USER MOD reduce.3.24.130724 H: found=0, std=0, add=315, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 0 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 1 THR N :NH3+ 148:sc= 0.845 (180deg=0.369) USER MOD Single : A 1 THR OG1 : rot 115:sc= 1.45 USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.0178 USER MOD Single : A 6 SER OG : rot -75:sc= 0.777 USER MOD Single : A 11 SER OG : rot 70:sc= 1.24 USER MOD Single : A 12 ASN : amide:sc= -0.479 X(o=-0.48,f=-0.098) USER MOD Single : A 14 ASN : amide:sc= -0.771 K(o=-0.77,f=-1.4) USER MOD Single : A 21 THR OG1 : rot 26:sc= 0.814 USER MOD Single : A 28 THR OG1 : rot 89:sc= 1.27 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 98:sc= 1.19 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -5.09! C(o=-5.1!,f=-6!) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 -3.389 -7.281 4.447 1.00 0.00 N ATOM 2 CA THR A 1 -2.219 -6.539 3.895 1.00 0.00 C ATOM 3 C THR A 1 -2.253 -5.633 2.692 1.00 0.00 C ATOM 4 O THR A 1 -3.047 -5.781 1.768 1.00 0.00 O ATOM 5 CB THR A 1 -0.979 -7.506 3.762 1.00 0.00 C ATOM 6 OG1 THR A 1 -1.335 -8.521 2.824 1.00 0.00 O ATOM 7 CG2 THR A 1 -0.362 -8.158 5.011 1.00 0.00 C ATOM 0 H1 THR A 1 -3.066 -8.178 4.864 1.00 0.00 H new ATOM 0 H2 THR A 1 -3.851 -6.705 5.179 1.00 0.00 H new ATOM 0 H3 THR A 1 -4.067 -7.478 3.683 1.00 0.00 H new ATOM 0 HA THR A 1 -2.187 -5.772 4.668 1.00 0.00 H new ATOM 0 HB THR A 1 -0.171 -6.841 3.457 1.00 0.00 H new ATOM 0 HG1 THR A 1 -0.767 -8.446 2.029 1.00 0.00 H new ATOM 0 HG21 THR A 1 0.478 -8.787 4.716 1.00 0.00 H new ATOM 0 HG22 THR A 1 -0.013 -7.382 5.692 1.00 0.00 H new ATOM 0 HG23 THR A 1 -1.114 -8.768 5.512 1.00 0.00 H new ATOM 8 N THR A 2 -1.348 -4.658 2.753 1.00 0.00 N ATOM 9 CA THR A 2 -1.294 -3.485 1.826 1.00 0.00 C ATOM 10 C THR A 2 -0.217 -3.663 0.773 1.00 0.00 C ATOM 11 O THR A 2 0.717 -2.877 0.600 1.00 0.00 O ATOM 12 CB THR A 2 -0.962 -2.306 2.749 1.00 0.00 C ATOM 13 OG1 THR A 2 0.241 -2.549 3.481 1.00 0.00 O ATOM 14 CG2 THR A 2 -2.068 -1.991 3.768 1.00 0.00 C ATOM 0 H THR A 2 -0.609 -4.643 3.456 1.00 0.00 H new ATOM 0 HA THR A 2 -2.224 -3.346 1.275 1.00 0.00 H new ATOM 0 HB THR A 2 -0.852 -1.452 2.081 1.00 0.00 H new ATOM 0 HG1 THR A 2 0.432 -1.782 4.061 1.00 0.00 H new ATOM 0 HG21 THR A 2 -1.763 -1.146 4.386 1.00 0.00 H new ATOM 0 HG22 THR A 2 -2.988 -1.741 3.240 1.00 0.00 H new ATOM 0 HG23 THR A 2 -2.238 -2.862 4.401 1.00 0.00 H new ATOM 15 N CYS A 3 -0.449 -4.722 0.061 1.00 0.00 N ATOM 16 CA CYS A 3 0.485 -5.288 -0.915 1.00 0.00 C ATOM 17 C CYS A 3 0.716 -4.332 -2.099 1.00 0.00 C ATOM 18 O CYS A 3 -0.231 -3.873 -2.740 1.00 0.00 O ATOM 19 CB CYS A 3 0.132 -6.717 -1.312 1.00 0.00 C ATOM 20 SG CYS A 3 0.056 -7.726 0.197 1.00 0.00 S ATOM 0 H CYS A 3 -1.320 -5.249 0.132 1.00 0.00 H new ATOM 0 HA CYS A 3 1.454 -5.383 -0.425 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -0.825 -6.741 -1.833 1.00 0.00 H new ATOM 0 HB3 CYS A 3 0.879 -7.116 -1.998 1.00 0.00 H new ATOM 21 N CYS A 4 1.955 -3.890 -2.206 1.00 0.00 N ATOM 22 CA CYS A 4 2.329 -2.729 -3.055 1.00 0.00 C ATOM 23 C CYS A 4 3.344 -3.248 -4.087 1.00 0.00 C ATOM 24 O CYS A 4 4.209 -4.049 -3.751 1.00 0.00 O ATOM 25 CB CYS A 4 2.882 -1.642 -2.126 1.00 0.00 C ATOM 26 SG CYS A 4 1.580 -0.613 -1.357 1.00 0.00 S ATOM 0 H CYS A 4 2.744 -4.312 -1.715 1.00 0.00 H new ATOM 0 HA CYS A 4 1.497 -2.286 -3.602 1.00 0.00 H new ATOM 0 HB2 CYS A 4 3.474 -2.112 -1.341 1.00 0.00 H new ATOM 0 HB3 CYS A 4 3.556 -0.999 -2.692 1.00 0.00 H new ATOM 27 N PRO A 5 3.236 -2.783 -5.345 1.00 0.00 N ATOM 28 CA PRO A 5 4.025 -3.308 -6.470 1.00 0.00 C ATOM 29 C PRO A 5 5.555 -3.230 -6.349 1.00 0.00 C ATOM 30 O PRO A 5 6.248 -3.984 -7.044 1.00 0.00 O ATOM 31 CB PRO A 5 3.455 -2.638 -7.711 1.00 0.00 C ATOM 32 CG PRO A 5 2.862 -1.333 -7.180 1.00 0.00 C ATOM 33 CD PRO A 5 2.300 -1.759 -5.817 1.00 0.00 C ATOM 0 HA PRO A 5 3.917 -4.392 -6.505 1.00 0.00 H new ATOM 0 HB2 PRO A 5 4.228 -2.452 -8.456 1.00 0.00 H new ATOM 0 HB3 PRO A 5 2.696 -3.258 -8.187 1.00 0.00 H new ATOM 0 HG2 PRO A 5 3.617 -0.553 -7.083 1.00 0.00 H new ATOM 0 HG3 PRO A 5 2.084 -0.943 -7.837 1.00 0.00 H new ATOM 0 HD2 PRO A 5 2.250 -0.917 -5.126 1.00 0.00 H new ATOM 0 HD3 PRO A 5 1.289 -2.156 -5.910 1.00 0.00 H new ATOM 34 N SER A 6 6.090 -2.345 -5.512 1.00 0.00 N ATOM 35 CA SER A 6 7.530 -2.322 -5.206 1.00 0.00 C ATOM 36 C SER A 6 7.738 -1.706 -3.823 1.00 0.00 C ATOM 37 O SER A 6 6.833 -1.052 -3.292 1.00 0.00 O ATOM 38 CB SER A 6 8.336 -1.545 -6.267 1.00 0.00 C ATOM 39 OG SER A 6 8.153 -0.135 -6.133 1.00 0.00 O ATOM 0 H SER A 6 5.550 -1.628 -5.028 1.00 0.00 H new ATOM 0 HA SER A 6 7.898 -3.348 -5.217 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.395 -1.787 -6.170 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.027 -1.860 -7.264 1.00 0.00 H new ATOM 0 HG SER A 6 7.269 0.114 -6.475 1.00 0.00 H new ATOM 40 N ILE A 7 8.959 -1.794 -3.314 1.00 0.00 N ATOM 41 CA ILE A 7 9.360 -1.159 -2.037 1.00 0.00 C ATOM 42 C ILE A 7 9.300 0.382 -2.193 1.00 0.00 C ATOM 43 O ILE A 7 8.990 1.082 -1.232 1.00 0.00 O ATOM 44 CB ILE A 7 10.718 -1.673 -1.524 1.00 0.00 C ATOM 45 CG1 ILE A 7 10.768 -3.218 -1.388 1.00 0.00 C ATOM 46 CG2 ILE A 7 11.120 -0.953 -0.220 1.00 0.00 C ATOM 47 CD1 ILE A 7 12.032 -3.834 -0.739 1.00 0.00 C ATOM 0 H ILE A 7 9.714 -2.308 -3.768 1.00 0.00 H new ATOM 0 HA ILE A 7 8.652 -1.445 -1.259 1.00 0.00 H new ATOM 0 HB ILE A 7 11.462 -1.426 -2.281 1.00 0.00 H new ATOM 0 HG12 ILE A 7 9.902 -3.533 -0.806 1.00 0.00 H new ATOM 0 HG13 ILE A 7 10.656 -3.648 -2.383 1.00 0.00 H new ATOM 0 HG21 ILE A 7 12.082 -1.333 0.123 1.00 0.00 H new ATOM 0 HG22 ILE A 7 11.198 0.118 -0.405 1.00 0.00 H new ATOM 0 HG23 ILE A 7 10.364 -1.135 0.544 1.00 0.00 H new ATOM 0 HD11 ILE A 7 11.933 -4.919 -0.708 1.00 0.00 H new ATOM 0 HD12 ILE A 7 12.910 -3.567 -1.327 1.00 0.00 H new ATOM 0 HD13 ILE A 7 12.144 -3.450 0.275 1.00 0.00 H new ATOM 48 N VAL A 8 9.488 0.879 -3.416 1.00 0.00 N ATOM 49 CA VAL A 8 9.477 2.312 -3.767 1.00 0.00 C ATOM 50 C VAL A 8 7.984 2.692 -3.814 1.00 0.00 C ATOM 51 O VAL A 8 7.592 3.700 -3.220 1.00 0.00 O ATOM 52 CB VAL A 8 10.073 2.537 -5.155 1.00 0.00 C ATOM 53 CG1 VAL A 8 10.415 3.967 -5.396 1.00 0.00 C ATOM 54 CG2 VAL A 8 11.417 1.692 -5.320 1.00 0.00 C ATOM 0 H VAL A 8 9.659 0.279 -4.223 1.00 0.00 H new ATOM 0 HA VAL A 8 10.057 2.899 -3.054 1.00 0.00 H new ATOM 0 HB VAL A 8 9.315 2.222 -5.872 1.00 0.00 H new ATOM 0 HG11 VAL A 8 10.835 4.077 -6.396 1.00 0.00 H new ATOM 0 HG12 VAL A 8 9.515 4.576 -5.312 1.00 0.00 H new ATOM 0 HG13 VAL A 8 11.146 4.296 -4.657 1.00 0.00 H new ATOM 0 HG21 VAL A 8 11.833 1.860 -6.313 1.00 0.00 H new ATOM 0 HG22 VAL A 8 12.139 2.006 -4.566 1.00 0.00 H new ATOM 0 HG23 VAL A 8 11.198 0.632 -5.193 1.00 0.00 H new ATOM 55 N ALA A 9 7.130 1.821 -4.371 1.00 0.00 N ATOM 56 CA ALA A 9 5.688 2.095 -4.452 1.00 0.00 C ATOM 57 C ALA A 9 5.014 2.034 -3.079 1.00 0.00 C ATOM 58 O ALA A 9 4.193 2.889 -2.762 1.00 0.00 O ATOM 59 CB ALA A 9 4.956 1.120 -5.389 1.00 0.00 C ATOM 0 H ALA A 9 7.411 0.925 -4.770 1.00 0.00 H new ATOM 0 HA ALA A 9 5.612 3.105 -4.854 1.00 0.00 H new ATOM 0 HB1 ALA A 9 3.894 1.366 -5.413 1.00 0.00 H new ATOM 0 HB2 ALA A 9 5.370 1.201 -6.394 1.00 0.00 H new ATOM 0 HB3 ALA A 9 5.084 0.101 -5.025 1.00 0.00 H new ATOM 60 N ARG A 10 5.497 1.124 -2.233 1.00 0.00 N ATOM 61 CA ARG A 10 5.127 1.102 -0.804 1.00 0.00 C ATOM 62 C ARG A 10 5.660 2.335 -0.036 1.00 0.00 C ATOM 63 O ARG A 10 4.903 2.950 0.701 1.00 0.00 O ATOM 64 CB ARG A 10 5.637 -0.179 -0.116 1.00 0.00 C ATOM 65 CG ARG A 10 5.199 -0.318 1.353 1.00 0.00 C ATOM 66 CD ARG A 10 3.694 -0.419 1.568 1.00 0.00 C ATOM 67 NE ARG A 10 3.207 -1.799 1.559 1.00 0.00 N ATOM 68 CZ ARG A 10 3.309 -2.721 2.508 1.00 0.00 C ATOM 69 NH1 ARG A 10 3.804 -2.397 3.697 1.00 0.00 N ATOM 70 NH2 ARG A 10 3.023 -3.988 2.259 1.00 0.00 N ATOM 0 H ARG A 10 6.148 0.388 -2.506 1.00 0.00 H new ATOM 0 HA ARG A 10 4.038 1.125 -0.774 1.00 0.00 H new ATOM 0 HB2 ARG A 10 5.281 -1.045 -0.674 1.00 0.00 H new ATOM 0 HB3 ARG A 10 6.726 -0.195 -0.163 1.00 0.00 H new ATOM 0 HG2 ARG A 10 5.672 -1.205 1.775 1.00 0.00 H new ATOM 0 HG3 ARG A 10 5.574 0.540 1.911 1.00 0.00 H new ATOM 0 HD2 ARG A 10 3.436 0.045 2.520 1.00 0.00 H new ATOM 0 HD3 ARG A 10 3.182 0.146 0.789 1.00 0.00 H new ATOM 0 HE ARG A 10 2.724 -2.091 0.709 1.00 0.00 H new ATOM 0 HH11 ARG A 10 4.105 -1.440 3.880 1.00 0.00 H new ATOM 0 HH12 ARG A 10 3.883 -3.105 4.427 1.00 0.00 H new ATOM 0 HH21 ARG A 10 2.719 -4.268 1.327 1.00 0.00 H new ATOM 0 HH22 ARG A 10 3.106 -4.685 2.999 1.00 0.00 H new ATOM 71 N SER A 11 6.876 2.750 -0.360 1.00 0.00 N ATOM 72 CA SER A 11 7.459 4.004 0.174 1.00 0.00 C ATOM 73 C SER A 11 6.570 5.213 -0.190 1.00 0.00 C ATOM 74 O SER A 11 6.186 5.989 0.668 1.00 0.00 O ATOM 75 CB SER A 11 8.878 4.279 -0.348 1.00 0.00 C ATOM 76 OG SER A 11 9.792 3.274 0.129 1.00 0.00 O ATOM 0 H SER A 11 7.494 2.243 -0.994 1.00 0.00 H new ATOM 0 HA SER A 11 7.512 3.870 1.254 1.00 0.00 H new ATOM 0 HB2 SER A 11 8.876 4.290 -1.438 1.00 0.00 H new ATOM 0 HB3 SER A 11 9.208 5.265 -0.020 1.00 0.00 H new ATOM 0 HG SER A 11 9.602 2.421 -0.315 1.00 0.00 H new ATOM 77 N ASN A 12 6.085 5.199 -1.431 1.00 0.00 N ATOM 78 CA ASN A 12 5.076 6.171 -1.932 1.00 0.00 C ATOM 79 C ASN A 12 3.707 5.979 -1.245 1.00 0.00 C ATOM 80 O ASN A 12 3.158 6.966 -0.770 1.00 0.00 O ATOM 81 CB ASN A 12 5.110 6.097 -3.456 1.00 0.00 C