USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 761 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 MET CE :methyl -135:sc= -1.53 (180deg=-2.44!) USER MOD Single : A 1 MET N :NH3+ -122:sc= 0.0862 (180deg=-0.276) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 HIS : no HD1:sc= -1.35 K(o=-1.3,f=-2.7!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot -9:sc= -2.03 USER MOD Single : A 12 HIS : no HD1:sc= -0.567 X(o=-0.57,f=-0.23) USER MOD Single : A 23 THR OG1 : rot -90:sc= -1.13 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot -59:sc= -2.06 USER MOD Single : A 31 GLN : amide:sc= -0.0202 X(o=-0.02,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 159:sc= 1.03 (180deg=0.744) USER MOD Single : A 41 LYS NZ :NH3+ -141:sc= 1.05 (180deg=-0.902) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 98:sc= -3.12 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -0.0905 X(o=-0.091,f=-0.37) USER MOD Single : A 61 SER OG : rot 87:sc= -1.37 USER MOD Single : A 66 LYS NZ :NH3+ -126:sc= -0.0322 (180deg=-0.394) USER MOD Single : A 75 LYS NZ :NH3+ -113:sc= 0 (180deg=-0.153) USER MOD Single : A 87 HIS : no HD1:sc= -0.0769 X(o=-0.077,f=-0.14) USER MOD Single : A 88 TYR OH : rot 171:sc= 0.0669 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=-0.028) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 83.862 13.417 0.564 1.00 1.31 N ATOM 2 CA MET A 1 84.019 13.478 -0.918 1.00 0.79 C ATOM 3 C MET A 1 82.681 13.787 -1.588 1.00 0.68 C ATOM 4 O MET A 1 81.707 14.113 -0.933 1.00 0.82 O ATOM 5 CB MET A 1 84.511 12.089 -1.325 1.00 1.18 C ATOM 6 CG MET A 1 85.980 11.938 -0.934 1.00 1.69 C ATOM 7 SD MET A 1 86.612 10.361 -1.558 1.00 2.57 S ATOM 8 CE MET A 1 85.464 9.286 -0.663 1.00 2.76 C ATOM 0 H1 MET A 1 84.494 14.112 1.009 1.00 1.31 H new ATOM 0 H2 MET A 1 82.877 13.633 0.818 1.00 1.31 H new ATOM 0 H3 MET A 1 84.105 12.463 0.900 1.00 1.31 H new ATOM 0 HA MET A 1 84.712 14.263 -1.222 1.00 0.79 H new ATOM 0 HB2 MET A 1 83.912 11.321 -0.836 1.00 1.18 H new ATOM 0 HB3 MET A 1 84.393 11.949 -2.400 1.00 1.18 H new ATOM 0 HG2 MET A 1 86.563 12.763 -1.343 1.00 1.69 H new ATOM 0 HG3 MET A 1 86.085 11.981 0.150 1.00 1.69 H new ATOM 0 HE1 MET A 1 86.013 8.453 -0.224 1.00 2.76 H new ATOM 0 HE2 MET A 1 84.974 9.855 0.128 1.00 2.76 H new ATOM 0 HE3 MET A 1 84.712 8.902 -1.353 1.00 2.76 H new ATOM 20 N ASP A 2 82.631 13.676 -2.891 1.00 0.57 N ATOM 21 CA ASP A 2 81.359 13.949 -3.629 1.00 0.50 C ATOM 22 C ASP A 2 80.402 12.765 -3.484 1.00 0.41 C ATOM 23 O ASP A 2 80.813 11.620 -3.524 1.00 0.38 O ATOM 24 CB ASP A 2 81.772 14.125 -5.094 1.00 0.54 C ATOM 25 CG ASP A 2 82.673 15.357 -5.239 1.00 0.92 C ATOM 26 OD1 ASP A 2 82.522 16.280 -4.452 1.00 1.37 O ATOM 27 OD2 ASP A 2 83.497 15.359 -6.138 1.00 1.70 O ATOM 0 H ASP A 2 83.420 13.407 -3.479 1.00 0.57 H new ATOM 0 HA ASP A 2 80.843 14.829 -3.245 1.00 0.50 H new ATOM 0 HB2 ASP A 2 82.298 13.236 -5.442 1.00 0.54 H new ATOM 0 HB3 ASP A 2 80.886 14.236 -5.720 1.00 0.54 H new ATOM 32 N VAL A 3 79.125 13.035 -3.352 1.00 0.40 N ATOM 33 CA VAL A 3 78.128 11.938 -3.244 1.00 0.33 C ATOM 34 C VAL A 3 77.014 12.146 -4.281 1.00 0.31 C ATOM 35 O VAL A 3 76.633 13.266 -4.571 1.00 0.37 O ATOM 36 CB VAL A 3 77.620 12.010 -1.787 1.00 0.36 C ATOM 37 CG1 VAL A 3 76.598 13.145 -1.583 1.00 0.41 C ATOM 38 CG2 VAL A 3 76.974 10.675 -1.412 1.00 0.30 C ATOM 0 H VAL A 3 78.734 13.976 -3.315 1.00 0.40 H new ATOM 0 HA VAL A 3 78.539 10.951 -3.454 1.00 0.33 H new ATOM 0 HB VAL A 3 78.477 12.217 -1.146 1.00 0.36 H new ATOM 0 HG11 VAL A 3 76.269 13.156 -0.544 1.00 0.41 H new ATOM 0 HG12 VAL A 3 77.062 14.101 -1.827 1.00 0.41 H new ATOM 0 HG13 VAL A 3 75.739 12.982 -2.233 1.00 0.41 H new ATOM 0 HG21 VAL A 3 76.614 10.721 -0.384 1.00 0.30 H new ATOM 0 HG22 VAL A 3 76.137 10.475 -2.081 1.00 0.30 H new ATOM 0 HG23 VAL A 3 77.710 9.876 -1.503 1.00 0.30 H new ATOM 48 N LEU A 4 76.541 11.084 -4.869 1.00 0.26 N ATOM 49 CA LEU A 4 75.501 11.212 -5.935 1.00 0.28 C ATOM 50 C LEU A 4 74.089 11.177 -5.323 1.00 0.28 C ATOM 51 O LEU A 4 73.136 11.628 -5.932 1.00 0.30 O ATOM 52 CB LEU A 4 75.724 10.011 -6.873 1.00 0.27 C ATOM 53 CG LEU A 4 77.202 9.909 -7.317 1.00 0.27 C ATOM 54 CD1 LEU A 4 77.346 8.785 -8.344 1.00 0.36 C ATOM 55 CD2 LEU A 4 77.674 11.234 -7.940 1.00 0.37 C ATOM 0 H LEU A 4 76.829 10.128 -4.659 1.00 0.26 H new ATOM 0 HA LEU A 4 75.583 12.158 -6.470 1.00 0.28 H new ATOM 0 HB2 LEU A 4 75.431 9.092 -6.366 1.00 0.27 H new ATOM 0 HB3 LEU A 4 75.085 10.109 -7.750 1.00 0.27 H new ATOM 0 HG LEU A 4 77.817 9.696 -6.442 1.00 0.27 H new ATOM 0 HD11 LEU A 4 78.387 8.711 -8.659 1.00 0.36 H new ATOM 0 HD12 LEU A 4 77.034 7.841 -7.897 1.00 0.36 H new ATOM 0 HD13 LEU A 4 76.720 9.001 -9.210 1.00 0.36 H new ATOM 0 HD21 LEU A 4 78.716 11.141 -8.246 1.00 0.37 H new ATOM 0 HD22 LEU A 4 77.060 11.466 -8.810 1.00 0.37 H new ATOM 0 HD23 LEU A 4 77.581 12.035 -7.206 1.00 0.37 H new ATOM 67 N ALA A 5 73.955 10.694 -4.104 1.00 0.25 N ATOM 68 CA ALA A 5 72.620 10.686 -3.427 1.00 0.25 C ATOM 69 C ALA A 5 72.789 10.267 -1.965 1.00 0.23 C ATOM 70 O ALA A 5 73.735 9.587 -1.618 1.00 0.25 O ATOM 71 CB ALA A 5 71.777 9.655 -4.186 1.00 0.26 C ATOM 0 H ALA A 5 74.718 10.305 -3.551 1.00 0.25 H new ATOM 0 HA ALA A 5 72.148 11.668 -3.435 1.00 0.25 H new ATOM 0 HB1 ALA A 5 70.784 9.598 -3.741 1.00 0.26 H new ATOM 0 HB2 ALA A 5 71.690 9.954 -5.231 1.00 0.26 H new ATOM 0 HB3 ALA A 5 72.257 8.678 -4.127 1.00 0.26 H new ATOM 77 N LYS A 6 71.880 10.668 -1.112 1.00 0.22 N ATOM 78 CA LYS A 6 71.981 10.299 0.334 1.00 0.22 C ATOM 79 C LYS A 6 70.626 9.802 0.847 1.00 0.21 C ATOM 80 O LYS A 6 69.626 10.487 0.731 1.00 0.23 O ATOM 81 CB LYS A 6 72.376 11.597 1.040 1.00 0.24 C ATOM 82 CG LYS A 6 72.567 11.335 2.536 1.00 1.40 C ATOM 83 CD LYS A 6 72.699 12.668 3.276 1.00 1.50 C ATOM 84 CE LYS A 6 74.013 13.343 2.881 1.00 1.79 C ATOM 85 NZ LYS A 6 74.177 14.463 3.850 1.00 2.30 N ATOM 0 H LYS A 6 71.069 11.237 -1.355 1.00 0.22 H new ATOM 0 HA LYS A 6 72.701 9.500 0.511 1.00 0.22 H new ATOM 0 HB2 LYS A 6 73.297 11.990 0.610 1.00 0.24 H new ATOM 0 HB3 LYS A 6 71.605 12.353 0.889 1.00 0.24 H new ATOM 0 HG2 LYS A 6 71.720 10.772 2.928 1.00 1.40 H new ATOM 0 HG3 LYS A 6 73.457 10.727 2.699 1.00 1.40 H new ATOM 0 HD2 LYS A 6 71.857 13.316 3.032 1.00 1.50 H new ATOM 0 HD3 LYS A 6 72.672 12.502 4.353 1.00 1.50 H new ATOM 0 HE2 LYS A 6 74.848 12.645 2.939 1.00 1.79 H new ATOM 0 HE3 LYS A 6 73.975 13.710 1.856 1.00 1.79 H new ATOM 0 HZ1 LYS A 6 75.058 14.975 3.643 1.00 2.30 H new ATOM 0 HZ2 LYS A 6 73.371 15.115 3.767 1.00 2.30 H new ATOM 0 HZ3 LYS A 6 74.217 14.082 4.817 1.00 2.30 H new ATOM 99 N PHE A 7 70.596 8.635 1.450 1.00 0.19 N ATOM 100 CA PHE A 7 69.311 8.114 2.016 1.00 0.19 C ATOM 101 C PHE A 7 69.576 7.244 3.253 1.00 0.17 C ATOM 102 O PHE A 7 70.695 6.849 3.510 1.00 0.16 O ATOM 103 CB PHE A 7 68.672 7.309 0.873 1.00 0.20 C ATOM 104 CG PHE A 7 69.524 6.110 0.512 1.00 0.19 C ATOM 105 CD1 PHE A 7 70.776 6.293 -0.162 1.00 0.19 C ATOM 106 CD2 PHE A 7 69.073 4.788 0.842 1.00 0.19 C ATOM 107 CE1 PHE A 7 71.580 5.155 -0.504 1.00 0.19 C ATOM 108 CE2 PHE A 7 