 17.069 1.00 0.00 H new ATOM 0 HB3 ASP A 39 70.728 -15.145 16.948 1.00 0.00 H new ATOM 635 N GLU A 40 71.474 -12.790 19.108 1.00 0.00 N ATOM 636 CA GLU A 40 72.643 -12.362 19.863 1.00 0.00 C ATOM 637 C GLU A 40 72.225 -11.767 21.201 1.00 0.00 C ATOM 638 O GLU A 40 73.056 -11.553 22.083 1.00 0.00 O ATOM 639 CB GLU A 40 73.416 -11.310 19.064 1.00 0.00 C ATOM 640 CG GLU A 40 74.439 -11.995 18.159 1.00 0.00 C ATOM 641 CD GLU A 40 75.562 -12.597 18.997 1.00 0.00 C ATOM 642 OE1 GLU A 40 75.546 -12.403 20.201 1.00 0.00 O ATOM 643 OE2 GLU A 40 76.422 -13.244 18.422 1.00 0.00 O ATOM 0 H GLU A 40 71.218 -12.175 18.336 1.00 0.00 H new ATOM 0 HA GLU A 40 73.277 -13.230 20.042 1.00 0.00 H new ATOM 0 HB2 GLU A 40 72.726 -10.717 18.464 1.00 0.00 H new ATOM 0 HB3 GLU A 40 73.920 -10.623 19.743 1.00 0.00 H new ATOM 0 HG2 GLU A 40 73.953 -12.776 17.574 1.00 0.00 H new ATOM 0 HG3 GLU A 40 74.849 -11.275 17.451 1.00 0.00 H new ATOM 650 N GLY A 41 70.936 -11.486 21.340 1.00 0.00 N ATOM 651 CA GLY A 41 70.424 -10.897 22.568 1.00 0.00 C ATOM 652 C GLY A 41 70.226 -9.401 22.380 1.00 0.00 C ATOM 653 O GLY A 41 69.927 -8.677 23.330 1.00 0.00 O ATOM 0 H GLY A 41 70.231 -11.655 20.623 1.00 0.00 H new ATOM 0 HA2 GLY A 41 69.479 -11.367 22.840 1.00 0.00 H new ATOM 0 HA3 GLY A 41 71.119 -11.081 23.387 1.00 0.00 H new ATOM 657 N THR A 42 70.374 -8.948 21.137 1.00 0.00 N ATOM 658 CA THR A 42 70.186 -7.530 20.827 1.00 0.00 C ATOM 659 C THR A 42 68.719 -7.305 20.506 1.00 0.00 C ATOM 660 O THR A 42 68.139 -8.055 19.727 1.00 0.00 O ATOM 661 CB THR A 42 71.074 -7.116 19.645 1.00 0.00 C ATOM 662 OG1 THR A 42 72.333 -6.680 20.139 1.00 0.00 O ATOM 663 CG2 THR A 42 70.418 -5.977 18.853 1.00 0.00 C ATOM 0 H THR A 42 70.620 -9.531 20.337 1.00 0.00 H new ATOM 0 HA THR A 42 70.474 -6.918 21.682 1.00 0.00 H new ATOM 0 HB THR A 42 71.206 -7.973 18.984 1.00 0.00 H new ATOM 0 HG1 THR A 42 72.905 -6.416 19.389 1.00 0.00 H new ATOM 0 HG21 THR A 42 71.061 -5.696 18.019 1.00 0.00 H new ATOM 0 HG22 THR A 42 69.452 -6.308 18.471 1.00 0.00 H new ATOM 0 HG23 THR A 42 70.274 -5.116 19.506 1.00 0.00 H new ATOM 671 N GLU A 43 68.112 -6.298 21.128 1.00 0.00 N ATOM 672 CA GLU A 43 66.688 -6.041 20.913 1.00 0.00 C ATOM 673 C GLU A 43 66.411 -4.648 20.358 1.00 0.00 C ATOM 674 O GLU A 43 66.959 -3.650 20.825 1.00 0.00 O ATOM 675 CB GLU A 43 65.923 -6.230 22.231 1.00 0.00 C ATOM 676 CG GLU A 43 66.816 -5.839 23.412 1.00 0.00 C ATOM 677 CD GLU A 43 67.292 -4.399 23.257 1.00 0.00 C ATOM 678 OE1 GLU A 43 66.502 -3.505 23.511 1.00 0.00 O ATOM 679 OE2 GLU A 43 68.439 -4.211 22.887 1.00 0.00 O ATOM 0 H GLU A 43 68.572 -5.656 21.774 1.00 0.00 H new ATOM 0 HA GLU A 43 66.346 -6.757 20.166 1.00 0.00 H new ATOM 0 HB2 GLU A 43 65.020 -5.619 22.228 1.00 0.00 H new ATOM 0 HB3 GLU A 43 65.605 -7.268 22.332 1.00 0.00 H new ATOM 0 HG2 GLU A 43 66.265 -5.949 24.346 1.00 0.00 H new ATOM 0 HG3 GLU A 43 67.674 -6.509 23.467 1.00 0.00 H new ATOM 686 N ALA A 44 65.535 -4.607 19.355 1.00 0.00 N ATOM 687 CA ALA A 44 65.146 -3.359 18.721 1.00 0.00 C ATOM 688 C ALA A 44 63.630 -3.208 18.708 1.00 0.00 C ATOM 689 O ALA A 44 62.919 -4.031 18.133 1.00 0.00 O ATOM 690 CB ALA A 44 65.660 -3.334 17.283 1.00 0.00 C ATOM 0 H ALA A 44 65.081 -5.433 18.965 1.00 0.00 H new ATOM 0 HA ALA A 44 65.579 -2.536 19.290 1.00 0.00 H new ATOM 0 HB1 ALA A 44 65.368 -2.397 16.808 1.00 0.00 H new ATOM 0 HB2 ALA A 44 66.747 -3.417 17.284 1.00 0.00 H new ATOM 0 HB3 ALA A 44 65.233 -4.170 16.729 1.00 0.00 H new ATOM 696 N GLU A 45 63.144 -2.139 19.327 1.00 0.00 N ATOM 697 CA GLU A 45 61.714 -1.881 19.360 1.00 0.00 C ATOM 698 C GLU A 45 61.280 -1.253 18.047 1.00 0.00 C ATOM 699 O GLU A 45 61.643 -0.116 17.749 1.00 0.00 O ATOM 700 CB GLU A 45 61.385 -0.933 20.512 1.00 0.00 C ATOM 701 CG GLU A 45 61.372 -1.717 21.821 1.00 0.00 C ATOM 702 CD GLU A 45 61.138 -0.773 22.995 1.00 0.00 C ATOM 703 OE1 GLU A 45 59.994 -0.628 23.394 1.00 0.00 O ATOM 704 OE2 GLU A 45 62.106 -0.210 23.479 1.00 0.00 O ATOM 0 H GLU A 45 63.715 -1.444 19.808 1.00 0.00 H new ATOM 0 HA GLU A 45 61.184 -2.822 19.506 1.00 0.00 H new ATOM 0 HB2 GLU A 45 62.123 -0.132 20.561 1.00 0.00 H new ATOM 0 HB3 GLU A 45 60.415 -0.463 20.346 1.00 0.00 H new ATOM 0 HG2 GLU A 45 60.589 -2.475 21.792 1.00 0.00 H new ATOM 0 HG3 GLU A 45 62.319 -2.241 21.949 1.00 0.00 H new ATOM 711 N ALA A 46 60.511 -1.994 17.258 1.00 0.00 N ATOM 712 CA ALA A 46 60.054 -1.481 15.981 1.00 0.00 C ATOM 713 C ALA A 46 59.612 -0.031 16.106 1.00 0.00 C ATOM 714 O ALA A 46 58.449 0.252 16.393 1.00 0.00 O ATOM 715 CB ALA A 46 58.894 -2.314 15.481 1.00 0.00 C ATOM 0 H ALA A 46 60.197 -2.939 17.479 1.00 0.00 H new ATOM 0 HA ALA A 46 