ATOM 82 CG ASN A 12 6.463 6.400 -4.098 1.00 0.00 C ATOM 83 OD1 ASN A 12 6.884 5.780 -5.061 1.00 0.00 O ATOM 84 ND2 ASN A 12 7.163 7.344 -3.526 1.00 0.00 N ATOM 0 H ASN A 12 6.373 4.516 -2.131 1.00 0.00 H new ATOM 0 HA ASN A 12 5.308 7.201 -1.662 1.00 0.00 H new ATOM 0 HB2 ASN A 12 4.798 5.098 -3.761 1.00 0.00 H new ATOM 0 HB3 ASN A 12 4.374 6.796 -3.853 1.00 0.00 H new ATOM 0 HD21 ASN A 12 8.089 7.580 -3.883 1.00 0.00 H new ATOM 0 HD22 ASN A 12 6.784 7.844 -2.722 1.00 0.00 H new ATOM 85 N PHE A 13 3.274 4.743 -1.014 1.00 0.00 N ATOM 86 CA PHE A 13 2.083 4.415 -0.178 1.00 0.00 C ATOM 87 C PHE A 13 2.232 5.057 1.228 1.00 0.00 C ATOM 88 O PHE A 13 1.347 5.771 1.666 1.00 0.00 O ATOM 89 CB PHE A 13 1.717 2.903 -0.011 1.00 0.00 C ATOM 90 CG PHE A 13 0.549 2.561 0.900 1.00 0.00 C ATOM 91 CD1 PHE A 13 -0.723 2.432 0.321 1.00 0.00 C ATOM 92 CD2 PHE A 13 0.766 2.244 2.248 1.00 0.00 C ATOM 93 CE1 PHE A 13 -1.840 2.052 1.116 1.00 0.00 C ATOM 94 CE2 PHE A 13 -0.319 1.877 3.067 1.00 0.00 C ATOM 95 CZ PHE A 13 -1.608 1.791 2.487 1.00 0.00 C ATOM 0 H PHE A 13 3.734 3.918 -1.399 1.00 0.00 H new ATOM 0 HA PHE A 13 1.252 4.834 -0.746 1.00 0.00 H new ATOM 0 HB2 PHE A 13 1.503 2.497 -1.000 1.00 0.00 H new ATOM 0 HB3 PHE A 13 2.599 2.383 0.363 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -0.855 2.622 -0.734 1.00 0.00 H new ATOM 0 HD2 PHE A 13 1.764 2.281 2.658 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -2.828 1.966 0.689 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -0.171 1.665 4.116 1.00 0.00 H new ATOM 0 HZ PHE A 13 -2.444 1.516 3.114 1.00 0.00 H new ATOM 96 N ASN A 14 3.423 4.927 1.807 1.00 0.00 N ATOM 97 CA ASN A 14 3.824 5.507 3.123 1.00 0.00 C ATOM 98 C ASN A 14 3.877 7.061 3.080 1.00 0.00 C ATOM 99 O ASN A 14 3.468 7.672 4.069 1.00 0.00 O ATOM 100 CB ASN A 14 5.110 4.874 3.619 1.00 0.00 C ATOM 101 CG ASN A 14 5.028 3.354 3.755 1.00 0.00 C ATOM 102 OD1 ASN A 14 5.843 2.580 3.318 1.00 0.00 O ATOM 103 ND2 ASN A 14 3.950 2.965 4.380 1.00 0.00 N ATOM 0 H ASN A 14 4.177 4.397 1.370 1.00 0.00 H new ATOM 0 HA ASN A 14 3.053 5.264 3.854 1.00 0.00 H new ATOM 0 HB2 ASN A 14 5.918 5.126 2.933 1.00 0.00 H new ATOM 0 HB3 ASN A 14 5.368 5.304 4.587 1.00 0.00 H new ATOM 0 HD21 ASN A 14 3.770 1.970 4.515 1.00 0.00 H new ATOM 0 HD22 ASN A 14 3.288 3.656 4.733 1.00 0.00 H new ATOM 104 N VAL A 15 4.284 7.656 1.960 1.00 0.00 N ATOM 105 CA VAL A 15 4.236 9.160 1.822 1.00 0.00 C ATOM 106 C VAL A 15 2.756 9.535 1.653 1.00 0.00 C ATOM 107 O VAL A 15 2.314 10.429 2.382 1.00 0.00 O ATOM 108 CB VAL A 15 5.118 9.662 0.692 1.00 0.00 C ATOM 109 CG1 VAL A 15 5.139 11.211 0.571 1.00 0.00 C ATOM 110 CG2 VAL A 15 6.640 9.273 0.801 1.00 0.00 C ATOM 0 H VAL A 15 4.644 7.162 1.143 1.00 0.00 H new ATOM 0 HA VAL A 15 4.643 9.648 2.707 1.00 0.00 H new ATOM 0 HB VAL A 15 4.653 9.174 -0.164 1.00 0.00 H new ATOM 0 HG11 VAL A 15 5.788 11.503 -0.255 1.00 0.00 H new ATOM 0 HG12 VAL A 15 4.129 11.575 0.385 1.00 0.00 H new ATOM 0 HG13 VAL A 15 5.516 11.643 1.498 1.00 0.00 H new ATOM 0 HG21 VAL A 15 7.181 9.679 -0.053 1.00 0.00 H new ATOM 0 HG22 VAL A 15 7.055 9.683 1.722 1.00 0.00 H new ATOM 0 HG23 VAL A 15 6.738 8.187 0.810 1.00 0.00 H new ATOM 111 N CYS A 16 1.956 8.797 0.872 1.00 0.00 N ATOM 112 CA CYS A 16 0.480 9.010 0.821 1.00 0.00 C ATOM 113 C CYS A 16 -0.174 8.808 2.208 1.00 0.00 C ATOM 114 O CYS A 16 -1.196 9.433 2.508 1.00 0.00 O ATOM 115 CB CYS A 16 -0.227 8.252 -0.308 1.00 0.00 C ATOM 116 SG CYS A 16 -2.040 8.429 -0.283 1.00 0.00 S ATOM 0 H CYS A 16 2.291 8.048 0.266 1.00 0.00 H new ATOM 0 HA CYS A 16 0.337 10.058 0.556 1.00 0.00 H new ATOM 0 HB2 CYS A 16 0.151 8.609 -1.266 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.027 7.194 -0.239 1.00 0.00 H new ATOM 117 N ARG A 17 0.475 8.017 3.062 1.00 0.00 N ATOM 118 CA ARG A 17 -0.024 7.743 4.434 1.00 0.00 C ATOM 119 C ARG A 17 0.685 8.615 5.496 1.00 0.00 C ATOM 120 O ARG A 17 0.284 8.541 6.659 1.00 0.00 O ATOM 121 CB ARG A 17 0.054 6.245 4.618 1.00 0.00 C ATOM 122 CG ARG A 17 -1.024 5.494 5.457 1.00 0.00 C ATOM 123 CD ARG A 17 -1.628 6.094 6.729 1.00 0.00 C ATOM 124 NE ARG A 17 -0.774 5.839 7.893 1.00 0.00 N ATOM 125 CZ ARG A 17 -1.204 5.402 9.077 1.00 0.00 C ATOM 126 NH1 ARG A 17 -2.484 5.142 9.342 1.00 0.00 N ATOM 127 NH2 ARG A 17 -0.341 5.239 10.084 1.00 0.00 N ATOM 0 H ARG A 17 1.352 7.547 2.838 1.00 0.00 H new ATOM 0 HA ARG A 17 -1.063 8.041 4.575 1.00 0.00 H new ATOM 0 HB2 ARG A 17 0.057 5.798 3.624 1.00 0.00 H new ATOM 0 HB3 ARG A 17 1.022 6.026 5.068 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -1.855 5.284 4.784 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -0.591 4.534 5.738 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -1.760 