69.877 3.650 0.499 1.00 0.20 C ATOM 109 CZ PHE A 7 71.129 3.831 -0.173 1.00 0.20 C ATOM 0 H PHE A 7 71.403 8.024 1.574 1.00 0.19 H new ATOM 0 HA PHE A 7 68.650 8.912 2.355 1.00 0.19 H new ATOM 0 HB2 PHE A 7 67.677 6.977 1.169 1.00 0.20 H new ATOM 0 HB3 PHE A 7 68.548 7.948 -0.001 1.00 0.20 H new ATOM 0 HD1 PHE A 7 71.114 7.288 -0.412 1.00 0.19 H new ATOM 0 HD2 PHE A 7 68.129 4.650 1.348 1.00 0.19 H new ATOM 0 HE1 PHE A 7 72.524 5.293 -1.010 1.00 0.19 H new ATOM 0 HE2 PHE A 7 69.538 2.655 0.748 1.00 0.20 H new ATOM 0 HZ PHE A 7 71.733 2.974 -0.431 1.00 0.20 H new ATOM 119 N HIS A 8 68.564 7.008 4.052 1.00 0.18 N ATOM 120 CA HIS A 8 68.759 6.236 5.320 1.00 0.18 C ATOM 121 C HIS A 8 68.016 4.896 5.248 1.00 0.17 C ATOM 122 O HIS A 8 66.879 4.829 4.820 1.00 0.18 O ATOM 123 CB HIS A 8 68.158 7.118 6.414 1.00 0.20 C ATOM 124 CG HIS A 8 68.937 8.400 6.513 1.00 0.77 C ATOM 125 ND1 HIS A 8 68.605 9.524 5.774 1.00 1.41 N ATOM 126 CD2 HIS A 8 70.032 8.753 7.260 1.00 1.61 C ATOM 127 CE1 HIS A 8 69.486 10.492 6.090 1.00 1.81 C ATOM 128 NE2 HIS A 8 70.377 10.075 6.993 1.00 1.99 N ATOM 0 H HIS A 8 67.608 7.318 3.880 1.00 0.18 H new ATOM 0 HA HIS A 8 69.809 6.008 5.505 1.00 0.18 H new ATOM 0 HB2 HIS A 8 67.113 7.332 6.189 1.00 0.20 H new ATOM 0 HB3 HIS A 8 68.178 6.594 7.370 1.00 0.20 H new ATOM 0 HD2 HIS A 8 70.549 8.103 7.951 1.00 1.61 H new ATOM 0 HE1 HIS A 8 69.474 11.485 5.665 1.00 1.81 H new ATOM 0 HE2 HIS A 8 71.145 10.610 7.399 1.00 1.99 H new ATOM 136 N THR A 9 68.637 3.847 5.722 1.00 0.16 N ATOM 137 CA THR A 9 67.968 2.510 5.755 1.00 0.17 C ATOM 138 C THR A 9 68.529 1.685 6.926 1.00 0.16 C ATOM 139 O THR A 9 69.603 1.970 7.416 1.00 0.15 O ATOM 140 CB THR A 9 68.280 1.864 4.388 1.00 0.17 C ATOM 141 OG1 THR A 9 67.518 0.674 4.248 1.00 0.18 O ATOM 142 CG2 THR A 9 69.773 1.532 4.265 1.00 0.17 C ATOM 0 H THR A 9 69.588 3.859 6.091 1.00 0.16 H new ATOM 0 HA THR A 9 66.891 2.574 5.910 1.00 0.17 H new ATOM 0 HB THR A 9 68.019 2.572 3.601 1.00 0.17 H new ATOM 0 HG1 THR A 9 67.712 0.262 3.380 1.00 0.18 H new ATOM 0 HG21 THR A 9 69.966 1.078 3.293 1.00 0.17 H new ATOM 0 HG22 THR A 9 70.358 2.447 4.361 1.00 0.17 H new ATOM 0 HG23 THR A 9 70.057 0.835 5.054 1.00 0.17 H new ATOM 150 N THR A 10 67.841 0.647 7.341 1.00 0.17 N ATOM 151 CA THR A 10 68.382 -0.215 8.440 1.00 0.17 C ATOM 152 C THR A 10 68.811 -1.579 7.880 1.00 0.17 C ATOM 153 O THR A 10 68.392 -1.977 6.808 1.00 0.17 O ATOM 154 CB THR A 10 67.249 -0.331 9.494 1.00 0.17 C ATOM 155 OG1 THR A 10 67.792 -0.796 10.717 1.00 0.17 O ATOM 156 CG2 THR A 10 66.148 -1.305 9.056 1.00 0.17 C ATOM 0 H THR A 10 66.935 0.361 6.969 1.00 0.17 H new ATOM 0 HA THR A 10 69.274 0.211 8.900 1.00 0.17 H new ATOM 0 HB THR A 10 66.808 0.659 9.607 1.00 0.17 H new ATOM 0 HG1 THR A 10 68.720 -1.079 10.577 1.00 0.17 H new ATOM 0 HG21 THR A 10 65.377 -1.353 9.825 1.00 0.17 H new ATOM 0 HG22 THR A 10 65.707 -0.959 8.121 1.00 0.17 H new ATOM 0 HG23 THR A 10 66.577 -2.296 8.909 1.00 0.17 H new ATOM 164 N VAL A 11 69.675 -2.265 8.581 1.00 0.17 N ATOM 165 CA VAL A 11 70.182 -3.579 8.078 1.00 0.17 C ATOM 166 C VAL A 11 69.149 -4.676 8.340 1.00 0.17 C ATOM 167 O VAL A 11 68.643 -4.811 9.435 1.00 0.17 O ATOM 168 CB VAL A 11 71.471 -3.854 8.868 1.00 0.21 C ATOM 169 CG1 VAL A 11 72.090 -5.177 8.397 1.00 0.29 C ATOM 170 CG2 VAL A 11 72.474 -2.711 8.642 1.00 0.49 C ATOM 0 H VAL A 11 70.053 -1.973 9.482 1.00 0.17 H new ATOM 0 HA VAL A 11 70.367 -3.560 7.004 1.00 0.17 H new ATOM 0 HB VAL A 11 71.233 -3.920 9.930 1.00 0.21 H new ATOM 0 HG11 VAL A 11 73.004 -5.371 8.958 1.00 0.29 H new ATOM 0 HG12 VAL A 11 71.383 -5.989 8.564 1.00 0.29 H new ATOM 0 HG13 VAL A 11 72.323 -5.112 7.334 1.00 0.29 H new ATOM 0 HG21 VAL A 11 73.386 -2.911 9.204 1.00 0.49 H new ATOM 0 HG22 VAL A 11 72.711 -2.639 7.580 1.00 0.49 H new ATOM 0 HG23 VAL A 11 72.037 -1.771 8.981 1.00 0.49 H new ATOM 180 N HIS A 12 68.931 -5.521 7.369 1.00 0.21 N ATOM 181 CA HIS A 12 68.044 -6.706 7.572 1.00 0.25 C ATOM 182 C HIS A 12 68.866 -7.985 7.463 1.00 0.25 C ATOM 183 O HIS A 12 70.046 -7.954 7.170 1.00 0.25 O ATOM 184 CB HIS A 12 66.992 -6.653 6.468 1.00 0.26 C ATOM 185 CG HIS A 12 65.857 -5.770 6.907 1.00 0.31 C ATOM 186 ND1 HIS A 12 66.030 -4.419 7.159 1.00 0.24 N ATOM 187 CD2 HIS A 12 64.532 -6.031 7.151 1.00 0.68 C ATOM 188 CE1 HIS A 12 64.839 -3.922 7.539 1.00 0.23 C ATOM 189 NE2 HIS A 12 63.890 -4.863 7.550 1.00 0.56 N ATOM 0 H HIS A 12 69.333 -5.441 6.435 1.00 0.21 H new ATOM 0 HA HIS A 12 67.575 -6.694 8.556 1.00 0.25 H new ATOM 0 HB2 HIS A 12 67.432 -6.269 5.548 1.00 0.26 H new ATOM 0 HB3 HIS A 12 66.625 -7.656 6.251 1.00 0.26 H new ATOM 0 HD2 HIS A 12 64.059 -6.997 7.049 1.00 0.68 H new ATOM 0 HE1 HIS A 12 64.670 -2.888 7.803 1.00 0.23 H new ATOM 0 HE2 HIS A 12 62.907 -4.749 7.798 1.00 0.56 H new ATOM 197 N ARG A 13 68.268 -9.104 7.778 1.00 0.29 N ATOM 198 CA ARG A 13 69.014 -10.411 7.787 1.00 0.32 C ATOM 199 C ARG A 13 69.867 -10.597 6.517 1.00 0.29 C ATOM 200 O ARG A 13 69.614 -9.994 5.493 1.00 0.24 O ATOM 201 CB ARG A 13 67.916 -11.472 7.835 1.00 0.36 C ATOM 202 CG ARG A 13 67.233 -11.443 9.205 1.00 0.72 C ATOM 203 CD ARG A 13 66.208 -12.579 9.292 1.00 1.16 C ATOM 204 NE ARG A 13 65.443 -12.334 10.559 1.00 1.81 N ATOM 205 CZ ARG A 13 64.544 -13.196 11.005 1.00 2.39 C ATOM 206 NH1 ARG A 13 64.271 -14.312 10.364 1.00 2.96 N ATOM 207 NH2 ARG A 13 63.908 -12.930 12.113 1.00 2.76 N ATOM 0 H ARG A 13 67.283 -9.175 8.033 1.00 0.29 H new ATOM 0 HA ARG A 13 69.708 -10.467 8.626 1.00 0.32 H new ATOM 0 HB2 ARG A 13 67.184 -11.288 7.049 1.00 0.36 H new ATOM 0 HB3 ARG A 13 68.341 -12.458 7.650 1.00 0.36 H new ATOM 0 HG2 ARG A 13 67.976 -11.549 9.995 1.00 0.72 H new ATOM 0 HG3 ARG A 13 66.740 -10.483 9.357 1.00 0.72 H new ATOM 0 HD2 ARG A 13 65.545 -12.576 8.427 1.00 1.16 H new ATOM 0 HD3 ARG A 13 66.701 -13.551 9.313 1.00 1.16 H new ATOM 0 HE ARG A 13 65.620 -11.481 11.090 1.00 1.81 H new ATOM 0 HH11 ARG A 13 64.758 -14.534 9.496 1.00 2.96 H new ATOM 0 HH12 ARG A 13 63.572 -14.955 10.735 1.00 2.96 H new ATOM 0 HH21 ARG A 13 64.107 -12.068 12.621 1.00 2.76 H new ATOM 0 HH22 ARG A 13 63.212 -13.584 12.471 1.00 2.76 H new ATOM 221 N ILE A 14 70.937 -11.353 6.623 1.00 0.34 N ATOM 222 CA ILE A 14 71.912 -11.536 5.483 1.00 0.34 C ATOM 223 C ILE A 14 72.593 -10.215 5.066 1.00 0.28 C ATOM 224 O ILE A 14 73.305 -10.188 4.078 1.00 0.29 O ATOM 225 CB ILE A 14 71.111 -12.106 4.294 1.00 0.36 C ATOM 226 CG1 ILE A 14 70.350 -13.365 4.720 1.00 0.31 C ATOM 227 CG2 ILE A 14 72.076 -12.470 3.164 1.00 0.42 C ATOM 228 CD1 ILE A 14 69.331 -13.724 3.637 1.00 0.36 C ATOM 0 H ILE A 14 71.185 -11.865 7.470 1.00 0.34 H new ATOM 0 HA ILE A 14 72.711 -12.207 5.799 1.00 0.34 H new ATOM 0 HB ILE A 14 70.399 -11.353 3.956 1.00 0.36 H new ATOM 0 HG12 ILE A 14 71.045 -14.191 4.871 1.00 0.31 H new ATOM 0 HG13 ILE A 14 69.844 -13.195 5.671 1.00 0.31 H new ATOM 0 HG21 ILE A 14 71.514 -12.873 2.322 1.00 0.42 H new ATOM 0 HG22 ILE A 14 72.617 -11.579 2.846 1.00 0.42 H new ATOM 0 HG23 ILE A 14 72.786 -13.218 3.518 1.00 0.42 H new ATOM 0 HD11 ILE A 14 68.785 -14.620 3.934 1.00 0.36 H new ATOM 0 HD12 