60.883 -1.536 15.275 1.00 0.00 H new ATOM 0 HB1 ALA A 46 58.554 -1.925 14.521 1.00 0.00 H new ATOM 0 HB2 ALA A 46 59.215 -3.349 15.360 1.00 0.00 H new ATOM 0 HB3 ALA A 46 58.077 -2.269 16.201 1.00 0.00 H new ATOM 721 N ASN A 47 60.554 0.876 15.894 1.00 0.00 N ATOM 722 CA ASN A 47 60.285 2.305 15.985 1.00 0.00 C ATOM 723 C ASN A 47 61.582 3.031 16.307 1.00 0.00 C ATOM 724 O ASN A 47 61.733 4.218 16.018 1.00 0.00 O ATOM 725 CB ASN A 47 59.239 2.592 17.074 1.00 0.00 C ATOM 726 CG ASN A 47 59.405 4.009 17.618 1.00 0.00 C ATOM 727 OD1 ASN A 47 59.392 4.974 16.855 1.00 0.00 O ATOM 728 ND2 ASN A 47 59.563 4.190 18.901 1.00 0.00 N ATOM 0 H ASN A 47 61.519 0.646 15.656 1.00 0.00 H new ATOM 0 HA ASN A 47 59.889 2.657 15.032 1.00 0.00 H new ATOM 0 HB2 ASN A 47 58.236 2.469 16.664 1.00 0.00 H new ATOM 0 HB3 ASN A 47 59.343 1.871 17.885 1.00 0.00 H new ATOM 0 HD21 ASN A 47 59.676 5.133 19.273 1.00 0.00 H new ATOM 0 HD22 ASN A 47 59.573 3.388 19.532 1.00 0.00 H new ATOM 735 N SER A 48 62.521 2.301 16.905 1.00 0.00 N ATOM 736 CA SER A 48 63.807 2.879 17.260 1.00 0.00 C ATOM 737 C SER A 48 64.835 2.591 16.170 1.00 0.00 C ATOM 738 O SER A 48 65.640 1.668 16.294 1.00 0.00 O ATOM 739 CB SER A 48 64.283 2.293 18.587 1.00 0.00 C ATOM 740 OG SER A 48 63.569 2.906 19.653 1.00 0.00 O ATOM 0 H SER A 48 62.414 1.317 17.151 1.00 0.00 H new ATOM 0 HA SER A 48 63.695 3.959 17.359 1.00 0.00 H new ATOM 0 HB2 SER A 48 64.124 1.215 18.600 1.00 0.00 H new ATOM 0 HB3 SER A 48 65.354 2.459 18.708 1.00 0.00 H new ATOM 0 HG SER A 48 63.871 2.531 20.507 1.00 0.00 H new ATOM 746 N VAL A 49 64.803 3.383 15.100 1.00 0.00 N ATOM 747 CA VAL A 49 65.742 3.193 13.997 1.00 0.00 C ATOM 748 C VAL A 49 67.144 2.951 14.543 1.00 0.00 C ATOM 749 O VAL A 49 67.933 2.209 13.957 1.00 0.00 O ATOM 750 CB VAL A 49 65.756 4.423 13.082 1.00 0.00 C ATOM 751 CG1 VAL A 49 65.799 3.982 11.615 1.00 0.00 C ATOM 752 CG2 VAL A 49 64.495 5.258 13.321 1.00 0.00 C ATOM 0 H VAL A 49 64.146 4.153 14.974 1.00 0.00 H new ATOM 0 HA VAL A 49 65.421 2.327 13.419 1.00 0.00 H new ATOM 0 HB VAL A 49 66.639 5.021 13.306 1.00 0.00 H new ATOM 0 HG11 VAL A 49 65.809 4.861 10.971 1.00 0.00 H new ATOM 0 HG12 VAL A 49 66.699 3.393 11.438 1.00 0.00 H new ATOM 0 HG13 VAL A 49 64.920 3.378 11.391 1.00 0.00 H new ATOM 0 HG21 VAL A 49 64.508 6.131 12.669 1.00 0.00 H new ATOM 0 HG22 VAL A 49 63.613 4.656 13.103 1.00 0.00 H new ATOM 0 HG23 VAL A 49 64.465 5.582 14.361 1.00 0.00 H new ATOM 762 N ILE A 50 67.438 3.574 15.678 1.00 0.00 N ATOM 763 CA ILE A 50 68.718 3.427 16.314 1.00 0.00 C ATOM 764 C ILE A 50 68.946 1.960 16.616 1.00 0.00 C ATOM 765 O ILE A 50 70.042 1.427 16.437 1.00 0.00 O ATOM 766 CB ILE A 50 68.680 4.265 17.596 1.00 0.00 C ATOM 767 CG1 ILE A 50 69.836 5.267 17.605 1.00 0.00 C ATOM 768 CG2 ILE A 50 68.743 3.379 18.833 1.00 0.00 C ATOM 769 CD1 ILE A 50 71.176 4.534 17.461 1.00 0.00 C ATOM 0 H ILE A 50 66.792 4.190 16.172 1.00 0.00 H new ATOM 0 HA ILE A 50 69.536 3.768 15.680 1.00 0.00 H new ATOM 0 HB ILE A 50 67.736 4.809 17.617 1.00 0.00 H new ATOM 0 HG12 ILE A 50 69.714 5.980 16.790 1.00 0.00 H new ATOM 0 HG13 ILE A 50 69.824 5.838 18.533 1.00 0.00 H new ATOM 0 HG21 ILE A 50 68.714 4.001 19.728 1.00 0.00 H new ATOM 0 HG22 ILE A 50 67.892 2.698 18.837 1.00 0.00 H new ATOM 0 HG23 ILE A 50 69.668 2.803 18.821 1.00 0.00 H new ATOM 0 HD11 ILE A 50 71.990 5.259 17.469 1.00 0.00 H new ATOM 0 HD12 ILE A 50 71.301 3.839 18.291 1.00 0.00 H new ATOM 0 HD13 ILE A 50 71.190 3.983 16.521 1.00 0.00 H new ATOM 781 N ALA A 51 67.883 1.316 17.064 1.00 0.00 N ATOM 782 CA ALA A 51 67.936 -0.085 17.381 1.00 0.00 C ATOM 783 C ALA A 51 68.121 -0.883 16.100 1.00 0.00 C ATOM 784 O ALA A 51 69.049 -1.681 15.987 1.00 0.00 O ATOM 785 CB ALA A 51 66.646 -0.483 18.094 1.00 0.00 C ATOM 0 H ALA A 51 66.972 1.750 17.214 1.00 0.00 H new ATOM 0 HA ALA A 51 68.778 -0.294 18.041 1.00 0.00 H new ATOM 0 HB1 ALA A 51 66.678 -1.545 18.338 1.00 0.00 H new ATOM 0 HB2 ALA A 51 66.543 0.097 19.011 1.00 0.00 H new ATOM 0 HB3 ALA A 51 65.795 -0.286 17.443 1.00 0.00 H new ATOM 791 N LEU A 52 67.256 -0.632 15.121 1.00 0.00 N ATOM 792 CA LEU A 52 67.360 -1.309 13.842 1.00 0.00 C ATOM 793 C LEU A 52 68.787 -1.181 13.330 1.00 0.00 C ATOM 794 O LEU A 52 69.291 -2.060 12.630 1.00 0.00 O ATOM 795 CB LEU A 52 66.363 -0.705 12.850 1.00 0.00 C ATOM 796 CG LEU A 52 64.962 -1.291 13.104 1.00 0.00 C ATOM 797 CD1 LEU A 52 64.284 -0.531 14.244 1.00 0.00 C ATOM 798 CD2 LEU A 52 64.109 -1.170 11.837 1.00 0.00 C ATOM 0 H LEU A 52 66.483 0.030 15.192 1.00 0.00 H new ATOM 0 HA LEU A 52 67.120 -2.366 13.957 1.00 0.00 H new ATOM 0 HB2 LEU A 52 66.340 0.379 12.957 1.00 0.00 H new