7.168 6.600 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -2.617 5.669 6.900 1.00 0.00 H new ATOM 0 HE ARG A 17 0.226 6.009 7.789 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -3.192 5.276 8.620 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -2.756 4.809 10.267 1.00 0.00 H new ATOM 0 HH21 ARG A 17 0.648 5.449 9.947 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -0.671 4.905 10.989 1.00 0.00 H new ATOM 128 N LEU A 18 1.492 9.607 5.080 1.00 0.00 N ATOM 129 CA LEU A 18 1.989 10.640 6.018 1.00 0.00 C ATOM 130 C LEU A 18 0.885 11.327 6.858 1.00 0.00 C ATOM 131 O LEU A 18 1.082 11.388 8.075 1.00 0.00 O ATOM 132 CB LEU A 18 2.881 11.673 5.300 1.00 0.00 C ATOM 133 CG LEU A 18 4.371 11.633 5.734 1.00 0.00 C ATOM 134 CD1 LEU A 18 4.539 12.092 7.187 1.00 0.00 C ATOM 135 CD2 LEU A 18 5.023 10.269 5.478 1.00 0.00 C ATOM 0 H LEU A 18 1.812 9.719 4.118 1.00 0.00 H new ATOM 0 HA LEU A 18 2.600 10.099 6.741 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.822 11.503 4.225 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.486 12.671 5.487 1.00 0.00 H new ATOM 0 HG LEU A 18 4.906 12.343 5.103 1.00 0.00 H new ATOM 0 HD11 LEU A 18 5.593 12.053 7.461 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.175 13.114 7.290 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.968 11.436 7.844 1.00 0.00 H new ATOM 0 HD21 LEU A 18 6.064 10.297 5.800 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.491 9.500 6.038 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.978 10.038 4.414 1.00 0.00 H new ATOM 136 N PRO A 19 -0.298 11.681 6.304 1.00 0.00 N ATOM 137 CA PRO A 19 -1.460 12.158 7.080 1.00 0.00 C ATOM 138 C PRO A 19 -1.868 11.263 8.252 1.00 0.00 C ATOM 139 O PRO A 19 -2.306 11.753 9.295 1.00 0.00 O ATOM 140 CB PRO A 19 -2.595 12.144 6.060 1.00 0.00 C ATOM 141 CG PRO A 19 -1.910 12.611 4.792 1.00 0.00 C ATOM 142 CD PRO A 19 -0.589 11.845 4.848 1.00 0.00 C ATOM 0 HA PRO A 19 -1.225 13.123 7.530 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -3.024 11.149 5.945 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -3.408 12.810 6.350 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -2.488 12.365 3.901 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.757 13.690 4.784 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -0.672 10.879 4.351 1.00 0.00 H new ATOM 0 HD3 PRO A 19 0.207 12.394 4.346 1.00 0.00 H new ATOM 143 N GLY A 20 -1.938 9.961 7.960 1.00 0.00 N ATOM 144 CA GLY A 20 -2.386 8.910 8.868 1.00 0.00 C ATOM 145 C GLY A 20 -3.868 8.516 8.678 1.00 0.00 C ATOM 146 O GLY A 20 -4.582 8.268 9.652 1.00 0.00 O ATOM 0 H GLY A 20 -1.672 9.599 7.044 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -1.763 8.027 8.724 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -2.236 9.241 9.896 1.00 0.00 H new ATOM 147 N THR A 21 -4.316 8.516 7.424 1.00 0.00 N ATOM 148 CA THR A 21 -5.756 8.338 7.079 1.00 0.00 C ATOM 149 C THR A 21 -6.057 7.645 5.714 1.00 0.00 C ATOM 150 O THR A 21 -6.643 6.565 5.757 1.00 0.00 O ATOM 151 CB THR A 21 -6.507 9.626 7.414 1.00 0.00 C ATOM 152 OG1 THR A 21 -6.753 9.660 8.816 1.00 0.00 O ATOM 153 CG2 THR A 21 -7.819 9.800 6.641 1.00 0.00 C ATOM 0 H THR A 21 -3.710 8.637 6.613 1.00 0.00 H new ATOM 0 HA THR A 21 -6.178 7.561 7.716 1.00 0.00 H new ATOM 0 HB THR A 21 -5.873 10.458 7.106 1.00 0.00 H new ATOM 0 HG1 THR A 21 -6.073 9.129 9.280 1.00 0.00 H new ATOM 0 HG21 THR A 21 -8.292 10.737 6.934 1.00 0.00 H new ATOM 0 HG22 THR A 21 -7.611 9.817 5.571 1.00 0.00 H new ATOM 0 HG23 THR A 21 -8.488 8.969 6.867 1.00 0.00 H new ATOM 154 N PRO A 22 -5.773 8.221 4.530 1.00 0.00 N ATOM 155 CA PRO A 22 -6.417 7.816 3.281 1.00 0.00 C ATOM 156 C PRO A 22 -5.879 6.547 2.603 1.00 0.00 C ATOM 157 O PRO A 22 -5.507 6.552 1.430 1.00 0.00 O ATOM 158 CB PRO A 22 -6.303 9.033 2.374 1.00 0.00 C ATOM 159 CG PRO A 22 -4.952 9.637 2.774 1.00 0.00 C ATOM 160 CD PRO A 22 -4.942 9.436 4.303 1.00 0.00 C ATOM 0 HA PRO A 22 -7.443 7.519 3.498 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -6.324 8.754 1.320 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -7.122 9.734 2.535 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -4.119 9.126 2.291 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -4.881 10.690 2.502 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -3.928 9.298 4.678 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -5.357 10.302 4.819 1.00 0.00 H new ATOM 161 N GLU A 23 -6.142 5.400 3.233 1.00 0.00 N ATOM 162 CA GLU A 23 -5.659 4.091 2.751 1.00 0.00 C ATOM 163 C GLU A 23 -6.156 3.706 1.360 1.00 0.00 C ATOM 164 O GLU A 23 -5.388 3.261 0.512 1.00 0.00 O ATOM 165 CB GLU A 23 -5.992 