ILE A 14 68.631 -12.899 3.508 1.00 0.36 H new ATOM 0 HD13 ILE A 14 69.850 -13.910 2.697 1.00 0.36 H new ATOM 240 N GLY A 15 72.407 -9.134 5.798 1.00 0.24 N ATOM 241 CA GLY A 15 73.075 -7.848 5.422 1.00 0.20 C ATOM 242 C GLY A 15 72.329 -7.175 4.258 1.00 0.17 C ATOM 243 O GLY A 15 72.887 -6.338 3.570 1.00 0.15 O ATOM 0 H GLY A 15 71.824 -9.091 6.634 1.00 0.24 H new ATOM 0 HA2 GLY A 15 73.099 -7.179 6.282 1.00 0.20 H new ATOM 0 HA3 GLY A 15 74.110 -8.038 5.137 1.00 0.20 H new ATOM 247 N ARG A 16 71.108 -7.584 3.982 1.00 0.18 N ATOM 248 CA ARG A 16 70.369 -7.022 2.810 1.00 0.18 C ATOM 249 C ARG A 16 69.693 -5.702 3.191 1.00 0.19 C ATOM 250 O ARG A 16 69.095 -5.591 4.245 1.00 0.24 O ATOM 251 CB ARG A 16 69.322 -8.086 2.464 1.00 0.26 C ATOM 252 CG ARG A 16 68.564 -7.684 1.199 1.00 0.26 C ATOM 253 CD ARG A 16 67.461 -8.710 0.924 1.00 0.76 C ATOM 254 NE ARG A 16 66.976 -8.405 -0.459 1.00 0.91 N ATOM 255 CZ ARG A 16 65.779 -8.782 -0.877 1.00 1.31 C ATOM 256 NH1 ARG A 16 64.952 -9.455 -0.108 1.00 1.96 N ATOM 257 NH2 ARG A 16 65.411 -8.484 -2.093 1.00 1.41 N ATOM 0 H ARG A 16 70.596 -8.283 4.520 1.00 0.18 H new ATOM 0 HA ARG A 16 71.027 -6.805 1.968 1.00 0.18 H new ATOM 0 HB2 ARG A 16 69.807 -9.051 2.316 1.00 0.26 H new ATOM 0 HB3 ARG A 16 68.625 -8.204 3.293 1.00 0.26 H new ATOM 0 HG2 ARG A 16 68.131 -6.691 1.320 1.00 0.26 H new ATOM 0 HG3 ARG A 16 69.248 -7.632 0.352 1.00 0.26 H new ATOM 0 HD2 ARG A 16 67.845 -9.728 0.991 1.00 0.76 H new ATOM 0 HD3 ARG A 16 66.654 -8.625 1.652 1.00 0.76 H new ATOM 0 HE ARG A 16 67.585 -7.892 -1.097 1.00 0.91 H new ATOM 0 HH11 ARG A 16 65.226 -9.702 0.843 1.00 1.96 H new ATOM 0 HH12 ARG A 16 64.036 -9.730 -0.462 1.00 1.96 H new ATOM 0 HH21 ARG A 16 66.043 -7.968 -2.705 1.00 1.41 H new ATOM 0 HH22 ARG A 16 64.491 -8.767 -2.431 1.00 1.41 H new ATOM 271 N ILE A 17 69.695 -4.741 2.298 1.00 0.18 N ATOM 272 CA ILE A 17 68.938 -3.474 2.546 1.00 0.21 C ATOM 273 C ILE A 17 68.130 -3.099 1.299 1.00 0.19 C ATOM 274 O ILE A 17 68.514 -3.425 0.191 1.00 0.15 O ATOM 275 CB ILE A 17 69.998 -2.405 2.868 1.00 0.24 C ATOM 276 CG1 ILE A 17 70.944 -2.213 1.672 1.00 0.23 C ATOM 277 CG2 ILE A 17 70.811 -2.838 4.090 1.00 0.26 C ATOM 278 CD1 ILE A 17 71.765 -0.930 1.858 1.00 0.30 C ATOM 0 H ILE A 17 70.189 -4.780 1.407 1.00 0.18 H new ATOM 0 HA ILE A 17 68.227 -3.573 3.367 1.00 0.21 H new ATOM 0 HB ILE A 17 69.491 -1.463 3.077 1.00 0.24 H new ATOM 0 HG12 ILE A 17 71.610 -3.071 1.582 1.00 0.23 H new ATOM 0 HG13 ILE A 17 70.369 -2.157 0.748 1.00 0.23 H new ATOM 0 HG21 ILE A 17 71.561 -2.080 4.316 1.00 0.26 H new ATOM 0 HG22 ILE A 17 70.146 -2.957 4.946 1.00 0.26 H new ATOM 0 HG23 ILE A 17 71.306 -3.786 3.880 1.00 0.26 H new ATOM 0 HD11 ILE A 17 72.434 -0.799 1.007 1.00 0.30 H new ATOM 0 HD12 ILE A 17 71.093 -0.075 1.926 1.00 0.30 H new ATOM 0 HD13 ILE A 17 72.352 -1.003 2.773 1.00 0.30 H new ATOM 290 N ILE A 18 67.070 -2.343 1.463 1.00 0.23 N ATOM 291 CA ILE A 18 66.299 -1.859 0.274 1.00 0.20 C ATOM 292 C ILE A 18 66.351 -0.335 0.207 1.00 0.20 C ATOM 293 O ILE A 18 66.004 0.343 1.157 1.00 0.22 O ATOM 294 CB ILE A 18 64.851 -2.322 0.487 1.00 0.23 C ATOM 295 CG1 ILE A 18 64.792 -3.845 0.718 1.00 0.25 C ATOM 296 CG2 ILE A 18 64.019 -1.957 -0.748 1.00 0.22 C ATOM 297 CD1 ILE A 18 65.414 -4.595 -0.466 1.00 0.24 C ATOM 0 H ILE A 18 66.706 -2.041 2.367 1.00 0.23 H new ATOM 0 HA ILE A 18 66.712 -2.250 -0.656 1.00 0.20 H new ATOM 0 HB ILE A 18 64.449 -1.824 1.369 1.00 0.23 H new ATOM 0 HG12 ILE A 18 65.322 -4.100 1.636 1.00 0.25 H new ATOM 0 HG13 ILE A 18 63.756 -4.158 0.850 1.00 0.25 H new ATOM 0 HG21 ILE A 18 62.989 -2.284 -0.602 1.00 0.22 H new ATOM 0 HG22 ILE A 18 64.040 -0.877 -0.895 1.00 0.22 H new ATOM 0 HG23 ILE A 18 64.435 -2.451 -1.626 1.00 0.22 H new ATOM 0 HD11 ILE A 18 65.363 -5.668 -0.284 1.00 0.24 H new ATOM 0 HD12 ILE A 18 64.866 -4.355 -1.377 1.00 0.24 H new ATOM 0 HD13 ILE A 18 66.456 -4.296 -0.580 1.00 0.24 H new ATOM 309 N ILE A 19 66.696 0.204 -0.937 1.00 0.17 N ATOM 310 CA ILE A 19 66.671 1.690 -1.100 1.00 0.17 C ATOM 311 C ILE A 19 65.228 2.149 -1.354 1.00 0.19 C ATOM 312 O ILE A 19 64.498 1.481 -2.055 1.00 0.17 O ATOM 313 CB ILE A 19 67.564 1.992 -2.315 1.00 0.16 C ATOM 314 CG1 ILE A 19 68.981 1.440 -2.035 1.00 0.20 C ATOM 315 CG2 ILE A 19 67.608 3.517 -2.527 1.00 0.15 C ATOM 316 CD1 ILE A 19 69.973 1.864 -3.125 1.00 0.23 C ATOM 0 H ILE A 19 66.992 -0.319 -1.761 1.00 0.17 H new ATOM 0 HA ILE A 19 67.030 2.212 -0.213 1.00 0.17 H new ATOM 0 HB ILE A 19 67.171 1.520 -3.215 1.00 0.16 H new ATOM 0 HG12 ILE A 19 69.328 1.799 -1.066 1.00 0.20 H new ATOM 0 HG13 ILE A 19 68.944 0.352 -1.978 1.00 0.20 H new ATOM 0 HG21 ILE A 19 68.238 3.747 -3.386 1.00 0.15 H new ATOM 0 HG22 ILE A 19 66.599 3.889 -2.707 1.00 0.15 H new ATOM 0 HG23 ILE A 19 68.018 3.996 -1.638 1.00 0.15 H new ATOM 0 HD11 ILE A 19 70.959 1.459 -2.897 1.00 0.23 H new ATOM 0 HD12 ILE A 19 69.638 1.483 -4.090 1.00 0.23 H new ATOM 0 HD13 ILE A 19 70.028 2.952 -3.164 1.00 0.23 H new ATOM 328 N PRO A 20 64.876 3.320 -0.861 1.00 0.24 N ATOM 329 CA PRO A 20 63.529 3.880 -1.163 1.00 0.28 C ATOM 330 C PRO A 20 63.398 4.131 -2.658 1.00 0.26 C ATOM 331 O PRO A 20 64.349 4.514 -3.314 1.00 0.25 O ATOM 332 CB PRO A 20 63.510 5.192 -0.390 1.00 0.34 C ATOM 333 CG PRO A 20 64.954 5.543 -0.265 1.00 0.35 C ATOM 334 CD PRO A 20 65.648 4.239 -0.004 1.00 0.29 C ATOM 0 HA PRO A 20 62.709 3.218 -0.886 1.00 0.28 H new ATOM 0 HB2 PRO A 20 62.954 5.964 -0.922 1.00 0.34 H new ATOM 0 HB3 PRO A 20 63.039 5.076 0.586 1.00 0.34 H new ATOM 0 HG2 PRO A 20 65.326 6.013 -1.175 1.00 0.35 H new ATOM 0 HG3 PRO A 20 65.120 6.249 0.549 1.00 0.35 H new ATOM 0 HD2 PRO A 20 66.701 4.272 -0.282 1.00 0.29 H new ATOM 0 HD3 PRO A 20 65.604 3.954 1.047 1.00 0.29 H new ATOM 342 N ALA A 21 62.232 3.902 -3.200 1.00 0.28 N ATOM 343 CA ALA A 21 62.029 4.095 -4.671 1.00 0.29 C ATOM 344 C ALA A 21 62.369 5.536 -5.075 1.00 0.31 C ATOM 345 O ALA A 21 62.727 5.800 -6.207 1.00 0.32 O ATOM 346 CB ALA A 21 60.545 3.809 -4.919 1.00 0.33 C ATOM 0 H ALA A 21 61.407 3.589 -2.688 1.00 0.28 H new ATOM 0 HA ALA A 21 62.673 3.439 -5.257 1.00 0.29 H new ATOM 0 HB1 ALA A 21 60.323 3.931 -5.979 1.00 0.33 H new ATOM 0 HB2 ALA A 21 60.316 2.787 -4.616 1.00 0.33 H new ATOM 0 HB3 ALA A 21 59.939 4.504 -4.339 1.00 0.33 H new ATOM 352 N GLY A 22 62.248 6.466 -4.155 1.00 0.34 N ATOM 353 CA GLY A 22 62.546 7.895 -4.487 1.00 0.38 C ATOM 354 C GLY A 22 64.028 8.055 -4.830 1.00 0.37 C ATOM 355 O GLY A 22 64.378 8.724 -5.785 1.00 0.39 O ATOM 0 H GLY A 22 61.957 6.297 -3.192 1.00 0.34 H new ATOM 0 HA2 GLY A 22 61.933 8.217 -5.329 1.00 0.38 H new ATOM 0 HA3 GLY A 22 62.289 8.534 -3.642 1.00 0.38 H new ATOM 359 N THR A 23 64.898 7.445 -4.062 1.00 0.34 N ATOM 360 CA THR A 23 66.364 7.566 -4.343 1.00 0.34 C ATOM 361 C THR A 23 66.719 6.809 -5.625 1.00 0.30 C ATOM 362 O THR A 23 67.489 7.287 -6.435 1.00 0.32 O ATOM 363 CB THR A 23 67.072 6.944 -3.138 1.00 0.34 C ATOM 364 OG1 THR A 23 66.649 7.604 -1.953 1.00 0.39 O ATOM 365 CG2 THR A 23 68.586 7.100 -3.297 1.00 0.37 C ATOM 0 H THR A 23 64.658 6.870 -3.255 1.00 0.34 H new ATOM 0 