ATOM 0 HB3 LEU A 52 66.677 -0.917 11.828 1.00 0.00 H new ATOM 0 HG LEU A 52 65.061 -2.342 13.374 1.00 0.00 H new ATOM 0 HD11 LEU A 52 63.293 -0.949 14.421 1.00 0.00 H new ATOM 0 HD12 LEU A 52 64.883 -0.623 15.150 1.00 0.00 H new ATOM 0 HD13 LEU A 52 64.192 0.521 13.975 1.00 0.00 H new ATOM 0 HD21 LEU A 52 63.119 -1.586 12.024 1.00 0.00 H new ATOM 0 HD22 LEU A 52 64.015 -0.120 11.561 1.00 0.00 H new ATOM 0 HD23 LEU A 52 64.586 -1.718 11.024 1.00 0.00 H new ATOM 810 N LEU A 53 69.445 -0.091 13.715 1.00 0.00 N ATOM 811 CA LEU A 53 70.828 0.128 13.324 1.00 0.00 C ATOM 812 C LEU A 53 71.727 -0.867 14.059 1.00 0.00 C ATOM 813 O LEU A 53 72.790 -1.250 13.569 1.00 0.00 O ATOM 814 CB LEU A 53 71.237 1.559 13.687 1.00 0.00 C ATOM 815 CG LEU A 53 72.173 2.126 12.616 1.00 0.00 C ATOM 816 CD1 LEU A 53 72.567 3.556 12.992 1.00 0.00 C ATOM 817 CD2 LEU A 53 73.430 1.257 12.522 1.00 0.00 C ATOM 0 H LEU A 53 69.044 0.647 14.293 1.00 0.00 H new ATOM 0 HA LEU A 53 70.933 -0.017 12.249 1.00 0.00 H new ATOM 0 HB2 LEU A 53 70.351 2.187 13.776 1.00 0.00 H new ATOM 0 HB3 LEU A 53 71.734 1.569 14.657 1.00 0.00 H new ATOM 0 HG LEU A 53 71.664 2.130 11.652 1.00 0.00 H new ATOM 0 HD11 LEU A 53 73.233 3.962 12.231 1.00 0.00 H new ATOM 0 HD12 LEU A 53 71.672 4.175 13.058 1.00 0.00 H new ATOM 0 HD13 LEU A 53 73.077 3.552 13.956 1.00 0.00 H new ATOM 0 HD21 LEU A 53 74.096 1.661 11.759 1.00 0.00 H new ATOM 0 HD22 LEU A 53 73.942 1.252 13.484 1.00 0.00 H new ATOM 0 HD23 LEU A 53 73.149 0.238 12.255 1.00 0.00 H new ATOM 829 N MET A 54 71.284 -1.268 15.247 1.00 0.00 N ATOM 830 CA MET A 54 72.038 -2.213 16.073 1.00 0.00 C ATOM 831 C MET A 54 72.174 -3.572 15.390 1.00 0.00 C ATOM 832 O MET A 54 73.281 -4.075 15.193 1.00 0.00 O ATOM 833 CB MET A 54 71.327 -2.415 17.416 1.00 0.00 C ATOM 834 CG MET A 54 72.272 -3.121 18.393 1.00 0.00 C ATOM 835 SD MET A 54 73.450 -1.924 19.068 1.00 0.00 S ATOM 836 CE MET A 54 72.568 -1.575 20.609 1.00 0.00 C ATOM 0 H MET A 54 70.406 -0.955 15.662 1.00 0.00 H new ATOM 0 HA MET A 54 73.032 -1.792 16.224 1.00 0.00 H new ATOM 0 HB2 MET A 54 71.017 -1.453 17.824 1.00 0.00 H new ATOM 0 HB3 MET A 54 70.423 -3.007 17.276 1.00 0.00 H new ATOM 0 HG2 MET A 54 71.701 -3.580 19.200 1.00 0.00 H new ATOM 0 HG3 MET A 54 72.805 -3.924 17.884 1.00 0.00 H new ATOM 0 HE1 MET A 54 73.129 -0.845 21.192 1.00 0.00 H new ATOM 0 HE2 MET A 54 71.580 -1.174 20.380 1.00 0.00 H new ATOM 0 HE3 MET A 54 72.462 -2.495 21.184 1.00 0.00 H new ATOM 846 N LEU A 55 71.037 -4.168 15.055 1.00 0.00 N ATOM 847 CA LEU A 55 71.018 -5.484 14.419 1.00 0.00 C ATOM 848 C LEU A 55 71.340 -5.377 12.929 1.00 0.00 C ATOM 849 O LEU A 55 71.562 -6.386 12.260 1.00 0.00 O ATOM 850 CB LEU A 55 69.652 -6.160 14.639 1.00 0.00 C ATOM 851 CG LEU A 55 68.813 -5.338 15.623 1.00 0.00 C ATOM 852 CD1 LEU A 55 68.198 -4.161 14.884 1.00 0.00 C ATOM 853 CD2 LEU A 55 67.681 -6.190 16.214 1.00 0.00 C ATOM 0 H LEU A 55 70.114 -3.763 15.212 1.00 0.00 H new ATOM 0 HA LEU A 55 71.789 -6.101 14.880 1.00 0.00 H new ATOM 0 HB2 LEU A 55 69.126 -6.253 13.689 1.00 0.00 H new ATOM 0 HB3 LEU A 55 69.794 -7.169 15.025 1.00 0.00 H new ATOM 0 HG LEU A 55 69.459 -4.994 16.431 1.00 0.00 H new ATOM 0 HD11 LEU A 55 67.599 -3.570 15.576 1.00 0.00 H new ATOM 0 HD12 LEU A 55 68.990 -3.539 14.467 1.00 0.00 H new ATOM 0 HD13 LEU A 55 67.563 -4.529 14.078 1.00 0.00 H new ATOM 0 HD21 LEU A 55 67.097 -5.587 16.910 1.00 0.00 H new ATOM 0 HD22 LEU A 55 67.035 -6.544 15.411 1.00 0.00 H new ATOM 0 HD23 LEU A 55 68.106 -7.044 16.741 1.00 0.00 H new ATOM 865 N ASP A 56 71.379 -4.152 12.421 1.00 0.00 N ATOM 866 CA ASP A 56 71.696 -3.928 11.017 1.00 0.00 C ATOM 867 C ASP A 56 72.972 -4.673 10.671 1.00 0.00 C ATOM 868 O ASP A 56 73.051 -5.361 9.653 1.00 0.00 O ATOM 869 CB ASP A 56 71.879 -2.434 10.746 1.00 0.00 C ATOM 870 CG ASP A 56 72.288 -2.213 9.294 1.00 0.00 C ATOM 871 OD1 ASP A 56 72.599 -1.084 8.952 1.00 0.00 O ATOM 872 OD2 ASP A 56 72.285 -3.177 8.546 1.00 0.00 O ATOM 0 H ASP A 56 71.196 -3.303 12.956 1.00 0.00 H new ATOM 0 HA ASP A 56 70.876 -4.295 10.400 1.00 0.00 H new ATOM 0 HB2 ASP A 56 70.951 -1.902 10.956 1.00 0.00 H new ATOM 0 HB3 ASP A 56 72.639 -2.026 11.412 1.00 0.00 H new ATOM 877 N SER A 57 73.965 -4.547 11.545 1.00 0.00 N ATOM 878 CA SER A 57 75.229 -5.231 11.344 1.00 0.00 C ATOM 879 C SER A 57 75.007 -6.733 11.438 1.00 0.00 C ATOM 880 O SER A 57 75.939 -7.517 11.279 1.00 0.00 O ATOM 881 CB SER A 57 76.242 -4.790 12.401 1.00 0.00 C ATOM 882 OG SER A 57 75.691 -5.001 13.695 1.00 0.00 O ATOM 0 H SER A 57 73.916 -3.981 12.392 1.00 0.00 H new ATOM 0 HA SER A 57 75.621 -4.979 10.358 1.00 0.00 H new ATOM 0 HB2 SER A 57 77.169 -5.353 12.291 1.00 0.00 H new ATOM 0 HB3 SER A 57 76.491 -3.737 12.266 1.00 0.00 H new ATOM 0 HG SER A 57 76.338 -4.721 14.376 1.00 0.00 H new ATOM 888 N ALA A 58 73.753 -7.112 11.704 1.00 0.00 N ATOM 889 CA ALA A 58 73.365 -8.527 11.827 1.00 0.00 C ATOM 890 C ALA A 58 74.481 -9.475 11.365 1.00 0.00 C ATOM 891 O ALA A 58 74.931 -10.333 12.117 1.00 0.00 O ATOM 892 CB ALA A 58 72.093 -8.773 11.009 1.00 0.00 C ATOM 0 H ALA A 58 72.983 -6.457 11.839 1.00 0.00 H new ATOM 0 HA ALA A 58 73.181 -8.737 12.881 1.00 0.00 H new ATOM 0 HB1 ALA A 58 71.801 -9.820 11.096 1.00 0.00 H new ATOM 0 HB2 ALA A 58 71.290 -8.139 11.386 1.00 0.00 H new ATOM 0 HB3 ALA A 58 72.282 -8.535 9.962 1.00 0.00 H new ATOM 898 N LYS A 59 74.928 -9.296 10.133 1.00 0.00 N ATOM 899 CA LYS A 59 76.003 -10.112 9.573 1.00 0.00 C ATOM 900 C LYS A 59 75.871 -11.599 9.926 1.00 0.00 C ATOM 901 O LYS A 59 76.729 -12.155 10.612 1.00 0.00 O ATOM 902 CB LYS A 59 77.347 -9.588 10.078 1.00 0.00 C ATOM 903 CG LYS A 59 77.736 -8.331 9.292 1.00 0.00 C ATOM 904 CD LYS A 59 78.790 -7.543 10.071 1.00 0.00 C ATOM 905 CE LYS A 59 79.154 -6.276 9.295 1.00 0.00 C ATOM 906 NZ LYS A 59 79.780 -6.652 7.995 1.00 0.00 N ATOM 0 H LYS A 59 74.563 -8.589 9.495 1.00 0.00 H new ATOM 0 HA LYS A 59 75.937 -10.034 8.488 1.00 0.00 H new ATOM 0 HB2 LYS A 59 77.283 -9.359 11.142 1.00 0.00 H new ATOM 0 HB3 LYS A 59 78.114 -10.354 9.962 1.00 0.00 H new ATOM 0 HG2 LYS A 59 78.126 -8.609 8.313 1.00 0.00 H new ATOM 0 HG3 LYS A 59 76.856 -7.710 9.121 1.00 0.00 H new ATOM 0 HD2 LYS A 59 78.408 -7.281 11.058 1.00 0.00 H new ATOM 0 HD3 LYS A 59 79.678 -8.156 10.225 1.00 0.00 H new ATOM 0 HE2 LYS A 59 78.262 -5.675 9.121 1.00 0.00 H new ATOM 0 HE3 LYS A 59 79.842 -5.664 9.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 80.324 -5.846 7.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 80.416 -7.463 8.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 79.038 -6.910 7.314 1.00 0.00 H new ATOM 920 N GLY A 60 74.818 -12.248 9.429 1.00 0.00 N ATOM 921 CA GLY A 60 74.624 -13.677 9.675 1.00 0.00 C ATOM 922 C GLY A 60 73.828 -13.931 10.946 1.00 0.00 C ATOM 923 O GLY A 60 73.333 -15.036 11.169 1.00 0.00 O ATOM 0 H GLY A 60 74.093 -11.812 8.859 1.00 0.00 H new ATOM 0 HA2 GLY A 60 74.106 -14.124 8.827 1.00 0.00 H new ATOM 0 HA3 GLY A 60 75.595 -14.167 9.750 1.00 0.00 H new ATOM 927 N ARG A 61 73.705 -12.908 11.775 1.00 0.00 N ATOM 928 CA ARG A 61 72.967 -13.035 13.014 1.00 0.00 C ATOM 929 C ARG A 61 71.487 -13.177 12.713 1.00 0.00 C ATOM 930 O ARG A 61 70.976 -12.571 11.775 1.00 0.00 O ATOM 931 CB ARG A 61 73.259 -11.814 13.886 1.00 0.00 C ATOM 932 CG ARG A 61 74.740 -11.877 14.267 1.00 0.00 C ATOM 933 CD ARG A 61 75.271 -10.505 14.721 1.00 0.00 C ATOM 934 NE ARG A 61 74.189 -9.548 14.911 1.00 0.00 N ATOM 935 CZ ARG A 61 74.388 -8.428 15.598 1.00 0.00 C ATOM 936 NH1 ARG A 61 73.423 -7.564 15.735 1.00 0.00 N ATOM 937 NH2 ARG A 61 75.553 -8.195 16.138 1.00 0.00 N ATOM 0 H ARG A 61 74.106 -11.985 11.611 1.00 0.00 H new ATOM 0 HA ARG A 61 73.276 -13.927 13.558 1.00 0.00 H new ATOM 0 HB2 ARG A 61 73.039 -10.893 13.346 1.00 0.00 H new ATOM 0 HB3 ARG A 61 72.631 -11.818 14.777 1.00 0.00 H new ATOM 0 HG2 ARG A 61 74.879 -12.604 15.067 1.00 0.00 H new ATOM 0 HG3 ARG A 61 75.321 -12.228 13.414 1.00 0.00 H new ATOM 0 HD2 ARG A 61 75.825 -10.619 15.653 1.00 0.00 H new ATOM 0 HD3 ARG A 61 75.971 -10.121 13.979 1.00 0.00 H new ATOM 0 HE ARG A 61 73.270 -9.740 14.513 1.00 0.00 H new ATOM 0 HH11 ARG A 61 72.512 -7.746 15.314 1.00 0.00 H new ATOM 0 HH12 ARG A 61 73.579 -6.705 16.263 1.00 0.00 H new ATOM 0 HH21 ARG A 61 76.309 -8.872 16.032 1.00 0.00 H new ATOM 0 HH22 ARG A 61 75.708 -7.336 16.666 1.00 0.00 H new ATOM 951 N GLN A 62 70.808 -14.003 13.494 1.00 0.00 N ATOM 952 CA GLN A 62 69.390 -14.237 13.274 1.00 0.00 C ATOM 953 C GLN A 62 68.563 -13.272 14.090 1.00 0.00 C ATOM 954 O GLN A 62 68.920 -12.930 15.215 1.00 0.00 O ATOM 955 CB GLN A 62 69.026 -15.675 13.654 1.00 0.00 C ATOM 956 CG GLN A 62 70.128 -16.617 13.173 1.00 0.00 C ATOM 957 CD GLN A 62 69.634 -18.060 13.198 1.00 0.00 C ATOM 958 OE1 GLN A 62 68.437 -18.323 13.646 1.00 0.00 O flip ATOM 959 NE2 GLN A 62 70.358 -18.972 12.799 1.00 0.00 N flip ATOM 0 H GLN A 62 71.211 -14.517 14.277 1.00 0.00 H new ATOM 0 HA GLN A 62 69.176 -14.080 12.217 1.00 0.00 H new ATOM 0 HB2 GLN A 62 68.906 -15.759 14.734 1.00 0.00 H new ATOM 0 HB3 GLN A 62 68.073 -15.952 13.204 1.00 0.00 H new ATOM 0 HG2 GLN A 62 70.432 -16.346 12.162 1.00 0.00 H new ATOM 0 HG3 GLN A 62 71.007 -16.515 13.809 1.00 0.00 H new ATOM 0 HE21 GLN A 62 71.293 -18.765 12.449 1.00 0.00 H new ATOM 0 HE22 GLN A 62 70.023 -19.935 