2.923 3.718 1.00 0.00 C ATOM 166 CG GLU A 23 -5.682 3.161 5.194 1.00 0.00 C ATOM 167 CD GLU A 23 -4.303 3.757 5.452 1.00 0.00 C ATOM 168 OE1 GLU A 23 -3.312 2.999 5.376 1.00 0.00 O ATOM 169 OE2 GLU A 23 -4.267 4.995 5.647 1.00 0.00 O ATOM 0 H GLU A 23 -6.693 5.345 4.089 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.580 4.238 2.704 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -7.053 2.692 3.624 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -5.443 2.040 3.391 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -6.438 3.827 5.610 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -5.763 2.214 5.728 1.00 0.00 H new ATOM 170 N ALA A 24 -7.444 3.978 1.103 1.00 0.00 N ATOM 171 CA ALA A 24 -8.029 3.700 -0.259 1.00 0.00 C ATOM 172 C ALA A 24 -7.573 4.685 -1.320 1.00 0.00 C ATOM 173 O ALA A 24 -7.344 4.251 -2.453 1.00 0.00 O ATOM 174 CB ALA A 24 -9.550 3.627 -0.130 1.00 0.00 C ATOM 0 H ALA A 24 -8.097 4.376 1.778 1.00 0.00 H new ATOM 0 HA ALA A 24 -7.654 2.739 -0.612 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -9.989 3.426 -1.107 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -9.819 2.827 0.560 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -9.929 4.576 0.250 1.00 0.00 H new ATOM 175 N LEU A 25 -7.355 5.937 -0.951 1.00 0.00 N ATOM 176 CA LEU A 25 -6.826 6.941 -1.913 1.00 0.00 C ATOM 177 C LEU A 25 -5.376 6.639 -2.304 1.00 0.00 C ATOM 178 O LEU A 25 -5.087 6.460 -3.487 1.00 0.00 O ATOM 179 CB LEU A 25 -6.958 8.368 -1.371 1.00 0.00 C ATOM 180 CG LEU A 25 -8.434 8.796 -1.340 1.00 0.00 C ATOM 181 CD1 LEU A 25 -8.600 10.077 -0.531 1.00 0.00 C ATOM 182 CD2 LEU A 25 -9.008 8.978 -2.763 1.00 0.00 C ATOM 0 H LEU A 25 -7.527 6.297 -0.012 1.00 0.00 H new ATOM 0 HA LEU A 25 -7.436 6.869 -2.813 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -6.536 8.423 -0.368 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.387 9.055 -1.995 1.00 0.00 H new ATOM 0 HG LEU A 25 -8.998 7.997 -0.858 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -9.651 10.366 -0.519 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.258 9.909 0.490 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -8.010 10.873 -0.985 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -10.053 9.281 -2.698 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -8.440 9.745 -3.289 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -8.936 8.036 -3.307 1.00 0.00 H new ATOM 183 N CYS A 26 -4.578 6.278 -1.298 1.00 0.00 N ATOM 184 CA CYS A 26 -3.189 5.729 -1.536 1.00 0.00 C ATOM 185 C CYS A 26 -3.291 4.438 -2.385 1.00 0.00 C ATOM 186 O CYS A 26 -2.712 4.446 -3.455 1.00 0.00 O ATOM 187 CB CYS A 26 -2.522 5.437 -0.204 1.00 0.00 C ATOM 188 SG CYS A 26 -2.507 6.860 0.934 1.00 0.00 S ATOM 0 H CYS A 26 -4.840 6.344 -0.314 1.00 0.00 H new ATOM 0 HA CYS A 26 -2.587 6.462 -2.074 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -3.037 4.605 0.276 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -1.496 5.116 -0.384 1.00 0.00 H new ATOM 189 N ALA A 27 -4.080 3.416 -2.010 1.00 0.00 N ATOM 190 CA ALA A 27 -4.177 2.192 -2.908 1.00 0.00 C ATOM 191 C ALA A 27 -4.618 2.436 -4.337 1.00 0.00 C ATOM 192 O ALA A 27 -4.003 1.902 -5.257 1.00 0.00 O ATOM 193 CB ALA A 27 -5.069 1.116 -2.250 1.00 0.00 C ATOM 0 H ALA A 27 -4.636 3.383 -1.155 1.00 0.00 H new ATOM 0 HA ALA A 27 -3.147 1.848 -3.002 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -5.130 0.245 -2.903 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -4.639 0.822 -1.293 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.068 1.520 -2.090 1.00 0.00 H new ATOM 194 N THR A 28 -5.512 3.394 -4.471 1.00 0.00 N ATOM 195 CA THR A 28 -5.977 3.894 -5.815 1.00 0.00 C ATOM 196 C THR A 28 -4.782 4.552 -6.533 1.00 0.00 C ATOM 197 O THR A 28 -4.429 4.123 -7.631 1.00 0.00 O ATOM 198 CB THR A 28 -7.123 4.872 -5.561 1.00 0.00 C ATOM 199 OG1 THR A 28 -8.255 4.233 -4.970 1.00 0.00 O ATOM 200 CG2 THR A 28 -7.614 5.621 -6.825 1.00 0.00 C ATOM 0 H THR A 28 -5.952 3.865 -3.681 1.00 0.00 H new ATOM 0 HA THR A 28 -6.340 3.094 -6.460 1.00 0.00 H new ATOM 0 HB THR A 28 -6.689 5.600 -4.876 1.00 0.00 H new ATOM 0 HG1 THR A 28 -8.170 4.254 -3.994 1.00 0.00 H new ATOM 0 HG21 THR A 28 -8.428 6.294 -6.556 1.00 0.00 H new ATOM 0 HG22 THR A 28 -6.792 6.197 -7.249 1.00 0.00 H new ATOM 0 HG23 THR A 28 -7.968 4.899 -7.561 1.00 0.00 H new ATOM 201 N TYR A 29 -4.117 5.513 -5.881 1.00 0.00 N ATOM 202 CA TYR A 29 -3.039 6.291 -6.539 1.00 0.00 C ATOM 203 C TYR A 29 -1.636 5.678 -6.609 1.00 0.00 C ATOM 204 O TYR A 29 -0.924 5.976 -7.576 1.00 0.00 O ATOM 205 CB TYR A 29 -3.038 7.705 -5.971 1.00 0.00 C ATOM 206 CG TYR A 29 -4.335 8.508 -6.141 1.00 0.00 C ATOM 207 