HA THR A 23 66.664 8.604 -4.489 1.00 0.34 H new ATOM 0 HB THR A 23 66.823 5.885 -3.075 1.00 0.34 H new ATOM 0 HG1 THR A 23 67.243 8.362 -1.771 1.00 0.39 H new ATOM 0 HG21 THR A 23 69.090 6.657 -2.438 1.00 0.37 H new ATOM 0 HG22 THR A 23 68.910 6.596 -4.208 1.00 0.37 H new ATOM 0 HG23 THR A 23 68.838 8.159 -3.359 1.00 0.37 H new ATOM 373 N ARG A 24 66.115 5.661 -5.849 1.00 0.26 N ATOM 374 CA ARG A 24 66.372 4.905 -7.134 1.00 0.25 C ATOM 375 C ARG A 24 66.054 5.806 -8.332 1.00 0.28 C ATOM 376 O ARG A 24 66.748 5.808 -9.328 1.00 0.29 O ATOM 377 CB ARG A 24 65.418 3.694 -7.176 1.00 0.25 C ATOM 378 CG ARG A 24 65.357 2.952 -5.837 1.00 0.23 C ATOM 379 CD ARG A 24 64.972 1.495 -6.085 1.00 0.24 C ATOM 380 NE ARG A 24 64.224 1.078 -4.859 1.00 0.27 N ATOM 381 CZ ARG A 24 63.346 0.089 -4.879 1.00 0.34 C ATOM 382 NH1 ARG A 24 63.086 -0.593 -5.974 1.00 0.40 N ATOM 383 NH2 ARG A 24 62.722 -0.218 -3.777 1.00 0.39 N ATOM 0 H ARG A 24 65.460 5.214 -5.207 1.00 0.26 H new ATOM 0 HA ARG A 24 67.414 4.589 -7.176 1.00 0.25 H new ATOM 0 HB2 ARG A 24 64.418 4.032 -7.447 1.00 0.25 H new ATOM 0 HB3 ARG A 24 65.744 3.005 -7.956 1.00 0.25 H new ATOM 0 HG2 ARG A 24 66.323 3.005 -5.335 1.00 0.23 H new ATOM 0 HG3 ARG A 24 64.629 3.426 -5.178 1.00 0.23 H new ATOM 0 HD2 ARG A 24 64.354 1.397 -6.977 1.00 0.24 H new ATOM 0 HD3 ARG A 24 65.855 0.874 -6.239 1.00 0.24 H new ATOM 0 HE ARG A 24 64.396 1.570 -3.982 1.00 0.27 H new ATOM 0 HH11 ARG A 24 63.568 -0.365 -6.843 1.00 0.40 H new ATOM 0 HH12 ARG A 24 62.403 -1.350 -5.953 1.00 0.40 H new ATOM 0 HH21 ARG A 24 62.914 0.301 -2.920 1.00 0.39 H new ATOM 0 HH22 ARG A 24 62.041 -0.977 -3.771 1.00 0.39 H new ATOM 397 N LYS A 25 64.956 6.514 -8.247 1.00 0.32 N ATOM 398 CA LYS A 25 64.505 7.368 -9.389 1.00 0.37 C ATOM 399 C LYS A 25 65.481 8.526 -9.604 1.00 0.38 C ATOM 400 O LYS A 25 65.961 8.750 -10.699 1.00 0.40 O ATOM 401 CB LYS A 25 63.125 7.895 -8.965 1.00 0.42 C ATOM 402 CG LYS A 25 62.533 8.766 -10.071 1.00 1.08 C ATOM 403 CD LYS A 25 61.160 9.282 -9.635 1.00 1.68 C ATOM 404 CE LYS A 25 60.503 10.029 -10.798 1.00 2.42 C ATOM 405 NZ LYS A 25 59.435 10.855 -10.168 1.00 2.97 N ATOM 0 H LYS A 25 64.348 6.537 -7.429 1.00 0.32 H new ATOM 0 HA LYS A 25 64.461 6.816 -10.328 1.00 0.37 H new ATOM 0 HB2 LYS A 25 62.458 7.060 -8.753 1.00 0.42 H new ATOM 0 HB3 LYS A 25 63.215 8.473 -8.045 1.00 0.42 H new ATOM 0 HG2 LYS A 25 63.197 9.604 -10.284 1.00 1.08 H new ATOM 0 HG3 LYS A 25 62.441 8.190 -10.992 1.00 1.08 H new ATOM 0 HD2 LYS A 25 60.530 8.450 -9.321 1.00 1.68 H new ATOM 0 HD3 LYS A 25 61.265 9.945 -8.776 1.00 1.68 H new ATOM 0 HE2 LYS A 25 61.225 10.652 -11.326 1.00 2.42 H new ATOM 0 HE3 LYS A 25 60.087 9.335 -11.529 1.00 2.42 H new ATOM 0 HZ1 LYS A 25 58.938 11.398 -10.902 1.00 2.97 H new ATOM 0 HZ2 LYS A 25 58.759 10.234 -9.679 1.00 2.97 H new ATOM 0 HZ3 LYS A 25 59.862 11.510 -9.482 1.00 2.97 H new ATOM 419 N PHE A 26 65.801 9.236 -8.554 1.00 0.38 N ATOM 420 CA PHE A 26 66.768 10.380 -8.668 1.00 0.42 C ATOM 421 C PHE A 26 68.109 9.900 -9.231 1.00 0.42 C ATOM 422 O PHE A 26 68.807 10.635 -9.906 1.00 0.46 O ATOM 423 CB PHE A 26 66.938 10.900 -7.233 1.00 0.43 C ATOM 424 CG PHE A 26 67.857 12.100 -7.225 1.00 0.51 C ATOM 425 CD1 PHE A 26 67.369 13.384 -7.641 1.00 0.55 C ATOM 426 CD2 PHE A 26 69.221 11.952 -6.803 1.00 0.56 C ATOM 427 CE1 PHE A 26 68.245 14.520 -7.633 1.00 0.63 C ATOM 428 CE2 PHE A 26 70.096 13.089 -6.795 1.00 0.64 C ATOM 429 CZ PHE A 26 69.609 14.373 -7.209 1.00 0.67 C ATOM 0 H PHE A 26 65.435 9.076 -7.616 1.00 0.38 H new ATOM 0 HA PHE A 26 66.407 11.155 -9.344 1.00 0.42 H new ATOM 0 HB2 PHE A 26 65.967 11.172 -6.818 1.00 0.43 H new ATOM 0 HB3 PHE A 26 67.347 10.114 -6.598 1.00 0.43 H new ATOM 0 HD1 PHE A 26 66.343 13.495 -7.960 1.00 0.55 H new ATOM 0 HD2 PHE A 26 69.588 10.985 -6.492 1.00 0.56 H new ATOM 0 HE1 PHE A 26 67.878 15.486 -7.946 1.00 0.63 H new ATOM 0 HE2 PHE A 26 71.122 12.978 -6.477 1.00 0.64 H new ATOM 0 HZ PHE A 26 70.268 15.229 -7.202 1.00 0.67 H new ATOM 439 N TYR A 27 68.516 8.715 -8.862 1.00 0.39 N ATOM 440 CA TYR A 27 69.869 8.215 -9.259 1.00 0.42 C ATOM 441 C TYR A 27 69.826 7.503 -10.625 1.00 0.35 C ATOM 442 O TYR A 27 70.854 7.300 -11.246 1.00 0.37 O ATOM 443 CB TYR A 27 70.238 7.233 -8.144 1.00 0.46 C ATOM 444 CG TYR A 27 71.690 6.827 -8.241 1.00 0.67 C ATOM 445 CD1 TYR A 27 72.132 5.918 -9.263 1.00 0.95 C ATOM 446 CD2 TYR A 27 72.621 7.328 -7.280 1.00 0.85 C ATOM 447 CE1 TYR A 27 73.509 5.515 -9.316 1.00 1.16 C ATOM 448 CE2 TYR A 27 73.995 6.930 -7.336 1.00 1.10 C ATOM 449 CZ TYR A 27 74.440 6.023 -8.351 1.00 1.18 C ATOM 450 OH TYR A 27 75.761 5.634 -8.392 1.00 1.44 O ATOM 0 H TYR A 27 67.967 8.066 -8.299 1.00 0.39 H new ATOM 0 HA TYR A 27 70.594 9.021 -9.371 1.00 0.42 H new ATOM 0 HB2 TYR A 27 70.049 7.691 -7.173 1.00 0.46 H new ATOM 0 HB3 TYR A 27 69.604 6.349 -8.208 1.00 0.46 H new ATOM 0 HD1 TYR A 27 71.429 5.539 -9.990 1.00 0.95 H new ATOM 0 HD2 TYR A 27 72.288 8.008 -6.510 1.00 0.85 H new ATOM 0 HE1 TYR A 27 73.843 4.830 -10.082 1.00 1.16 H new ATOM 0 HE2 TYR A 27 74.697 7.315 -6.611 1.00 1.10 H new ATOM 0 HH TYR A 27 75.818 4.660 -8.301 1.00 1.44 H new ATOM 460 N GLY A 28 68.651 7.168 -11.123 1.00 0.31 N ATOM 461 CA GLY A 28 68.560 6.518 -12.466 1.00 0.29 C ATOM 462 C GLY A 28 69.006 5.054 -12.362 1.00 0.26 C ATOM 463 O GLY A 28 69.761 4.573 -13.187 1.00 0.27 O ATOM 0 H GLY A 28 67.758 7.319 -10.654 1.00 0.31 H new ATOM 0 HA2 GLY A 28 67.537 6.571 -12.838 1.00 0.29 H new ATOM 0 HA3 GLY A 28 69.187 7.050 -13.181 1.00 0.29 H new ATOM 467 N ILE A 29 68.600 4.366 -11.320 1.00 0.24 N ATOM 468 CA ILE A 29 69.058 2.952 -11.119 1.00 0.23 C ATOM 469 C ILE A 29 68.085 1.972 -11.777 1.00 0.20 C ATOM 470 O ILE A 29 66.899 1.982 -11.506 1.00 0.22 O ATOM 471 CB ILE A 29 69.091 2.739 -9.597 1.00 0.29 C ATOM 472 CG1 ILE A 29 70.059 3.739 -8.968 1.00 0.35 C ATOM 473 CG2 ILE A 29 69.565 1.316 -9.278 1.00 0.34 C ATOM 474 CD1 ILE A 29 70.004 3.644 -7.439 1.00 0.42 C ATOM 0 H ILE A 29 67.971 4.722 -10.600 1.00 0.24 H new ATOM 0 HA ILE A 29 70.034 2.778 -11.571 1.00 0.23 H new ATOM 0 HB ILE A 29 68.089 2.885 -9.194 1.00 0.29 H new ATOM 0 HG12 ILE A 29 71.073 3.541 -9.315 1.00 0.35 H new ATOM 0 HG13 ILE A 29 69.805 4.750 -9.286 1.00 0.35 H new ATOM 0 HG21 ILE A 29 69.586 1.173 -8.198 1.00 0.34 H new ATOM 0 HG22 ILE A 29 68.881 0.596 -9.726 1.00 0.34 H new ATOM 0 HG23 ILE A 29 70.566 1.167 -9.683 1.00 0.34 H new ATOM 0 HD11 ILE A 29 70.699 4.362 -7.005 1.00 0.42 H new ATOM 0 HD12 ILE A 29 68.993 3.865 -7.097 1.00 0.42 H new ATOM 0 HD13 ILE A 29 70.281 2.637 -7.127 1.00 0.42 H new ATOM 486 N GLU A 30 68.617 1.032 -12.515 1.00 0.17 N ATOM 487 CA GLU A 30 67.778 -0.075 -13.060 1.00 0.18 C ATOM 488 C GLU A 30 68.437 -1.412 -12.724 1.00 0.17 C ATOM 489 O GLU A 30 69.621 -1.468 -12.441 1.00 0.18 O ATOM 490 CB GLU A 30 67.744 0.149 -14.574 1.00 0.22 C ATOM 491 CG GLU A 30 67.104 1.510 -14.879 1.00 1.06 C ATOM 492 CD GLU A 30 66.996 1.724 -16.397 1.00 1.14 C ATOM 493 OE1 GLU A 30 67.695 1.044 -17.136 1.00 1.82 O ATOM 494 OE2 GLU A 30 66.212 2.568 -16.796 1.00 1.37 O ATOM 0 H GLU A 30 