12.818 1.00 0.00 H new ATOM 968 N ILE A 63 67.455 -12.837 13.513 1.00 0.00 N ATOM 969 CA ILE A 63 66.575 -11.913 14.178 1.00 0.00 C ATOM 970 C ILE A 63 65.364 -12.638 14.696 1.00 0.00 C ATOM 971 O ILE A 63 64.893 -13.595 14.095 1.00 0.00 O ATOM 972 CB ILE A 63 66.146 -10.826 13.206 1.00 0.00 C ATOM 973 CG1 ILE A 63 65.485 -9.690 13.976 1.00 0.00 C ATOM 974 CG2 ILE A 63 65.155 -11.385 12.180 1.00 0.00 C ATOM 975 CD1 ILE A 63 66.549 -8.688 14.403 1.00 0.00 C ATOM 0 H ILE A 63 67.150 -13.115 12.580 1.00 0.00 H new ATOM 0 HA ILE A 63 67.103 -11.459 15.017 1.00 0.00 H new ATOM 0 HB ILE A 63 67.027 -10.457 12.681 1.00 0.00 H new ATOM 0 HG12 ILE A 63 64.736 -9.200 13.353 1.00 0.00 H new ATOM 0 HG13 ILE A 63 64.966 -10.082 14.851 1.00 0.00 H new ATOM 0 HG21 ILE A 63 64.858 -10.593 11.492 1.00 0.00 H new ATOM 0 HG22 ILE A 63 65.627 -12.193 11.621 1.00 0.00 H new ATOM 0 HG23 ILE A 63 64.274 -11.767 12.696 1.00 0.00 H new ATOM 0 HD11 ILE A 63 66.081 -7.873 14.955 1.00 0.00 H new ATOM 0 HD12 ILE A 63 67.281 -9.184 15.040 1.00 0.00 H new ATOM 0 HD13 ILE A 63 67.048 -8.289 13.520 1.00 0.00 H new ATOM 987 N GLU A 64 64.865 -12.148 15.804 1.00 0.00 N ATOM 988 CA GLU A 64 63.686 -12.710 16.427 1.00 0.00 C ATOM 989 C GLU A 64 62.614 -11.647 16.406 1.00 0.00 C ATOM 990 O GLU A 64 62.667 -10.681 17.171 1.00 0.00 O ATOM 991 CB GLU A 64 64.006 -13.154 17.863 1.00 0.00 C ATOM 992 CG GLU A 64 63.599 -14.616 18.065 1.00 0.00 C ATOM 993 CD GLU A 64 62.082 -14.753 17.993 1.00 0.00 C ATOM 994 OE1 GLU A 64 61.577 -15.766 18.449 1.00 0.00 O ATOM 995 OE2 GLU A 64 61.448 -13.845 17.482 1.00 0.00 O ATOM 0 H GLU A 64 65.262 -11.350 16.301 1.00 0.00 H new ATOM 0 HA GLU A 64 63.342 -13.593 15.888 1.00 0.00 H new ATOM 0 HB2 GLU A 64 65.071 -13.035 18.060 1.00 0.00 H new ATOM 0 HB3 GLU A 64 63.477 -12.520 18.574 1.00 0.00 H new ATOM 0 HG2 GLU A 64 64.065 -15.240 17.302 1.00 0.00 H new ATOM 0 HG3 GLU A 64 63.959 -14.971 19.031 1.00 0.00 H new ATOM 1002 N VAL A 65 61.661 -11.802 15.500 1.00 0.00 N ATOM 1003 CA VAL A 65 60.616 -10.828 15.369 1.00 0.00 C ATOM 1004 C VAL A 65 59.465 -11.175 16.278 1.00 0.00 C ATOM 1005 O VAL A 65 59.100 -12.338 16.401 1.00 0.00 O ATOM 1006 CB VAL A 65 60.140 -10.795 13.918 1.00 0.00 C ATOM 1007 CG1 VAL A 65 59.673 -12.184 13.475 1.00 0.00 C ATOM 1008 CG2 VAL A 65 58.993 -9.792 13.796 1.00 0.00 C ATOM 0 H VAL A 65 61.599 -12.590 14.855 1.00 0.00 H new ATOM 0 HA VAL A 65 60.999 -9.847 15.651 1.00 0.00 H new ATOM 0 HB VAL A 65 60.965 -10.492 13.274 1.00 0.00 H new ATOM 0 HG11 VAL A 65 59.337 -12.142 12.439 1.00 0.00 H new ATOM 0 HG12 VAL A 65 60.499 -12.890 13.560 1.00 0.00 H new ATOM 0 HG13 VAL A 65 58.850 -12.511 14.110 1.00 0.00 H new ATOM 0 HG21 VAL A 65 58.645 -9.761 12.763 1.00 0.00 H new ATOM 0 HG22 VAL A 65 58.173 -10.097 14.446 1.00 0.00 H new ATOM 0 HG23 VAL A 65 59.342 -8.803 14.092 1.00 0.00 H new ATOM 1018 N GLU A 66 58.886 -10.169 16.909 1.00 0.00 N ATOM 1019 CA GLU A 66 57.754 -10.417 17.776 1.00 0.00 C ATOM 1020 C GLU A 66 56.764 -9.264 17.711 1.00 0.00 C ATOM 1021 O GLU A 66 57.081 -8.154 18.129 1.00 0.00 O ATOM 1022 CB GLU A 66 58.200 -10.620 19.223 1.00 0.00 C ATOM 1023 CG GLU A 66 56.964 -10.616 20.129 1.00 0.00 C ATOM 1024 CD GLU A 66 57.306 -11.222 21.486 1.00 0.00 C ATOM 1025 OE1 GLU A 66 56.399 -11.381 22.286 1.00 0.00 O ATOM 1026 OE2 GLU A 66 58.469 -11.517 21.705 1.00 0.00 O ATOM 0 H GLU A 66 59.175 -9.193 16.839 1.00 0.00 H new ATOM 0 HA GLU A 66 57.270 -11.329 17.426 1.00 0.00 H new ATOM 0 HB2 GLU A 66 58.737 -11.563 19.323 1.00 0.00 H new ATOM 0 HB3 GLU A 66 58.888 -9.828 19.520 1.00 0.00 H new ATOM 0 HG2 GLU A 66 56.602 -9.596 20.259 1.00 0.00 H new ATOM 0 HG3 GLU A 66 56.159 -11.183 19.661 1.00 0.00 H new ATOM 1033 N ALA A 67 55.555 -9.529 17.219 1.00 0.00 N ATOM 1034 CA ALA A 67 54.539 -8.485 17.148 1.00 0.00 C ATOM 1035 C ALA A 67 53.380 -8.839 18.064 1.00 0.00 C ATOM 1036 O ALA A 67 53.119 -10.015 18.317 1.00 0.00 O ATOM 1037 CB ALA A 67 54.070 -8.295 15.706 1.00 0.00 C ATOM 0 H ALA A 67 55.260 -10.441 16.870 1.00 0.00 H new ATOM 0 HA ALA A 67 54.967 -7.540 17.483 1.00 0.00 H new ATOM 0 HB1 ALA A 67 53.312 -7.513 15.670 1.00 0.00 H new ATOM 0 HB2 ALA A 67 54.917 -8.009 15.083 1.00 0.00 H new ATOM 0 HB3 ALA A 67 53.646 -9.228 15.335 1.00 0.00 H new ATOM 1043 N THR A 68 52.713 -7.821 18.601 1.00 0.00 N ATOM 1044 CA THR A 68 51.620 -8.060 19.528 1.00 0.00 C ATOM 1045 C THR A 68 50.540 -6.982 19.436 1.00 0.00 C ATOM 1046 O THR A 68 50.712 -5.870 19.935 1.00 0.00 O ATOM 1047 CB THR A 68 52.171 -8.081 20.951 1.00 0.00 C ATOM 1048 OG1 THR A 68 53.174 -9.080 21.058 1.00 0.00 O ATOM 1049 CG2 THR A 68 51.039 -8.376 21.928 