CD1 TYR A 29 -4.804 8.709 -7.467 1.00 0.00 C ATOM 208 CD2 TYR A 29 -5.010 9.073 -5.021 1.00 0.00 C ATOM 209 CE1 TYR A 29 -5.977 9.455 -7.668 1.00 0.00 C ATOM 210 CE2 TYR A 29 -6.178 9.823 -5.234 1.00 0.00 C ATOM 211 CZ TYR A 29 -6.643 10.011 -6.555 1.00 0.00 C ATOM 212 OH TYR A 29 -7.768 10.743 -6.748 1.00 0.00 O ATOM 0 H TYR A 29 -4.296 5.775 -4.912 1.00 0.00 H new ATOM 0 HA TYR A 29 -3.299 6.286 -7.598 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -2.809 7.646 -4.907 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -2.227 8.262 -6.441 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -4.267 8.295 -8.307 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -4.629 8.926 -4.021 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -6.366 9.602 -8.665 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -6.714 10.250 -4.399 1.00 0.00 H new ATOM 0 HH TYR A 29 -8.108 11.055 -5.883 1.00 0.00 H new ATOM 213 N THR A 30 -1.227 4.832 -5.662 1.00 0.00 N ATOM 214 CA THR A 30 0.095 4.157 -5.760 1.00 0.00 C ATOM 215 C THR A 30 -0.017 2.744 -6.357 1.00 0.00 C ATOM 216 O THR A 30 0.929 1.963 -6.258 1.00 0.00 O ATOM 217 CB THR A 30 0.829 4.100 -4.417 1.00 0.00 C ATOM 218 OG1 THR A 30 0.029 3.405 -3.447 1.00 0.00 O ATOM 219 CG2 THR A 30 1.258 5.478 -3.932 1.00 0.00 C ATOM 0 H THR A 30 -1.768 4.593 -4.831 1.00 0.00 H new ATOM 0 HA THR A 30 0.686 4.772 -6.439 1.00 0.00 H new ATOM 0 HB THR A 30 1.752 3.539 -4.560 1.00 0.00 H new ATOM 0 HG1 THR A 30 0.324 2.472 -3.388 1.00 0.00 H new ATOM 0 HG21 THR A 30 1.774 5.383 -2.976 1.00 0.00 H new ATOM 0 HG22 THR A 30 1.929 5.929 -4.663 1.00 0.00 H new ATOM 0 HG23 THR A 30 0.379 6.110 -3.808 1.00 0.00 H new ATOM 220 N GLY A 31 -1.206 2.431 -6.863 1.00 0.00 N ATOM 221 CA GLY A 31 -1.512 1.148 -7.523 1.00 0.00 C ATOM 222 C GLY A 31 -1.209 -0.052 -6.608 1.00 0.00 C ATOM 223 O GLY A 31 -0.552 -0.990 -7.049 1.00 0.00 O ATOM 0 H GLY A 31 -2.003 3.067 -6.830 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -2.563 1.129 -7.811 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -0.929 1.063 -8.440 1.00 0.00 H new ATOM 224 N CYS A 32 -1.621 0.053 -5.348 1.00 0.00 N ATOM 225 CA CYS A 32 -1.390 -1.066 -4.351 1.00 0.00 C ATOM 226 C CYS A 32 -2.747 -1.765 -4.251 1.00 0.00 C ATOM 227 O CYS A 32 -3.810 -1.180 -4.416 1.00 0.00 O ATOM 228 CB CYS A 32 -0.975 -0.570 -3.000 1.00 0.00 C ATOM 229 SG CYS A 32 0.631 0.311 -2.902 1.00 0.00 S ATOM 0 H CYS A 32 -2.107 0.866 -4.970 1.00 0.00 H new ATOM 0 HA CYS A 32 -0.580 -1.717 -4.680 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -1.752 0.098 -2.629 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -0.937 -1.422 -2.322 1.00 0.00 H new ATOM 230 N ILE A 33 -2.629 -3.011 -3.807 1.00 0.00 N ATOM 231 CA ILE A 33 -3.839 -3.753 -3.478 1.00 0.00 C ATOM 232 C ILE A 33 -3.917 -4.116 -1.962 1.00 0.00 C ATOM 233 O ILE A 33 -3.008 -4.727 -1.399 1.00 0.00 O ATOM 234 CB ILE A 33 -4.210 -4.949 -4.343 1.00 0.00 C ATOM 235 CG1 ILE A 33 -3.267 -6.163 -4.133 1.00 0.00 C ATOM 236 CG2 ILE A 33 -4.151 -4.579 -5.848 1.00 0.00 C ATOM 237 CD1 ILE A 33 -3.791 -7.519 -4.681 1.00 0.00 C ATOM 0 H ILE A 33 -1.750 -3.511 -3.671 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.608 -3.023 -3.732 1.00 0.00 H new ATOM 0 HB ILE A 33 -5.220 -5.224 -4.040 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.310 -5.944 -4.608 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.076 -6.272 -3.065 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -4.420 -5.449 -6.447 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.851 -3.768 -6.051 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.141 -4.260 -6.105 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -3.057 -8.300 -4.483 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -4.731 -7.771 -4.190 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -3.954 -7.439 -5.756 1.00 0.00 H new ATOM 238 N ILE A 34 -4.991 -3.697 -1.304 1.00 0.00 N ATOM 239 CA ILE A 34 -5.264 -3.981 0.110 1.00 0.00 C ATOM 240 C ILE A 34 -6.204 -5.210 0.130 1.00 0.00 C ATOM 241 O ILE A 34 -7.353 -5.112 -0.283 1.00 0.00 O ATOM 242 CB ILE A 34 -5.797 -2.715 0.796 1.00 0.00 C ATOM 243 CG1 ILE A 34 -4.665 -1.702 0.915 1.00 0.00 C ATOM 244 CG2 ILE A 34 -6.390 -3.072 2.207 1.00 0.00 C ATOM 245 CD1 ILE A 34 -5.092 -0.288 1.325 1.00 0.00 C ATOM 0 H ILE A 34 -5.719 -3.135 -1.746 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.378 -4.239 0.690 1.00 0.00 H new ATOM 0 HB ILE A 34 -6.599 -2.279 0.200 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.944 -2.072 1.644 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.149 -1.644 -0.043 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.765 -2.166 2.684 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -7.206 -3.784 2.089 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -5.611 -3.513 2.828 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.214 0.355 1.381 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.787 0.111 0.586 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.579 -0.323 2.300 1.00 0.00 H new ATOM 246 N ILE A 35 -5.649 -6.368 0.492 1.00 0.00 N ATOM 247 CA ILE A 35 -6.419 -7.638 0.490 1.00 0.00 C ATOM 248 C ILE A 35 -6.527 -8.171 1.917 1.00 0.00 C ATOM 249 O ILE A 35 -5.537 -8.089 2.669 1.00 0.00 O ATOM 250 CB ILE A 35 -5.790 -8.671 -0.475 1.00 0.00 C ATOM 251 CG1 ILE A 35 -4.334 -9.054 -0.183 1.00 0.00 C ATOM 252 CG2 ILE A 35 -6.022 -8.382 -1.964 1.00 0.00 C ATOM 253 CD1 ILE A 35 -3.196 -8.105 -0.525 1.00 0.00 C ATOM 0 H ILE A 35 -4.678 -6.465 0.790 1.00 0.00 H new ATOM 0 HA ILE A 35 -7.427 -7.447 0.122 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.368 -9.566 -0.244 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -4.266 -9.264 0.884 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.138 -9.990 -0.705 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -5.546 -9.158 -2.564 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -7.092 -8.370 -2.170 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -5.593 -7.413 -2.218 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -2.246 -8.559 -0.241 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.198 -7.906 -1.597 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -3.327 -7.169 0.018 1.00 0.00 H new ATOM 254 N PRO A 36 -7.658 -8.801 2.280 1.00 0.00 N ATOM 255 CA PRO A 36 -7.838 -9.489 3.575 1.00 0.00 C ATOM 256 C PRO A 36 -6.722 -10.484 3.938 1.00 0.00 C ATOM 257 O PRO A 36 -6.446 -10.726 5.111 1.00 0.00 O ATOM 258 CB PRO A 36 -9.169 -10.233 3.418 1.00 0.00 C ATOM 259 CG PRO A 36 -9.985 -9.306 2.514 1.00 0.00 C ATOM 260 CD PRO A 36 -8.936 -8.770 1.526 1.00 0.00 C ATOM 0 HA PRO A 36 -7.815 -8.761 4.386 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -9.030 -11.215 2.967 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -9.658 -10.390 4.379 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -10.784 -9.843 2.002 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -10.454 -8.501 3.080 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -8.883 -9.389 0.631 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -9.179 -7.759 1.200 1.00 0.00 H new ATOM 261 N GLY A 37 -6.165 -11.034 2.878 1.00 0.00 N ATOM 262 CA GLY A 37 -4.999 -11.933 2.870 1.00 0.00 C ATOM 263 C GLY A 37 -3.870 -11.383 3.758 1.00 0.00 C ATOM 264 O GLY A 37 -3.386 -10.272 3.588 1.00 0.00 O ATOM 0 H GLY A 37 -6.525 -10.864 1.939 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -5.295 -12.921 3.223 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -4.637 -12.055 1.849 1.00 0.00 H new ATOM 265 N ALA A 38 -3.456 -12.285 4.650 1.00 0.00 N ATOM 266 CA ALA A 38 -2.393 -12.047 5.662 1.00 0.00 C ATOM 267 C ALA A 38 -1.017 -11.829 5.027 1.00 0.00 C ATOM 268 O ALA A 38 -0.062 -11.400 5.680 1.00 0.00 O ATOM 269 CB ALA A 38 -2.334 -13.199 6.682 1.00 0.00 C ATOM 0 H ALA A 38 -3.850 -13.224 4.700 1.00 0.00 H new ATOM 0 HA ALA A 38 -2.660 -11.127 6.182 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -1.548 -13.000 7.411 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.292 -13.280 7.195 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -2.119 -14.133 6.163 1.00 0.00 H new ATOM 270 N THR A 39 -0.916 -12.227 3.756 1.00 0.00 N ATOM 271 CA THR A 39 0.312 -12.026 2.920 1.00 0.00 C ATOM 272 C THR A 39 -0.046 -11.580 1.508 1.00 0.00 C ATOM 273 O THR A 39 -1.207 -11.566 1.095 1.00 0.00 O ATOM 274 CB THR A 39 1.202 -13.243 3.108 1.00 0.00 C ATOM 275 OG1 THR A 39 2.574 -12.819 3.048 1.00 0.00 O ATOM 276 CG2 THR A 39 1.080 -14.356 2.027 1.00 0.00 C ATOM 0 H THR A 39 -1.672 -12.699 3.261 1.00 0.00 H new ATOM 0 HA THR A 39 0.926 -11.185 3.242 1.00 0.00 H new ATOM 0 HB THR A 39 0.880 -13.665 4.060 1.00 0.00 H new ATOM 0 HG1 THR A 39 3.161 -13.594 3.170 1.00 0.00 H new ATOM 0 HG21 THR A 39 1.762 -15.172 2.267 1.00 0.00 H new ATOM 0 HG22 THR A 39 0.057 -14.732 2.006 1.00 0.00 H new ATOM 0 HG23 THR A 39 1.336 -13.944 1.051 1.00 0.00 H new ATOM 277 N CYS A 40 1.029 -11.229 0.837 1.00 0.00 N ATOM 278 CA CYS A 40 1.041 -10.611 -0.484 1.00 0.00 C ATOM 279 C CYS A 40 1.123 -11.620 -1.648 1.00 0.00 C ATOM 280 O CYS A 40 1.832 -12.632 -1.526 1.00 0.00 O ATOM 281 CB CYS A 40 2.180 -9.621 -0.560 1.00 0.00 C ATOM 282 SG CYS A 40 1.993 -8.207 0.590 1.00 0.00 S ATOM 0 H CYS A 40 1.968 -11.371 1.210 1.00 0.00 H new ATOM 0 HA CYS A 40 0.084 -10.104 -0.605 