69.605 0.984 -12.765 1.00 0.17 H new ATOM 0 HA GLU A 30 66.772 -0.089 -12.642 1.00 0.18 H new ATOM 0 HB2 GLU A 30 68.755 0.112 -14.980 1.00 0.22 H new ATOM 0 HB3 GLU A 30 67.177 -0.647 -15.057 1.00 0.22 H new ATOM 0 HG2 GLU A 30 66.114 1.563 -14.427 1.00 1.06 H new ATOM 0 HG3 GLU A 30 67.700 2.307 -14.435 1.00 1.06 H new ATOM 501 N GLN A 31 67.686 -2.488 -12.738 1.00 0.20 N ATOM 502 CA GLN A 31 68.279 -3.825 -12.396 1.00 0.20 C ATOM 503 C GLN A 31 69.444 -4.148 -13.337 1.00 0.19 C ATOM 504 O GLN A 31 69.386 -3.887 -14.524 1.00 0.20 O ATOM 505 CB GLN A 31 67.151 -4.838 -12.586 1.00 0.25 C ATOM 506 CG GLN A 31 67.598 -6.204 -12.062 1.00 1.08 C ATOM 507 CD GLN A 31 66.511 -7.241 -12.350 1.00 1.10 C ATOM 508 OE1 GLN A 31 66.182 -7.493 -13.493 1.00 0.70 O ATOM 509 NE2 GLN A 31 65.936 -7.859 -11.355 1.00 1.99 N ATOM 0 H GLN A 31 66.693 -2.501 -12.970 1.00 0.20 H new ATOM 0 HA GLN A 31 68.671 -3.842 -11.379 1.00 0.20 H new ATOM 0 HB2 GLN A 31 66.258 -4.508 -12.055 1.00 0.25 H new ATOM 0 HB3 GLN A 31 66.887 -4.910 -13.641 1.00 0.25 H new ATOM 0 HG2 GLN A 31 68.533 -6.500 -12.538 1.00 1.08 H new ATOM 0 HG3 GLN A 31 67.789 -6.150 -10.990 1.00 1.08 H new ATOM 0 HE21 GLN A 31 66.212 -7.648 -10.396 1.00 1.99 H new ATOM 0 HE22 GLN A 31 65.211 -8.553 -11.536 1.00 1.99 H new ATOM 518 N GLY A 32 70.489 -4.722 -12.805 1.00 0.18 N ATOM 519 CA GLY A 32 71.669 -5.084 -13.645 1.00 0.19 C ATOM 520 C GLY A 32 72.722 -3.964 -13.621 1.00 0.17 C ATOM 521 O GLY A 32 73.867 -4.194 -13.968 1.00 0.18 O ATOM 0 H GLY A 32 70.577 -4.958 -11.817 1.00 0.18 H new ATOM 0 HA2 GLY A 32 72.110 -6.011 -13.280 1.00 0.19 H new ATOM 0 HA3 GLY A 32 71.349 -5.266 -14.671 1.00 0.19 H new ATOM 525 N ASP A 33 72.367 -2.769 -13.188 1.00 0.15 N ATOM 526 CA ASP A 33 73.380 -1.666 -13.115 1.00 0.14 C ATOM 527 C ASP A 33 74.281 -1.856 -11.895 1.00 0.13 C ATOM 528 O ASP A 33 73.879 -2.455 -10.916 1.00 0.14 O ATOM 529 CB ASP A 33 72.572 -0.374 -12.982 1.00 0.13 C ATOM 530 CG ASP A 33 71.796 -0.098 -14.275 1.00 0.17 C ATOM 531 OD1 ASP A 33 72.208 -0.582 -15.319 1.00 1.12 O ATOM 532 OD2 ASP A 33 70.805 0.604 -14.196 1.00 1.07 O ATOM 0 H ASP A 33 71.427 -2.515 -12.885 1.00 0.15 H new ATOM 0 HA ASP A 33 74.025 -1.650 -13.993 1.00 0.14 H new ATOM 0 HB2 ASP A 33 71.880 -0.454 -12.144 1.00 0.13 H new ATOM 0 HB3 ASP A 33 73.239 0.460 -12.765 1.00 0.13 H new ATOM 537 N PHE A 34 75.453 -1.265 -11.908 1.00 0.12 N ATOM 538 CA PHE A 34 76.332 -1.313 -10.704 1.00 0.11 C ATOM 539 C PHE A 34 76.442 0.081 -10.095 1.00 0.10 C ATOM 540 O PHE A 34 76.642 1.050 -10.801 1.00 0.11 O ATOM 541 CB PHE A 34 77.693 -1.779 -11.220 1.00 0.12 C ATOM 542 CG PHE A 34 77.609 -3.231 -11.625 1.00 0.15 C ATOM 543 CD1 PHE A 34 77.238 -3.582 -12.966 1.00 0.17 C ATOM 544 CD2 PHE A 34 77.904 -4.258 -10.668 1.00 0.16 C ATOM 545 CE1 PHE A 34 77.161 -4.963 -13.349 1.00 0.20 C ATOM 546 CE2 PHE A 34 77.827 -5.639 -11.053 1.00 0.20 C ATOM 547 CZ PHE A 34 77.454 -5.991 -12.393 1.00 0.21 C ATOM 0 H PHE A 34 75.836 -0.752 -12.702 1.00 0.12 H new ATOM 0 HA PHE A 34 75.945 -1.977 -9.931 1.00 0.11 H new ATOM 0 HB2 PHE A 34 77.999 -1.170 -12.071 1.00 0.12 H new ATOM 0 HB3 PHE A 34 78.450 -1.649 -10.447 1.00 0.12 H new ATOM 0 HD1 PHE A 34 77.017 -2.808 -13.686 1.00 0.17 H new ATOM 0 HD2 PHE A 34 78.184 -3.993 -9.659 1.00 0.16 H new ATOM 0 HE1 PHE A 34 76.882 -5.228 -14.358 1.00 0.20 H new ATOM 0 HE2 PHE A 34 78.050 -6.413 -10.334 1.00 0.20 H new ATOM 0 HZ PHE A 34 77.394 -7.030 -12.682 1.00 0.21 H new ATOM 557 N VAL A 35 76.418 0.173 -8.792 1.00 0.09 N ATOM 558 CA VAL A 35 76.644 1.490 -8.128 1.00 0.09 C ATOM 559 C VAL A 35 77.704 1.329 -7.037 1.00 0.10 C ATOM 560 O VAL A 35 77.914 0.244 -6.529 1.00 0.10 O ATOM 561 CB VAL A 35 75.280 1.899 -7.551 1.00 0.11 C ATOM 562 CG1 VAL A 35 74.260 2.025 -8.690 1.00 0.12 C ATOM 563 CG2 VAL A 35 74.788 0.845 -6.556 1.00 0.15 C ATOM 0 H VAL A 35 76.251 -0.608 -8.158 1.00 0.09 H new ATOM 0 HA VAL A 35 77.011 2.256 -8.811 1.00 0.09 H new ATOM 0 HB VAL A 35 75.388 2.855 -7.038 1.00 0.11 H new ATOM 0 HG11 VAL A 35 73.292 2.315 -8.281 1.00 0.12 H new ATOM 0 HG12 VAL A 35 74.597 2.782 -9.398 1.00 0.12 H new ATOM 0 HG13 VAL A 35 74.165 1.067 -9.201 1.00 0.12 H new ATOM 0 HG21 VAL A 35 73.821 1.147 -6.155 1.00 0.15 H new ATOM 0 HG22 VAL A 35 74.687 -0.115 -7.063 1.00 0.15 H new ATOM 0 HG23 VAL A 35 75.506 0.751 -5.741 1.00 0.15 H new ATOM 573 N GLU A 36 78.392 2.391 -6.694 1.00 0.12 N ATOM 574 CA GLU A 36 79.463 2.298 -5.658 1.00 0.13 C ATOM 575 C GLU A 36 79.059 3.156 -4.476 1.00 0.13 C ATOM 576 O GLU A 36 78.601 4.266 -4.664 1.00 0.13 O ATOM 577 CB GLU A 36 80.722 2.848 -6.328 1.00 0.14 C ATOM 578 CG GLU A 36 81.923 2.666 -5.389 1.00 0.15 C ATOM 579 CD GLU A 36 83.191 3.299 -5.994 1.00 0.17 C ATOM 580 OE1 GLU A 36 83.097 3.918 -7.046 1.00 1.03 O ATOM 581 OE2 GLU A 36 84.239 3.152 -5.389 1.00 1.09 O ATOM 0 H GLU A 36 78.256 3.321 -7.090 1.00 0.12 H new ATOM 0 HA GLU A 36 79.628 1.283 -5.296 1.00 0.13 H new ATOM 0 HB2 GLU A 36 80.902 2.330 -7.270 1.00 0.14 H new ATOM 0 HB3 GLU A 36 80.589 3.904 -6.565 1.00 0.14 H new ATOM 0 HG2 GLU A 36 81.708 3.123 -4.423 1.00 0.15 H new ATOM 0 HG3 GLU A 36 82.092 1.604 -5.208 1.00 0.15 H new ATOM 588 N ILE A 37 78.986 2.567 -3.311 1.00 0.12 N ATOM 589 CA ILE A 37 78.322 3.263 -2.178 1.00 0.11 C ATOM 590 C ILE A 37 79.077 3.030 -0.864 1.00 0.11 C ATOM 591 O ILE A 37 79.771 2.042 -0.707 1.00 0.12 O ATOM 592 CB ILE A 37 76.918 2.648 -2.143 1.00 0.12 C ATOM 593 CG1 ILE A 37 76.080 3.326 -1.059 1.00 0.13 C ATOM 594 CG2 ILE A 37 77.002 1.142 -1.860 1.00 0.13 C ATOM 595 CD1 ILE A 37 74.598 3.309 -1.461 1.00 0.14 C ATOM 0 H ILE A 37 79.356 1.640 -3.099 1.00 0.12 H new ATOM 0 HA ILE A 37 78.297 4.346 -2.303 1.00 0.11 H new ATOM 0 HB ILE A 37 76.447 2.800 -3.114 1.00 0.12 H new ATOM 0 HG12 ILE A 37 76.214 2.811 -0.108 1.00 0.13 H new ATOM 0 HG13 ILE A 37 76.416 4.353 -0.916 1.00 0.13 H new ATOM 0 HG21 ILE A 37 75.998 0.719 -1.838 1.00 0.13 H new ATOM 0 HG22 ILE A 37 77.583 0.656 -2.644 1.00 0.13 H new ATOM 0 HG23 ILE A 37 77.485 0.979 -0.897 1.00 0.13 H new ATOM 0 HD11 ILE A 37 74.005 3.793 -0.685 1.00 0.14 H new ATOM 0 HD12 ILE A 37 74.470 3.844 -2.402 1.00 0.14 H new ATOM 0 HD13 ILE A 37 74.265 2.278 -1.581 1.00 0.14 H new ATOM 607 N LYS A 38 78.887 3.900 0.094 1.00 0.12 N ATOM 608 CA LYS A 38 79.522 3.709 1.432 1.00 0.13 C ATOM 609 C LYS A 38 78.496 3.921 2.548 1.00 0.13 C ATOM 610 O LYS A 38 77.622 4.758 2.443 1.00 0.14 O ATOM 611 CB LYS A 38 80.617 4.768 1.511 1.00 0.13 C ATOM 612 CG LYS A 38 81.512 4.463 2.710 1.00 0.18 C ATOM 613 CD LYS A 38 82.649 5.487 2.774 1.00 0.25 C ATOM 614 CE LYS A 38 83.620 5.110 3.898 1.00 1.03 C ATOM 615 NZ LYS A 38 83.966 6.401 4.556 1.00 1.11 N ATOM 0 H LYS A 38 78.315 4.740 0.006 1.00 0.12 H new ATOM 0 HA LYS A 38 79.918 2.701 1.553 1.00 0.13 H new ATOM 0 HB2 LYS A 38 81.205 4.772 0.593 1.00 0.13 H new ATOM 0 HB3 LYS A 38 80.176 5.760 1.612 1.00 0.13 H new ATOM 0 HG2 LYS A 38 80.928 4.494 3.630 1.00 0.18 H new ATOM 0 HG3 LYS A 38 81.920 3.456 2.626 1.00 0.18 H new ATOM 0 HD2 LYS A 38 83.176 5.520 1.821 1.00 0.25 H new ATOM 0 HD3 