1.00 0.00 C ATOM 0 H THR A 68 52.909 -6.838 18.412 1.00 0.00 H new ATOM 0 HA THR A 68 51.166 -9.016 19.266 1.00 0.00 H new ATOM 0 HB THR A 68 52.607 -7.111 21.188 1.00 0.00 H new ATOM 0 HG1 THR A 68 53.528 -9.091 21.972 1.00 0.00 H new ATOM 0 HG21 THR A 68 51.431 -8.391 22.945 1.00 0.00 H new ATOM 0 HG22 THR A 68 50.276 -7.602 21.845 1.00 0.00 H new ATOM 0 HG23 THR A 68 50.600 -9.346 21.694 1.00 0.00 H new ATOM 1057 N GLY A 69 49.424 -7.335 18.817 1.00 0.00 N ATOM 1058 CA GLY A 69 48.298 -6.418 18.676 1.00 0.00 C ATOM 1059 C GLY A 69 47.337 -6.902 17.593 1.00 0.00 C ATOM 1060 O GLY A 69 47.616 -7.859 16.880 1.00 0.00 O ATOM 0 H GLY A 69 49.271 -8.254 18.402 1.00 0.00 H new ATOM 0 HA2 GLY A 69 47.770 -6.334 19.626 1.00 0.00 H new ATOM 0 HA3 GLY A 69 48.663 -5.422 18.426 1.00 0.00 H new ATOM 1064 N PRO A 70 46.212 -6.267 17.462 1.00 0.00 N ATOM 1065 CA PRO A 70 45.185 -6.641 16.455 1.00 0.00 C ATOM 1066 C PRO A 70 45.772 -7.169 15.152 1.00 0.00 C ATOM 1067 O PRO A 70 45.366 -8.224 14.665 1.00 0.00 O ATOM 1068 CB PRO A 70 44.460 -5.325 16.237 1.00 0.00 C ATOM 1069 CG PRO A 70 44.457 -4.690 17.587 1.00 0.00 C ATOM 1070 CD PRO A 70 45.777 -5.105 18.257 1.00 0.00 C ATOM 0 HA PRO A 70 44.550 -7.459 16.795 1.00 0.00 H new ATOM 0 HB2 PRO A 70 44.973 -4.703 15.504 1.00 0.00 H new ATOM 0 HB3 PRO A 70 43.447 -5.483 15.868 1.00 0.00 H new ATOM 0 HG2 PRO A 70 44.385 -3.605 17.507 1.00 0.00 H new ATOM 0 HG3 PRO A 70 43.601 -5.024 18.173 1.00 0.00 H new ATOM 0 HD2 PRO A 70 46.512 -4.301 18.229 1.00 0.00 H new ATOM 0 HD3 PRO A 70 45.631 -5.367 19.305 1.00 0.00 H new ATOM 1078 N GLN A 71 46.702 -6.419 14.576 1.00 0.00 N ATOM 1079 CA GLN A 71 47.308 -6.823 13.299 1.00 0.00 C ATOM 1080 C GLN A 71 48.822 -7.041 13.407 1.00 0.00 C ATOM 1081 O GLN A 71 49.582 -6.630 12.531 1.00 0.00 O ATOM 1082 CB GLN A 71 47.009 -5.761 12.235 1.00 0.00 C ATOM 1083 CG GLN A 71 45.570 -5.919 11.731 1.00 0.00 C ATOM 1084 CD GLN A 71 44.591 -5.430 12.794 1.00 0.00 C ATOM 1085 OE1 GLN A 71 43.960 -6.237 13.476 1.00 0.00 O ATOM 1086 NE2 GLN A 71 44.428 -4.148 12.976 1.00 0.00 N ATOM 0 H GLN A 71 47.053 -5.541 14.959 1.00 0.00 H new ATOM 0 HA GLN A 71 46.868 -7.779 13.015 1.00 0.00 H new ATOM 0 HB2 GLN A 71 47.150 -4.764 12.654 1.00 0.00 H new ATOM 0 HB3 GLN A 71 47.708 -5.859 11.404 1.00 0.00 H new ATOM 0 HG2 GLN A 71 45.434 -5.352 10.810 1.00 0.00 H new ATOM 0 HG3 GLN A 71 45.371 -6.964 11.494 1.00 0.00 H new ATOM 0 HE21 GLN A 71 44.952 -3.482 12.409 1.00 0.00 H new ATOM 0 HE22 GLN A 71 43.776 -3.812 13.685 1.00 0.00 H new ATOM 1095 N GLU A 72 49.249 -7.710 14.469 1.00 0.00 N ATOM 1096 CA GLU A 72 50.667 -8.002 14.674 1.00 0.00 C ATOM 1097 C GLU A 72 51.197 -8.914 13.589 1.00 0.00 C ATOM 1098 O GLU A 72 52.369 -8.845 13.230 1.00 0.00 O ATOM 1099 CB GLU A 72 50.866 -8.672 16.045 1.00 0.00 C ATOM 1100 CG GLU A 72 49.648 -9.543 16.376 1.00 0.00 C ATOM 1101 CD GLU A 72 50.066 -10.814 17.105 1.00 0.00 C ATOM 1102 OE1 GLU A 72 49.206 -11.645 17.345 1.00 0.00 O ATOM 1103 OE2 GLU A 72 51.235 -10.939 17.412 1.00 0.00 O ATOM 0 H GLU A 72 48.636 -8.062 15.204 1.00 0.00 H new ATOM 0 HA GLU A 72 51.217 -7.062 14.636 1.00 0.00 H new ATOM 0 HB2 GLU A 72 51.769 -9.282 16.035 1.00 0.00 H new ATOM 0 HB3 GLU A 72 51.003 -7.913 16.815 1.00 0.00 H new ATOM 0 HG2 GLU A 72 48.950 -8.978 16.994 1.00 0.00 H new ATOM 0 HG3 GLU A 72 49.122 -9.803 15.457 1.00 0.00 H new ATOM 1110 N GLU A 73 50.340 -9.764 13.073 1.00 0.00 N ATOM 1111 CA GLU A 73 50.757 -10.681 12.033 1.00 0.00 C ATOM 1112 C GLU A 73 51.112 -9.911 10.770 1.00 0.00 C ATOM 1113 O GLU A 73 52.252 -9.939 10.321 1.00 0.00 O ATOM 1114 CB GLU A 73 49.642 -11.690 11.740 1.00 0.00 C ATOM 1115 CG GLU A 73 49.349 -12.516 13.004 1.00 0.00 C ATOM 1116 CD GLU A 73 49.234 -14.000 12.660 1.00 0.00 C ATOM 1117 OE1 GLU A 73 49.496 -14.812 13.532 1.00 0.00 O ATOM 1118 OE2 GLU A 73 48.883 -14.302 11.532 1.00 0.00 O ATOM 0 H GLU A 73 49.361 -9.841 13.350 1.00 0.00 H new ATOM 0 HA GLU A 73 51.639 -11.223 12.375 1.00 0.00 H new ATOM 0 HB2 GLU A 73 48.741 -11.168 11.417 1.00 0.00 H new ATOM 0 HB3 GLU A 73 49.939 -12.348 10.924 1.00 0.00 H new ATOM 0 HG2 GLU A 73 50.144 -12.367 13.735 1.00 0.00 H new ATOM 0 HG3 GLU A 73 48.423 -12.171 13.464 1.00 0.00 H new ATOM 1125 N GLU A 74 50.135 -9.207 10.215 1.00 0.00 N ATOM 1126 CA GLU A 74 50.364 -8.423 9.007 1.00 0.00 C ATOM 1127 C GLU A 74 51.625 -7.580 9.150 1.00 0.00 C ATOM 1128 O GLU A 74 52.394 -7.414 8.203 1.00 0.00 O ATOM 1129 CB GLU A 74 49.168 -7.500 8.766 1.00 0.00 C ATOM 1130 CG GLU A 74 47.886 -8.186 9.236 1.00 0.00 C ATOM 1131 CD GLU A 74 46.667 -7.504 8.621 1.00 0.00 C ATOM 1132 OE1 GLU A 74 46.793 -6.982 