1.00 0.00 H new ATOM 0 HB2 CYS A 40 3.115 -10.137 -0.341 1.00 0.00 H new ATOM 0 HB3 CYS A 40 2.256 -9.243 -1.580 1.00 0.00 H new ATOM 283 N PRO A 41 0.434 -11.345 -2.756 1.00 0.00 N ATOM 284 CA PRO A 41 0.461 -12.193 -3.956 1.00 0.00 C ATOM 285 C PRO A 41 1.780 -11.962 -4.698 1.00 0.00 C ATOM 286 O PRO A 41 2.386 -10.889 -4.591 1.00 0.00 O ATOM 287 CB PRO A 41 -0.738 -11.746 -4.805 1.00 0.00 C ATOM 288 CG PRO A 41 -1.059 -10.329 -4.351 1.00 0.00 C ATOM 289 CD PRO A 41 -0.511 -10.231 -2.917 1.00 0.00 C ATOM 0 HA PRO A 41 0.396 -13.256 -3.725 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -0.496 -11.771 -5.868 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -1.591 -12.408 -4.656 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -0.591 -9.591 -5.003 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -2.132 -10.141 -4.376 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -0.014 -9.274 -2.756 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -1.318 -10.298 -2.188 1.00 0.00 H new ATOM 290 N GLY A 42 2.064 -12.909 -5.578 1.00 0.00 N ATOM 291 CA GLY A 42 3.241 -12.916 -6.482 1.00 0.00 C ATOM 292 C GLY A 42 3.395 -11.634 -7.329 1.00 0.00 C ATOM 293 O GLY A 42 4.482 -11.363 -7.812 1.00 0.00 O ATOM 0 H GLY A 42 1.471 -13.730 -5.700 1.00 0.00 H new ATOM 0 HA2 GLY A 42 4.143 -13.055 -5.885 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.166 -13.773 -7.151 1.00 0.00 H new ATOM 294 N ASP A 43 2.306 -10.893 -7.489 1.00 0.00 N ATOM 295 CA ASP A 43 2.322 -9.634 -8.255 1.00 0.00 C ATOM 296 C ASP A 43 2.261 -8.324 -7.451 1.00 0.00 C ATOM 297 O ASP A 43 2.339 -7.247 -8.042 1.00 0.00 O ATOM 298 CB ASP A 43 1.216 -9.679 -9.345 1.00 0.00 C ATOM 299 CG ASP A 43 -0.219 -9.654 -8.809 1.00 0.00 C ATOM 300 OD1 ASP A 43 -0.430 -10.108 -7.653 1.00 0.00 O ATOM 301 OD2 ASP A 43 -1.095 -9.202 -9.566 1.00 0.00 O ATOM 0 H ASP A 43 1.394 -11.135 -7.101 1.00 0.00 H new ATOM 0 HA ASP A 43 3.316 -9.593 -8.699 1.00 0.00 H new ATOM 0 HB2 ASP A 43 1.353 -8.831 -10.016 1.00 0.00 H new ATOM 0 HB3 ASP A 43 1.350 -10.582 -9.941 1.00 0.00 H new ATOM 302 N TYR A 44 2.067 -8.419 -6.139 1.00 0.00 N ATOM 303 CA TYR A 44 2.119 -7.221 -5.252 1.00 0.00 C ATOM 304 C TYR A 44 3.106 -7.396 -4.088 1.00 0.00 C ATOM 305 O TYR A 44 2.979 -6.756 -3.047 1.00 0.00 O ATOM 306 CB TYR A 44 0.742 -6.814 -4.767 1.00 0.00 C ATOM 307 CG TYR A 44 -0.070 -6.013 -5.771 1.00 0.00 C ATOM 308 CD1 TYR A 44 0.072 -4.617 -5.850 1.00 0.00 C ATOM 309 CD2 TYR A 44 -0.874 -6.719 -6.655 1.00 0.00 C ATOM 310 CE1 TYR A 44 -0.478 -3.934 -6.936 1.00 0.00 C ATOM 311 CE2 TYR A 44 -1.487 -6.046 -7.737 1.00 0.00 C ATOM 312 CZ TYR A 44 -1.254 -4.659 -7.861 1.00 0.00 C ATOM 313 OH TYR A 44 -1.836 -3.948 -8.864 1.00 0.00 O ATOM 0 H TYR A 44 1.873 -9.295 -5.654 1.00 0.00 H new ATOM 0 HA TYR A 44 2.499 -6.402 -5.862 1.00 0.00 H new ATOM 0 HB2 TYR A 44 0.184 -7.712 -4.502 1.00 0.00 H new ATOM 0 HB3 TYR A 44 0.851 -6.226 -3.856 1.00 0.00 H new ATOM 0 HD1 TYR A 44 0.601 -4.078 -5.078 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -1.031 -7.779 -6.517 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -0.312 -2.874 -7.064 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -2.111 -6.574 -8.443 1.00 0.00 H new ATOM 0 HH TYR A 44 -2.346 -4.554 -9.441 1.00 0.00 H new ATOM 314 N ALA A 45 4.117 -8.230 -4.289 1.00 0.00 N ATOM 315 CA ALA A 45 5.144 -8.433 -3.268 1.00 0.00 C ATOM 316 C ALA A 45 6.298 -7.429 -3.254 1.00 0.00 C ATOM 317 O ALA A 45 7.256 -7.515 -4.026 1.00 0.00 O ATOM 318 CB ALA A 45 5.685 -9.909 -3.325 1.00 0.00 C ATOM 0 H ALA A 45 4.251 -8.774 -5.141 1.00 0.00 H new ATOM 0 HA ALA A 45 4.629 -8.247 -2.325 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.449 -10.046 -2.560 1.00 0.00 H new ATOM 0 HB2 ALA A 45 4.865 -10.604 -3.148 1.00 0.00 H new ATOM 0 HB3 ALA A 45 6.117 -10.100 -4.307 1.00 0.00 H new ATOM 319 N ASN A 46 6.087 -6.401 -2.439 1.00 0.00 N ATOM 320 CA ASN A 46 6.985 -5.252 -2.167 1.00 0.00 C ATOM 321 C ASN A 46 8.467 -5.517 -2.550 1.00 0.00 C ATOM 322 O ASN A 46 8.920 -4.833 -3.490 1.00 0.00 O ATOM 323 CB ASN A 46 6.763 -4.894 -0.727 1.00 0.00 C ATOM 324 CG ASN A 46 5.391 -4.403 -0.309 1.00 0.00 C ATOM 325 OD1 ASN A 46 4.322 -4.814 -0.743 1.00 0.00 O ATOM 326 ND2 ASN A 46 5.483 -3.511 0.643 1.00 0.00 N ATOM 327 OXT ASN A 46 9.122 -6.246 -1.793 1.00 0.00 O ATOM 0 H ASN A 46 5.222 -6.331 -1.904 1.00 0.00 H new ATOM 0 HA ASN A 46 6.743 -4.402 -2.805 1.00 0.00 H new ATOM 0 HB2 ASN A 46 6.998 -5.773 -0.126 1.00 0.00 H new ATOM 0 HB3 ASN A 46 7.487 -4.123 -0.461 1.00 0.00 H new ATOM 0 HD21 ASN A 46 4.638 -3.123 1.061 1.00 0.00 H new ATOM 0 HD22 ASN A 46 6.400 -3.204 0.967 1.00 0.00 H new TER 328 ASN A 46