LYS A 38 82.244 6.484 2.949 1.00 0.25 H new ATOM 0 HE2 LYS A 38 83.159 4.419 4.603 1.00 1.03 H new ATOM 0 HE3 LYS A 38 84.509 4.617 3.503 1.00 1.03 H new ATOM 0 HZ1 LYS A 38 84.319 6.217 5.517 1.00 1.11 H new ATOM 0 HZ2 LYS A 38 84.701 6.886 4.003 1.00 1.11 H new ATOM 0 HZ3 LYS A 38 83.119 7.002 4.608 1.00 1.11 H new ATOM 629 N ILE A 39 78.617 3.184 3.625 1.00 0.14 N ATOM 630 CA ILE A 39 77.666 3.351 4.773 1.00 0.14 C ATOM 631 C ILE A 39 78.402 3.866 6.011 1.00 0.13 C ATOM 632 O ILE A 39 79.557 3.552 6.228 1.00 0.13 O ATOM 633 CB ILE A 39 77.089 1.958 5.055 1.00 0.16 C ATOM 634 CG1 ILE A 39 78.226 0.958 5.313 1.00 0.16 C ATOM 635 CG2 ILE A 39 76.251 1.496 3.865 1.00 0.17 C ATOM 636 CD1 ILE A 39 77.665 -0.302 5.969 1.00 0.20 C ATOM 0 H ILE A 39 79.334 2.472 3.761 1.00 0.14 H new ATOM 0 HA ILE A 39 76.885 4.072 4.532 1.00 0.14 H new ATOM 0 HB ILE A 39 76.456 2.009 5.941 1.00 0.16 H new ATOM 0 HG12 ILE A 39 78.718 0.703 4.375 1.00 0.16 H new ATOM 0 HG13 ILE A 39 78.981 1.409 5.957 1.00 0.16 H new ATOM 0 HG21 ILE A 39 75.843 0.506 4.070 1.00 0.17 H new ATOM 0 HG22 ILE A 39 75.434 2.198 3.701 1.00 0.17 H new ATOM 0 HG23 ILE A 39 76.877 1.453 2.974 1.00 0.17 H new ATOM 0 HD11 ILE A 39 78.475 -1.009 6.150 1.00 0.20 H new ATOM 0 HD12 ILE A 39 77.193 -0.040 6.916 1.00 0.20 H new ATOM 0 HD13 ILE A 39 76.926 -0.758 5.309 1.00 0.20 H new ATOM 648 N VAL A 40 77.709 4.590 6.855 1.00 0.13 N ATOM 649 CA VAL A 40 78.324 5.059 8.133 1.00 0.12 C ATOM 650 C VAL A 40 77.311 4.938 9.280 1.00 0.16 C ATOM 651 O VAL A 40 76.244 5.523 9.246 1.00 0.20 O ATOM 652 CB VAL A 40 78.695 6.527 7.888 1.00 0.14 C ATOM 653 CG1 VAL A 40 79.348 7.116 9.143 1.00 0.15 C ATOM 654 CG2 VAL A 40 79.685 6.619 6.720 1.00 0.16 C ATOM 0 H VAL A 40 76.741 4.877 6.712 1.00 0.13 H new ATOM 0 HA VAL A 40 79.195 4.467 8.414 1.00 0.12 H new ATOM 0 HB VAL A 40 77.790 7.086 7.651 1.00 0.14 H new ATOM 0 HG11 VAL A 40 79.609 8.159 8.962 1.00 0.15 H new ATOM 0 HG12 VAL A 40 78.650 7.056 9.978 1.00 0.15 H new ATOM 0 HG13 VAL A 40 80.250 6.553 9.382 1.00 0.15 H new ATOM 0 HG21 VAL A 40 79.948 7.663 6.547 1.00 0.16 H new ATOM 0 HG22 VAL A 40 80.585 6.053 6.961 1.00 0.16 H new ATOM 0 HG23 VAL A 40 79.227 6.207 5.821 1.00 0.16 H new ATOM 664 N LYS A 41 77.694 4.264 10.332 1.00 0.17 N ATOM 665 CA LYS A 41 76.834 4.181 11.551 1.00 0.22 C ATOM 666 C LYS A 41 77.690 4.470 12.785 1.00 0.21 C ATOM 667 O LYS A 41 78.868 4.176 12.809 1.00 0.22 O ATOM 668 CB LYS A 41 76.300 2.741 11.569 1.00 0.28 C ATOM 669 CG LYS A 41 75.503 2.477 12.857 1.00 0.54 C ATOM 670 CD LYS A 41 74.266 3.376 12.904 1.00 1.11 C ATOM 671 CE LYS A 41 73.576 3.219 14.262 1.00 1.50 C ATOM 672 NZ LYS A 41 72.118 3.262 13.964 1.00 1.98 N ATOM 0 H LYS A 41 78.578 3.760 10.400 1.00 0.17 H new ATOM 0 HA LYS A 41 76.016 4.901 11.548 1.00 0.22 H new ATOM 0 HB2 LYS A 41 75.664 2.572 10.700 1.00 0.28 H new ATOM 0 HB3 LYS A 41 77.130 2.038 11.498 1.00 0.28 H new ATOM 0 HG2 LYS A 41 75.203 1.430 12.900 1.00 0.54 H new ATOM 0 HG3 LYS A 41 76.132 2.664 13.728 1.00 0.54 H new ATOM 0 HD2 LYS A 41 74.552 4.416 12.747 1.00 1.11 H new ATOM 0 HD3 LYS A 41 73.578 3.110 12.101 1.00 1.11 H new ATOM 0 HE2 LYS A 41 73.853 2.279 14.739 1.00 1.50 H new ATOM 0 HE3 LYS A 41 73.863 4.019 14.945 1.00 1.50 H new ATOM 0 HZ1 LYS A 41 71.627 3.798 14.708 1.00 1.98 H new ATOM 0 HZ2 LYS A 41 71.965 3.725 13.045 1.00 1.98 H new ATOM 0 HZ3 LYS A 41 71.742 2.293 13.930 1.00 1.98 H new ATOM 686 N TYR A 42 77.103 5.048 13.799 1.00 0.20 N ATOM 687 CA TYR A 42 77.881 5.366 15.035 1.00 0.20 C ATOM 688 C TYR A 42 77.571 4.346 16.133 1.00 0.27 C ATOM 689 O TYR A 42 76.422 4.108 16.461 1.00 0.33 O ATOM 690 CB TYR A 42 77.421 6.766 15.448 1.00 0.22 C ATOM 691 CG TYR A 42 78.388 7.328 16.462 1.00 0.21 C ATOM 692 CD1 TYR A 42 79.687 7.768 16.040 1.00 0.23 C ATOM 693 CD2 TYR A 42 78.011 7.424 17.843 1.00 0.23 C ATOM 694 CE1 TYR A 42 80.610 8.304 16.999 1.00 0.28 C ATOM 695 CE2 TYR A 42 78.934 7.959 18.803 1.00 0.25 C ATOM 696 CZ TYR A 42 80.234 8.399 18.380 1.00 0.28 C ATOM 697 OH TYR A 42 81.121 8.915 19.303 1.00 0.33 O ATOM 0 H TYR A 42 76.119 5.314 13.826 1.00 0.20 H new ATOM 0 HA TYR A 42 78.957 5.329 14.866 1.00 0.20 H new ATOM 0 HB2 TYR A 42 77.371 7.417 14.575 1.00 0.22 H new ATOM 0 HB3 TYR A 42 76.417 6.722 15.871 1.00 0.22 H new ATOM 0 HD1 TYR A 42 79.970 7.696 15.000 1.00 0.23 H new ATOM 0 HD2 TYR A 42 77.033 7.094 18.160 1.00 0.23 H new ATOM 0 HE1 TYR A 42 81.587 8.636 16.681 1.00 0.28 H new ATOM 0 HE2 TYR A 42 78.651 8.031 19.843 1.00 0.25 H new ATOM 0 HH TYR A 42 80.708 8.909 20.192 1.00 0.33 H new ATOM 707 N GLU A 43 78.590 3.755 16.714 1.00 0.29 N ATOM 708 CA GLU A 43 78.366 2.761 17.806 1.00 0.37 C ATOM 709 C GLU A 43 79.328 3.028 18.965 1.00 0.35 C ATOM 710 O GLU A 43 80.503 3.273 18.765 1.00 0.30 O ATOM 711 CB GLU A 43 78.654 1.399 17.173 1.00 0.44 C ATOM 712 CG GLU A 43 77.670 1.150 16.022 1.00 0.63 C ATOM 713 CD GLU A 43 77.887 -0.250 15.425 1.00 0.80 C ATOM 714 OE1 GLU A 43 78.945 -0.824 15.642 1.00 1.48 O ATOM 715 OE2 GLU A 43 76.987 -0.723 14.749 1.00 1.34 O ATOM 0 H GLU A 43 79.568 3.921 16.476 1.00 0.29 H new ATOM 0 HA GLU A 43 77.355 2.814 18.211 1.00 0.37 H new ATOM 0 HB2 GLU A 43 79.679 1.368 16.802 1.00 0.44 H new ATOM 0 HB3 GLU A 43 78.562 0.612 17.921 1.00 0.44 H new ATOM 0 HG2 GLU A 43 76.646 1.243 16.384 1.00 0.63 H new ATOM 0 HG3 GLU A 43 77.805 1.907 15.249 1.00 0.63 H new ATOM 722 N GLY A 44 78.828 3.012 20.177 1.00 0.41 N ATOM 723 CA GLY A 44 79.695 3.293 21.363 1.00 0.41 C ATOM 724 C GLY A 44 80.300 4.695 21.243 1.00 0.37 C ATOM 725 O GLY A 44 79.601 5.662 20.998 1.00 0.37 O ATOM 0 H GLY A 44 77.851 2.815 20.396 1.00 0.41 H new ATOM 0 HA2 GLY A 44 79.109 3.217 22.279 1.00 0.41 H new ATOM 0 HA3 GLY A 44 80.489 2.549 21.429 1.00 0.41 H new ATOM 729 N GLU A 45 81.600 4.801 21.380 1.00 0.37 N ATOM 730 CA GLU A 45 82.272 6.131 21.237 1.00 0.37 C ATOM 731 C GLU A 45 83.020 6.251 19.893 1.00 0.34 C ATOM 732 O GLU A 45 83.806 7.165 19.710 1.00 0.36 O ATOM 733 CB GLU A 45 83.242 6.228 22.430 1.00 0.44 C ATOM 734 CG GLU A 45 84.365 5.186 22.315 1.00 0.45 C ATOM 735 CD GLU A 45 85.315 5.323 23.509 1.00 0.54 C ATOM 736 OE1 GLU A 45 84.843 5.663 24.582 1.00 1.17 O ATOM 737 OE2 GLU A 45 86.498 5.084 23.329 1.00 1.27 O ATOM 0 H GLU A 45 82.226 4.022 21.585 1.00 0.37 H new ATOM 0 HA GLU A 45 81.547 6.945 21.238 1.00 0.37 H new ATOM 0 HB2 GLU A 45 83.673 7.228 22.472 1.00 0.44 H new ATOM 0 HB3 GLU A 45 82.695 6.077 23.361 1.00 0.44 H new ATOM 0 HG2 GLU A 45 83.942 4.182 22.287 1.00 0.45 H new ATOM 0 HG3 GLU A 45 84.913 5.327 21.383 1.00 0.45 H new ATOM 744 N GLU A 46 82.826 5.323 18.978 1.00 0.31 N ATOM 745 CA GLU A 46 83.578 5.378 17.683 1.00 0.30 C ATOM 746 C GLU A 46 82.624 5.203 16.478 1.00 0.25 C ATOM 747 O GLU A 46 81.807 4.301 16.479 1.00 0.25 O ATOM 748 CB GLU A 46 84.584 4.220 17.755 1.00 0.38 C ATOM 749 CG GLU A 46 83.849 2.871 17.891 1.00 0.41 C ATOM 750 CD GLU A 46 84.413 2.082 19.077 1.00 0.63 C ATOM 751 OE1 GLU A 46 85.613 2.144 19.289 1.00 1.37 O ATOM 752 OE2 GLU A 46 83.635 1.428 19.751 1.00 1.19 O ATOM 0 H GLU A 46 82.183 