7.525 1.00 0.00 O ATOM 1133 OE2 GLU A 74 45.625 -7.514 9.255 1.00 0.00 O ATOM 0 H GLU A 74 49.183 -9.162 10.578 1.00 0.00 H new ATOM 0 HA GLU A 74 50.486 -9.104 8.165 1.00 0.00 H new ATOM 0 HB2 GLU A 74 49.307 -6.561 9.302 1.00 0.00 H new ATOM 0 HB3 GLU A 74 49.093 -7.254 7.707 1.00 0.00 H new ATOM 0 HG2 GLU A 74 47.904 -9.239 8.954 1.00 0.00 H new ATOM 0 HG3 GLU A 74 47.823 -8.149 10.324 1.00 0.00 H new ATOM 1140 N ALA A 75 51.806 -7.038 10.342 1.00 0.00 N ATOM 1141 CA ALA A 75 52.952 -6.184 10.634 1.00 0.00 C ATOM 1142 C ALA A 75 54.250 -6.973 10.625 1.00 0.00 C ATOM 1143 O ALA A 75 55.143 -6.677 9.845 1.00 0.00 O ATOM 1144 CB ALA A 75 52.739 -5.503 11.998 1.00 0.00 C ATOM 0 H ALA A 75 51.172 -7.173 11.129 1.00 0.00 H new ATOM 0 HA ALA A 75 53.032 -5.425 9.855 1.00 0.00 H new ATOM 0 HB1 ALA A 75 53.592 -4.863 12.222 1.00 0.00 H new ATOM 0 HB2 ALA A 75 51.832 -4.900 11.966 1.00 0.00 H new ATOM 0 HB3 ALA A 75 52.642 -6.263 12.773 1.00 0.00 H new ATOM 1150 N LEU A 76 54.337 -7.979 11.473 1.00 0.00 N ATOM 1151 CA LEU A 76 55.524 -8.817 11.544 1.00 0.00 C ATOM 1152 C LEU A 76 55.639 -9.646 10.270 1.00 0.00 C ATOM 1153 O LEU A 76 56.735 -9.942 9.799 1.00 0.00 O ATOM 1154 CB LEU A 76 55.379 -9.709 12.785 1.00 0.00 C ATOM 1155 CG LEU A 76 55.925 -11.129 12.549 1.00 0.00 C ATOM 1156 CD1 LEU A 76 56.108 -11.834 13.906 1.00 0.00 C ATOM 1157 CD2 LEU A 76 54.940 -11.944 11.687 1.00 0.00 C ATOM 0 H LEU A 76 53.598 -8.239 12.126 1.00 0.00 H new ATOM 0 HA LEU A 76 56.432 -8.220 11.627 1.00 0.00 H new ATOM 0 HB2 LEU A 76 55.908 -9.253 13.622 1.00 0.00 H new ATOM 0 HB3 LEU A 76 54.328 -9.768 13.067 1.00 0.00 H new ATOM 0 HG LEU A 76 56.881 -11.059 12.030 1.00 0.00 H new ATOM 0 HD11 LEU A 76 56.495 -12.840 13.744 1.00 0.00 H new ATOM 0 HD12 LEU A 76 56.812 -11.269 14.518 1.00 0.00 H new ATOM 0 HD13 LEU A 76 55.148 -11.892 14.418 1.00 0.00 H new ATOM 0 HD21 LEU A 76 55.339 -12.946 11.528 1.00 0.00 H new ATOM 0 HD22 LEU A 76 53.980 -12.012 12.198 1.00 0.00 H new ATOM 0 HD23 LEU A 76 54.804 -11.451 10.725 1.00 0.00 H new ATOM 1169 N ALA A 77 54.488 -10.005 9.726 1.00 0.00 N ATOM 1170 CA ALA A 77 54.421 -10.800 8.505 1.00 0.00 C ATOM 1171 C ALA A 77 54.798 -9.967 7.284 1.00 0.00 C ATOM 1172 O ALA A 77 55.197 -10.509 6.252 1.00 0.00 O ATOM 1173 CB ALA A 77 52.995 -11.321 8.330 1.00 0.00 C ATOM 0 H ALA A 77 53.578 -9.757 10.113 1.00 0.00 H new ATOM 0 HA ALA A 77 55.126 -11.627 8.591 1.00 0.00 H new ATOM 0 HB1 ALA A 77 52.935 -11.917 7.419 1.00 0.00 H new ATOM 0 HB2 ALA A 77 52.726 -11.939 9.187 1.00 0.00 H new ATOM 0 HB3 ALA A 77 52.306 -10.479 8.259 1.00 0.00 H new ATOM 1179 N ALA A 78 54.670 -8.651 7.403 1.00 0.00 N ATOM 1180 CA ALA A 78 55.001 -7.765 6.294 1.00 0.00 C ATOM 1181 C ALA A 78 56.508 -7.552 6.250 1.00 0.00 C ATOM 1182 O ALA A 78 57.126 -7.534 5.180 1.00 0.00 O ATOM 1183 CB ALA A 78 54.273 -6.425 6.457 1.00 0.00 C ATOM 0 H ALA A 78 54.343 -8.178 8.246 1.00 0.00 H new ATOM 0 HA ALA A 78 54.679 -8.219 5.357 1.00 0.00 H new ATOM 0 HB1 ALA A 78 54.526 -5.770 5.624 1.00 0.00 H new ATOM 0 HB2 ALA A 78 53.196 -6.595 6.470 1.00 0.00 H new ATOM 0 HB3 ALA A 78 54.578 -5.957 7.393 1.00 0.00 H new ATOM 1189 N VAL A 79 57.098 -7.437 7.430 1.00 0.00 N ATOM 1190 CA VAL A 79 58.532 -7.267 7.538 1.00 0.00 C ATOM 1191 C VAL A 79 59.195 -8.550 7.084 1.00 0.00 C ATOM 1192 O VAL A 79 60.143 -8.542 6.308 1.00 0.00 O ATOM 1193 CB VAL A 79 58.915 -6.976 8.997 1.00 0.00 C ATOM 1194 CG1 VAL A 79 57.662 -6.672 9.798 1.00 0.00 C ATOM 1195 CG2 VAL A 79 59.600 -8.198 9.603 1.00 0.00 C ATOM 0 H VAL A 79 56.604 -7.459 8.322 1.00 0.00 H new ATOM 0 HA VAL A 79 58.858 -6.432 6.918 1.00 0.00 H new ATOM 0 HB VAL A 79 59.592 -6.122 9.024 1.00 0.00 H new ATOM 0 HG11 VAL A 79 57.933 -6.465 10.833 1.00 0.00 H new ATOM 0 HG12 VAL A 79 57.161 -5.802 9.374 1.00 0.00 H new ATOM 0 HG13 VAL A 79 56.991 -7.530 9.763 1.00 0.00 H new ATOM 0 HG21 VAL A 79 59.870 -7.988 10.638 1.00 0.00 H new ATOM 0 HG22 VAL A 79 58.920 -9.049 9.571 1.00 0.00 H new ATOM 0 HG23 VAL A 79 60.500 -8.431 9.033 1.00 0.00 H new ATOM 1205 N ILE A 80 58.673 -9.654 7.597 1.00 0.00 N ATOM 1206 CA ILE A 80 59.190 -10.960 7.273 1.00 0.00 C ATOM 1207 C ILE A 80 59.333 -11.087 5.793 1.00 0.00 C ATOM 1208 O ILE A 80 60.429 -11.291 5.287 1.00 0.00 O ATOM 1209 CB ILE A 80 58.248 -12.004 7.840 1.00 0.00 C ATOM 1210 CG1 ILE A 80 58.491 -12.034 9.353 1.00 0.00 C ATOM 1211 CG2 ILE A 80 58.508 -13.375 7.199 1.00 0.00 C ATOM 1212 CD1 ILE A 80 59.265 -13.283 9.746 1.00 0.00 C ATOM 0 H ILE A 80 57.885 -9.663 8.244 1.00 0.00 H new ATOM 0 HA ILE A 80 60.177 -11.108 7.712 1.00 0.00 H new ATOM 0 HB ILE A 80 57.208 -11.759 7.625 1.00 0.00 H