4.537 19.074 1.00 0.31 H new ATOM 0 HA GLU A 46 84.071 6.340 17.542 1.00 0.30 H new ATOM 0 HB2 GLU A 46 85.204 4.214 16.859 1.00 0.38 H new ATOM 0 HB3 GLU A 46 85.252 4.364 18.604 1.00 0.38 H new ATOM 0 HG2 GLU A 46 82.782 3.042 18.032 1.00 0.41 H new ATOM 0 HG3 GLU A 46 83.960 2.293 16.974 1.00 0.41 H new ATOM 759 N PRO A 47 82.827 5.988 15.430 1.00 0.25 N ATOM 760 CA PRO A 47 82.054 5.777 14.182 1.00 0.21 C ATOM 761 C PRO A 47 82.582 4.547 13.430 1.00 0.27 C ATOM 762 O PRO A 47 83.775 4.393 13.240 1.00 0.34 O ATOM 763 CB PRO A 47 82.285 7.054 13.362 1.00 0.24 C ATOM 764 CG PRO A 47 83.156 7.948 14.195 1.00 0.33 C ATOM 765 CD PRO A 47 83.754 7.118 15.298 1.00 0.31 C ATOM 0 HA PRO A 47 80.996 5.597 14.372 1.00 0.21 H new ATOM 0 HB2 PRO A 47 82.765 6.822 12.411 1.00 0.24 H new ATOM 0 HB3 PRO A 47 81.338 7.542 13.130 1.00 0.24 H new ATOM 0 HG2 PRO A 47 83.942 8.392 13.584 1.00 0.33 H new ATOM 0 HG3 PRO A 47 82.572 8.770 14.610 1.00 0.33 H new ATOM 0 HD2 PRO A 47 84.760 6.782 15.045 1.00 0.31 H new ATOM 0 HD3 PRO A 47 83.830 7.683 16.227 1.00 0.31 H new ATOM 773 N LYS A 48 81.693 3.754 12.885 1.00 0.26 N ATOM 774 CA LYS A 48 82.115 2.623 12.003 1.00 0.35 C ATOM 775 C LYS A 48 81.641 2.885 10.572 1.00 0.28 C ATOM 776 O LYS A 48 80.534 3.344 10.361 1.00 0.24 O ATOM 777 CB LYS A 48 81.423 1.383 12.572 1.00 0.45 C ATOM 778 CG LYS A 48 81.863 1.155 14.019 1.00 0.60 C ATOM 779 CD LYS A 48 83.339 0.759 14.041 1.00 0.47 C ATOM 780 CE LYS A 48 83.731 0.319 15.453 1.00 0.48 C ATOM 781 NZ LYS A 48 83.626 -1.167 15.435 1.00 1.10 N ATOM 0 H LYS A 48 80.685 3.843 13.015 1.00 0.26 H new ATOM 0 HA LYS A 48 83.198 2.502 11.975 1.00 0.35 H new ATOM 0 HB2 LYS A 48 80.341 1.508 12.528 1.00 0.45 H new ATOM 0 HB3 LYS A 48 81.668 0.510 11.967 1.00 0.45 H new ATOM 0 HG2 LYS A 48 81.709 2.061 14.605 1.00 0.60 H new ATOM 0 HG3 LYS A 48 81.258 0.372 14.476 1.00 0.60 H new ATOM 0 HD2 LYS A 48 83.519 -0.050 13.334 1.00 0.47 H new ATOM 0 HD3 LYS A 48 83.956 1.600 13.727 1.00 0.47 H new ATOM 0 HE2 LYS A 48 84.743 0.641 15.700 1.00 0.48 H new ATOM 0 HE3 LYS A 48 83.067 0.753 16.201 1.00 0.48 H new ATOM 0 HZ1 LYS A 48 83.880 -1.544 16.370 1.00 1.10 H new ATOM 0 HZ2 LYS A 48 82.651 -1.443 15.203 1.00 1.10 H new ATOM 0 HZ3 LYS A 48 84.274 -1.552 14.719 1.00 1.10 H new ATOM 795 N GLU A 49 82.474 2.626 9.595 1.00 0.26 N ATOM 796 CA GLU A 49 82.080 2.891 8.176 1.00 0.20 C ATOM 797 C GLU A 49 82.530 1.744 7.264 1.00 0.19 C ATOM 798 O GLU A 49 83.331 0.911 7.647 1.00 0.21 O ATOM 799 CB GLU A 49 82.783 4.202 7.801 1.00 0.25 C ATOM 800 CG GLU A 49 84.304 4.046 7.944 1.00 0.80 C ATOM 801 CD GLU A 49 85.001 5.399 7.729 1.00 0.80 C ATOM 802 OE1 GLU A 49 84.408 6.270 7.109 1.00 0.96 O ATOM 803 OE2 GLU A 49 86.121 5.539 8.191 1.00 1.42 O ATOM 0 H GLU A 49 83.411 2.242 9.718 1.00 0.26 H new ATOM 0 HA GLU A 49 80.999 2.966 8.060 1.00 0.20 H new ATOM 0 HB2 GLU A 49 82.533 4.478 6.777 1.00 0.25 H new ATOM 0 HB3 GLU A 49 82.431 5.009 8.443 1.00 0.25 H new ATOM 0 HG2 GLU A 49 84.545 3.658 8.934 1.00 0.80 H new ATOM 0 HG3 GLU A 49 84.672 3.320 7.219 1.00 0.80 H new ATOM 810 N GLY A 50 82.018 1.706 6.059 1.00 0.16 N ATOM 811 CA GLY A 50 82.402 0.628 5.102 1.00 0.16 C ATOM 812 C GLY A 50 82.087 1.071 3.674 1.00 0.15 C ATOM 813 O GLY A 50 81.009 1.560 3.400 1.00 0.17 O ATOM 0 H GLY A 50 81.345 2.382 5.696 1.00 0.16 H new ATOM 0 HA2 GLY A 50 83.465 0.405 5.198 1.00 0.16 H new ATOM 0 HA3 GLY A 50 81.861 -0.289 5.336 1.00 0.16 H new ATOM 817 N THR A 51 82.992 0.839 2.753 1.00 0.14 N ATOM 818 CA THR A 51 82.718 1.176 1.322 1.00 0.14 C ATOM 819 C THR A 51 82.801 -0.089 0.468 1.00 0.13 C ATOM 820 O THR A 51 83.717 -0.879 0.615 1.00 0.15 O ATOM 821 CB THR A 51 83.823 2.153 0.910 1.00 0.16 C ATOM 822 OG1 THR A 51 84.012 3.122 1.930 1.00 0.18 O ATOM 823 CG2 THR A 51 83.429 2.855 -0.395 1.00 0.21 C ATOM 0 H THR A 51 83.909 0.430 2.932 1.00 0.14 H new ATOM 0 HA THR A 51 81.725 1.606 1.188 1.00 0.14 H new ATOM 0 HB THR A 51 84.751 1.601 0.760 1.00 0.16 H new ATOM 0 HG1 THR A 51 84.771 2.861 2.492 1.00 0.18 H new ATOM 0 HG21 THR A 51 84.217 3.550 -0.687 1.00 0.21 H new ATOM 0 HG22 THR A 51 83.291 2.112 -1.181 1.00 0.21 H new ATOM 0 HG23 THR A 51 82.498 3.403 -0.247 1.00 0.21 H new ATOM 831 N PHE A 52 81.890 -0.257 -0.461 1.00 0.12 N ATOM 832 CA PHE A 52 81.961 -1.441 -1.373 1.00 0.13 C ATOM 833 C PHE A 52 81.222 -1.163 -2.697 1.00 0.11 C ATOM 834 O PHE A 52 80.490 -0.196 -2.816 1.00 0.10 O ATOM 835 CB PHE A 52 81.326 -2.603 -0.572 1.00 0.14 C ATOM 836 CG PHE A 52 79.816 -2.463 -0.484 1.00 0.13 C ATOM 837 CD1 PHE A 52 79.224 -1.471 0.367 1.00 0.14 C ATOM 838 CD2 PHE A 52 78.980 -3.326 -1.270 1.00 0.13 C ATOM 839 CE1 PHE A 52 77.795 -1.343 0.432 1.00 0.16 C ATOM 840 CE2 PHE A 52 77.555 -3.196 -1.207 1.00 0.14 C ATOM 841 CZ PHE A 52 76.961 -2.208 -0.357 1.00 0.15 C ATOM 0 H PHE A 52 81.104 0.372 -0.626 1.00 0.12 H new ATOM 0 HA PHE A 52 82.983 -1.682 -1.666 1.00 0.13 H new ATOM 0 HB2 PHE A 52 81.577 -3.552 -1.046 1.00 0.14 H new ATOM 0 HB3 PHE A 52 81.749 -2.627 0.432 1.00 0.14 H new ATOM 0 HD1 PHE A 52 79.852 -0.821 0.958 1.00 0.14 H new ATOM 0 HD2 PHE A 52 79.426 -4.074 -1.909 1.00 0.13 H new ATOM 0 HE1 PHE A 52 77.348 -0.598 1.073 1.00 0.16 H new ATOM 0 HE2 PHE A 52 76.928 -3.844 -1.801 1.00 0.14 H new ATOM 0 HZ PHE A 52 75.886 -2.113 -0.309 1.00 0.15 H new ATOM 851 N THR A 53 81.315 -2.076 -3.632 1.00 0.12 N ATOM 852 CA THR A 53 80.519 -1.958 -4.890 1.00 0.11 C ATOM 853 C THR A 53 79.374 -2.972 -4.866 1.00 0.11 C ATOM 854 O THR A 53 79.517 -4.062 -4.342 1.00 0.12 O ATOM 855 CB THR A 53 81.501 -2.283 -6.017 1.00 0.11 C ATOM 856 OG1 THR A 53 82.615 -1.405 -5.941 1.00 0.13 O ATOM 857 CG2 THR A 53 80.805 -2.111 -7.369 1.00 0.11 C ATOM 0 H THR A 53 81.911 -2.902 -3.576 1.00 0.12 H new ATOM 0 HA THR A 53 80.077 -0.969 -5.016 1.00 0.11 H new ATOM 0 HB THR A 53 81.842 -3.313 -5.915 1.00 0.11 H new ATOM 0 HG1 THR A 53 83.246 -1.614 -6.662 1.00 0.13 H new ATOM 0 HG21 THR A 53 81.506 -2.343 -8.171 1.00 0.11 H new ATOM 0 HG22 THR A 53 79.951 -2.786 -7.427 1.00 0.11 H new ATOM 0 HG23 THR A 53 80.462 -1.082 -7.473 1.00 0.11 H new ATOM 865 N ALA A 54 78.217 -2.586 -5.348 1.00 0.11 N ATOM 866 CA ALA A 54 77.029 -3.487 -5.265 1.00 0.13 C ATOM 867 C ALA A 54 76.195 -3.398 -6.543 1.00 0.13 C ATOM 868 O ALA A 54 76.027 -2.335 -7.109 1.00 0.11 O ATOM 869 CB ALA A 54 76.228 -2.973 -4.065 1.00 0.14 C ATOM 0 H ALA A 54 78.046 -1.685 -5.795 1.00 0.11 H new ATOM 0 HA ALA A 54 77.315 -4.533 -5.152 1.00 0.13 H new ATOM 0 HB1 ALA A 54 75.335 -3.584 -3.935 1.00 0.14 H new ATOM 0 HB2 ALA A 54 76.842 -3.031 -3.166 1.00 0.14 H new ATOM 0 HB3 ALA A 54 75.937 -1.937 -4.239 1.00 0.14 H new ATOM 875 N ARG A 55 75.614 -4.498 -6.953 1.00 0.15 N ATOM 876 CA ARG A 55 74.715 -4.482 -8.144 1.00 0.15 C ATOM 877 C ARG A 55 73.267 -4.287 -7.695 1.00 0.15 C ATOM 878 O ARG A 55 72.857 -4.792 -6.665 1.00 0.16 O ATOM 879 CB ARG A 55 74.886 -5.850 -8.800 1.00 0.19 C ATOM 880 CG ARG A 55 74.263 -5.825 -10.197 1.00 0.27 C ATOM 881 CD ARG A 55 74.261 -7.241 -10.782 1.00 0.45 C ATOM 882 NE ARG A 55 73.916 -7.071 -12.229 1.00 0.90 N