new ATOM 0 HG12 ILE A 80 59.046 -11.146 9.655 1.00 0.00 H new ATOM 0 HG13 ILE A 80 57.537 -12.009 9.881 1.00 0.00 H new ATOM 0 HG21 ILE A 80 57.821 -14.110 7.620 1.00 0.00 H new ATOM 0 HG22 ILE A 80 58.353 -13.309 6.122 1.00 0.00 H new ATOM 0 HG23 ILE A 80 59.535 -13.681 7.399 1.00 0.00 H new ATOM 0 HD11 ILE A 80 59.428 -13.286 10.824 1.00 0.00 H new ATOM 0 HD12 ILE A 80 58.696 -14.168 9.462 1.00 0.00 H new ATOM 0 HD13 ILE A 80 60.227 -13.291 9.234 1.00 0.00 H new ATOM 1224 N ALA A 81 58.245 -10.913 5.085 1.00 0.00 N ATOM 1225 CA ALA A 81 58.335 -10.966 3.649 1.00 0.00 C ATOM 1226 C ALA A 81 59.519 -10.125 3.238 1.00 0.00 C ATOM 1227 O ALA A 81 60.123 -10.347 2.190 1.00 0.00 O ATOM 1228 CB ALA A 81 57.081 -10.415 3.003 1.00 0.00 C ATOM 0 H ALA A 81 57.314 -10.739 5.465 1.00 0.00 H new ATOM 0 HA ALA A 81 58.450 -12.001 3.327 1.00 0.00 H new ATOM 0 HB1 ALA A 81 57.177 -10.468 1.919 1.00 0.00 H new ATOM 0 HB2 ALA A 81 56.220 -11.003 3.320 1.00 0.00 H new ATOM 0 HB3 ALA A 81 56.942 -9.377 3.305 1.00 0.00 H new ATOM 1234 N LEU A 82 59.878 -9.172 4.106 1.00 0.00 N ATOM 1235 CA LEU A 82 61.029 -8.344 3.830 1.00 0.00 C ATOM 1236 C LEU A 82 62.252 -8.984 4.457 1.00 0.00 C ATOM 1237 O LEU A 82 63.320 -9.040 3.850 1.00 0.00 O ATOM 1238 CB LEU A 82 60.833 -6.927 4.367 1.00 0.00 C ATOM 1239 CG LEU A 82 61.527 -5.938 3.428 1.00 0.00 C ATOM 1240 CD1 LEU A 82 62.999 -6.336 3.263 1.00 0.00 C ATOM 1241 CD2 LEU A 82 60.828 -5.942 2.057 1.00 0.00 C ATOM 0 H LEU A 82 59.394 -8.968 4.980 1.00 0.00 H new ATOM 0 HA LEU A 82 61.163 -8.267 2.751 1.00 0.00 H new ATOM 0 HB2 LEU A 82 59.770 -6.695 4.439 1.00 0.00 H new ATOM 0 HB3 LEU A 82 61.246 -6.845 5.372 1.00 0.00 H new ATOM 0 HG LEU A 82 61.470 -4.936 3.853 1.00 0.00 H new ATOM 0 HD11 LEU A 82 63.494 -5.632 2.594 1.00 0.00 H new ATOM 0 HD12 LEU A 82 63.491 -6.320 4.235 1.00 0.00 H new ATOM 0 HD13 LEU A 82 63.060 -7.340 2.842 1.00 0.00 H new ATOM 0 HD21 LEU A 82 61.326 -5.236 1.393 1.00 0.00 H new ATOM 0 HD22 LEU A 82 60.877 -6.942 1.626 1.00 0.00 H new ATOM 0 HD23 LEU A 82 59.785 -5.651 2.180 1.00 0.00 H new ATOM 1253 N PHE A 83 62.082 -9.490 5.673 1.00 0.00 N ATOM 1254 CA PHE A 83 63.177 -10.145 6.346 1.00 0.00 C ATOM 1255 C PHE A 83 63.504 -11.421 5.598 1.00 0.00 C ATOM 1256 O PHE A 83 64.662 -11.823 5.484 1.00 0.00 O ATOM 1257 CB PHE A 83 62.831 -10.459 7.795 1.00 0.00 C ATOM 1258 CG PHE A 83 62.892 -9.218 8.659 1.00 0.00 C ATOM 1259 CD1 PHE A 83 62.775 -7.930 8.103 1.00 0.00 C ATOM 1260 CD2 PHE A 83 63.058 -9.364 10.041 1.00 0.00 C ATOM 1261 CE1 PHE A 83 62.822 -6.809 8.935 1.00 0.00 C ATOM 1262 CE2 PHE A 83 63.108 -8.242 10.863 1.00 0.00 C ATOM 1263 CZ PHE A 83 62.988 -6.970 10.313 1.00 0.00 C ATOM 0 H PHE A 83 61.209 -9.457 6.199 1.00 0.00 H new ATOM 0 HA PHE A 83 64.040 -9.479 6.356 1.00 0.00 H new ATOM 0 HB2 PHE A 83 61.832 -10.891 7.847 1.00 0.00 H new ATOM 0 HB3 PHE A 83 63.522 -11.208 8.182 1.00 0.00 H new ATOM 0 HD1 PHE A 83 62.649 -7.809 7.037 1.00 0.00 H new ATOM 0 HD2 PHE A 83 63.148 -10.351 10.471 1.00 0.00 H new ATOM 0 HE1 PHE A 83 62.730 -5.819 8.514 1.00 0.00 H new ATOM 0 HE2 PHE A 83 63.240 -8.359 11.928 1.00 0.00 H new ATOM 0 HZ PHE A 83 63.023 -6.102 10.955 1.00 0.00 H new ATOM 1273 N ASN A 84 62.458 -12.027 5.062 1.00 0.00 N ATOM 1274 CA ASN A 84 62.592 -13.238 4.283 1.00 0.00 C ATOM 1275 C ASN A 84 63.130 -12.879 2.924 1.00 0.00 C ATOM 1276 O ASN A 84 63.677 -13.706 2.196 1.00 0.00 O ATOM 1277 CB ASN A 84 61.222 -13.898 4.137 1.00 0.00 C ATOM 1278 CG ASN A 84 61.347 -15.417 4.208 1.00 0.00 C ATOM 1279 OD1 ASN A 84 61.929 -16.035 3.317 1.00 0.00 O ATOM 1280 ND2 ASN A 84 60.832 -16.059 5.221 1.00 0.00 N ATOM 0 H ASN A 84 61.499 -11.693 5.156 1.00 0.00 H new ATOM 0 HA ASN A 84 63.272 -13.931 4.778 1.00 0.00 H new ATOM 0 HB2 ASN A 84 60.557 -13.545 4.925 1.00 0.00 H new ATOM 0 HB3 ASN A 84 60.772 -13.609 3.187 1.00 0.00 H new ATOM 0 HD21 ASN A 84 60.912 -17.074 5.275 1.00 0.00 H new ATOM 0 HD22 ASN A 84 60.350 -15.545 5.959 1.00 0.00 H new ATOM 1287 N SER A 85 62.955 -11.619 2.611 1.00 0.00 N ATOM 1288 CA SER A 85 63.412 -11.084 1.331 1.00 0.00 C ATOM 1289 C SER A 85 63.298 -9.565 1.300 1.00 0.00 C ATOM 1290 O SER A 85 64.252 -8.913 1.689 1.00 0.00 O ATOM 1291 CB SER A 85 62.589 -11.683 0.189 1.00 0.00 C ATOM 1292 OG SER A 85 61.206 -11.499 0.459 1.00 0.00 O ATOM 1293 OXT SER A 85 62.261 -9.077 0.880 1.00 0.00 O ATOM 0 H SER A 85 62.501 -10.937 3.218 1.00 0.00 H new ATOM 0 HA SER A 85 64.460 -11.355 1.207 1.00 0.00 H new ATOM 0 HB2 SER A 85 62.854 -11.205 -0.754 1.00 0.00 H new ATOM 0 HB3 SER A 85 62.812 -12.745 0.083 1.00 0.00 H new ATOM 0 HG SER A 85 61.069 -10.628 0.888 1.00 0.00 H new