ATOM 883 CZ ARG A 55 73.456 -8.075 -12.956 1.00 1.48 C ATOM 884 NH1 ARG A 55 73.274 -9.276 -12.452 1.00 1.67 N ATOM 885 NH2 ARG A 55 73.175 -7.867 -14.214 1.00 2.21 N ATOM 0 H ARG A 55 75.725 -5.410 -6.510 1.00 0.15 H new ATOM 0 HA ARG A 55 74.957 -3.672 -8.832 1.00 0.15 H new ATOM 0 HB2 ARG A 55 75.944 -6.104 -8.866 1.00 0.19 H new ATOM 0 HB3 ARG A 55 74.411 -6.619 -8.192 1.00 0.19 H new ATOM 0 HG2 ARG A 55 73.245 -5.440 -10.146 1.00 0.27 H new ATOM 0 HG3 ARG A 55 74.825 -5.153 -10.845 1.00 0.27 H new ATOM 0 HD2 ARG A 55 75.234 -7.717 -10.663 1.00 0.45 H new ATOM 0 HD3 ARG A 55 73.533 -7.875 -10.276 1.00 0.45 H new ATOM 0 HE ARG A 55 74.039 -6.157 -12.665 1.00 0.90 H new ATOM 0 HH11 ARG A 55 73.489 -9.456 -11.471 1.00 1.67 H new ATOM 0 HH12 ARG A 55 72.917 -10.028 -13.042 1.00 1.67 H new ATOM 0 HH21 ARG A 55 73.311 -6.942 -14.621 1.00 2.21 H new ATOM 0 HH22 ARG A 55 72.819 -8.630 -14.790 1.00 2.21 H new ATOM 899 N VAL A 56 72.489 -3.586 -8.476 1.00 0.14 N ATOM 900 CA VAL A 56 71.052 -3.382 -8.126 1.00 0.14 C ATOM 901 C VAL A 56 70.245 -4.625 -8.499 1.00 0.15 C ATOM 902 O VAL A 56 70.249 -5.065 -9.634 1.00 0.17 O ATOM 903 CB VAL A 56 70.612 -2.163 -8.948 1.00 0.14 C ATOM 904 CG1 VAL A 56 69.111 -1.886 -8.742 1.00 0.14 C ATOM 905 CG2 VAL A 56 71.424 -0.945 -8.497 1.00 0.17 C ATOM 0 H VAL A 56 72.788 -3.144 -9.345 1.00 0.14 H new ATOM 0 HA VAL A 56 70.897 -3.218 -7.060 1.00 0.14 H new ATOM 0 HB VAL A 56 70.785 -2.361 -10.006 1.00 0.14 H new ATOM 0 HG11 VAL A 56 68.817 -1.018 -9.332 1.00 0.14 H new ATOM 0 HG12 VAL A 56 68.534 -2.754 -9.060 1.00 0.14 H new ATOM 0 HG13 VAL A 56 68.919 -1.689 -7.687 1.00 0.14 H new ATOM 0 HG21 VAL A 56 71.121 -0.071 -9.074 1.00 0.17 H new ATOM 0 HG22 VAL A 56 71.245 -0.760 -7.438 1.00 0.17 H new ATOM 0 HG23 VAL A 56 72.485 -1.135 -8.658 1.00 0.17 H new ATOM 915 N GLY A 57 69.530 -5.161 -7.549 1.00 0.16 N ATOM 916 CA GLY A 57 68.677 -6.353 -7.818 1.00 0.19 C ATOM 917 C GLY A 57 67.217 -5.919 -7.956 1.00 0.18 C ATOM 918 O GLY A 57 66.901 -4.740 -7.976 1.00 0.16 O ATOM 0 H GLY A 57 69.500 -4.821 -6.588 1.00 0.16 H new ATOM 0 HA2 GLY A 57 69.007 -6.850 -8.730 1.00 0.19 H new ATOM 0 HA3 GLY A 57 68.777 -7.075 -7.007 1.00 0.19 H new ATOM 922 N GLU A 58 66.320 -6.870 -8.020 1.00 0.21 N ATOM 923 CA GLU A 58 64.867 -6.532 -8.129 1.00 0.22 C ATOM 924 C GLU A 58 64.421 -5.749 -6.890 1.00 0.22 C ATOM 925 O GLU A 58 65.047 -5.803 -5.848 1.00 0.24 O ATOM 926 CB GLU A 58 64.139 -7.877 -8.211 1.00 0.27 C ATOM 927 CG GLU A 58 62.692 -7.650 -8.669 1.00 0.81 C ATOM 928 CD GLU A 58 61.893 -8.966 -8.632 1.00 0.80 C ATOM 929 OE1 GLU A 58 62.446 -9.983 -8.235 1.00 1.39 O ATOM 930 OE2 GLU A 58 60.732 -8.931 -9.006 1.00 1.28 O ATOM 0 H GLU A 58 66.531 -7.868 -8.001 1.00 0.21 H new ATOM 0 HA GLU A 58 64.652 -5.910 -8.998 1.00 0.22 H new ATOM 0 HB2 GLU A 58 64.653 -8.538 -8.909 1.00 0.27 H new ATOM 0 HB3 GLU A 58 64.151 -8.369 -7.238 1.00 0.27 H new ATOM 0 HG2 GLU A 58 62.214 -6.911 -8.026 1.00 0.81 H new ATOM 0 HG3 GLU A 58 62.686 -7.244 -9.680 1.00 0.81 H new ATOM 937 N GLN A 59 63.369 -4.979 -7.016 1.00 0.25 N ATOM 938 CA GLN A 59 62.879 -4.132 -5.876 1.00 0.30 C ATOM 939 C GLN A 59 63.981 -3.212 -5.324 1.00 0.23 C ATOM 940 O GLN A 59 63.813 -2.632 -4.266 1.00 0.23 O ATOM 941 CB GLN A 59 62.417 -5.113 -4.788 1.00 0.37 C ATOM 942 CG GLN A 59 61.249 -5.957 -5.307 1.00 0.46 C ATOM 943 CD GLN A 59 60.046 -5.055 -5.597 1.00 0.56 C ATOM 944 OE1 GLN A 59 59.683 -4.228 -4.784 1.00 0.82 O ATOM 945 NE2 GLN A 59 59.409 -5.180 -6.729 1.00 0.81 N ATOM 0 H GLN A 59 62.819 -4.898 -7.871 1.00 0.25 H new ATOM 0 HA GLN A 59 62.075 -3.477 -6.210 1.00 0.30 H new ATOM 0 HB2 GLN A 59 63.243 -5.761 -4.496 1.00 0.37 H new ATOM 0 HB3 GLN A 59 62.112 -4.564 -3.897 1.00 0.37 H new ATOM 0 HG2 GLN A 59 61.545 -6.486 -6.213 1.00 0.46 H new ATOM 0 HG3 GLN A 59 60.979 -6.713 -4.570 1.00 0.46 H new ATOM 0 HE21 GLN A 59 59.713 -5.874 -7.412 1.00 0.81 H new ATOM 0 HE22 GLN A 59 58.607 -4.584 -6.931 1.00 0.81 H new ATOM 954 N GLY A 60 65.033 -2.958 -6.081 1.00 0.19 N ATOM 955 CA GLY A 60 66.040 -1.938 -5.640 1.00 0.16 C ATOM 956 C GLY A 60 66.890 -2.479 -4.484 1.00 0.12 C ATOM 957 O GLY A 60 67.435 -1.711 -3.706 1.00 0.12 O ATOM 0 H GLY A 60 65.232 -3.409 -6.974 1.00 0.19 H new ATOM 0 HA2 GLY A 60 66.684 -1.670 -6.477 1.00 0.16 H new ATOM 0 HA3 GLY A 60 65.529 -1.027 -5.327 1.00 0.16 H new ATOM 961 N SER A 61 66.947 -3.779 -4.317 1.00 0.14 N ATOM 962 CA SER A 61 67.702 -4.357 -3.161 1.00 0.16 C ATOM 963 C SER A 61 69.207 -4.338 -3.443 1.00 0.15 C ATOM 964 O SER A 61 69.640 -4.604 -4.548 1.00 0.18 O ATOM 965 CB SER A 61 67.204 -5.795 -3.030 1.00 0.21 C ATOM 966 OG SER A 61 65.787 -5.793 -2.906 1.00 1.30 O ATOM 0 H SER A 61 66.504 -4.463 -4.930 1.00 0.14 H new ATOM 0 HA SER A 61 67.542 -3.787 -2.246 1.00 0.16 H new ATOM 0 HB2 SER A 61 67.503 -6.376 -3.902 1.00 0.21 H new ATOM 0 HB3 SER A 61 67.656 -6.271 -2.160 1.00 0.21 H new ATOM 0 HG SER A 61 65.381 -5.794 -3.798 1.00 1.30 H new ATOM 972 N VAL A 62 70.002 -4.141 -2.421 1.00 0.14 N ATOM 973 CA VAL A 62 71.485 -4.242 -2.576 1.00 0.15 C ATOM 974 C VAL A 62 72.081 -4.977 -1.367 1.00 0.14 C ATOM 975 O VAL A 62 71.523 -4.943 -0.285 1.00 0.14 O ATOM 976 CB VAL A 62 71.981 -2.792 -2.657 1.00 0.17 C ATOM 977 CG1 VAL A 62 71.612 -2.033 -1.380 1.00 0.17 C ATOM 978 CG2 VAL A 62 73.501 -2.783 -2.830 1.00 0.21 C ATOM 0 H VAL A 62 69.684 -3.913 -1.479 1.00 0.14 H new ATOM 0 HA VAL A 62 71.781 -4.805 -3.461 1.00 0.15 H new ATOM 0 HB VAL A 62 71.508 -2.304 -3.509 1.00 0.17 H new ATOM 0 HG11 VAL A 62 71.970 -1.006 -1.451 1.00 0.17 H new ATOM 0 HG12 VAL A 62 70.529 -2.032 -1.257 1.00 0.17 H new ATOM 0 HG13 VAL A 62 72.074 -2.520 -0.521 1.00 0.17 H new ATOM 0 HG21 VAL A 62 73.855 -1.754 -2.888 1.00 0.21 H new ATOM 0 HG22 VAL A 62 73.967 -3.280 -1.979 1.00 0.21 H new ATOM 0 HG23 VAL A 62 73.766 -3.310 -3.747 1.00 0.21 H new ATOM 988 N ILE A 63 73.135 -5.732 -1.573 1.00 0.16 N ATOM 989 CA ILE A 63 73.684 -6.579 -0.463 1.00 0.17 C ATOM 990 C ILE A 63 75.021 -6.016 0.032 1.00 0.16 C ATOM 991 O ILE A 63 75.992 -5.978 -0.701 1.00 0.19 O ATOM 992 CB ILE A 63 73.897 -7.975 -1.073 1.00 0.23 C ATOM 993 CG1 ILE A 63 72.598 -8.500 -1.720 1.00 0.26 C ATOM 994 CG2 ILE A 63 74.343 -8.945 0.023 1.00 0.26 C ATOM 995 CD1 ILE A 63 71.455 -8.536 -0.695 1.00 0.34 C ATOM 0 H ILE A 63 73.638 -5.799 -2.458 1.00 0.16 H new ATOM 0 HA ILE A 63 73.007 -6.605 0.391 1.00 0.17 H new ATOM 0 HB ILE A 63 74.663 -7.901 -1.845 1.00 0.23 H new ATOM 0 HG12 ILE A 63 72.320 -7.862 -2.559 1.00 0.26 H new ATOM 0 HG13 ILE A 63 72.764 -9.500 -2.121 1.00 0.26 H new ATOM 0 HG21 ILE A 63 74.495 -9.935 -0.407 1.00 0.26 H new ATOM 0 HG22 ILE A 63 75.277 -8.593 0.462 1.00 0.26 H new ATOM 0 HG23 ILE A 63 73.576 -8.999 0.796 1.00 0.26 H new ATOM 0 HD11 ILE A 63 70.549 -8.909 -1.173 1.00 0.34 H new ATOM 0 HD12 ILE A 63 71.727 -9.194 0.130 1.00 0.34 H new ATOM 0 HD13 ILE A 63 71.276 -7.531 -0.314 1.00 0.34 H new ATOM 1007 N ILE A 64 75.106 -5.700 1.304 1.00 0.15 N ATOM 1008 CA ILE A 64 76.417 -5.277 1.895 1.00 0.16 C ATOM 1009 C ILE A 64 77.286 -6.520 2.170 1.00 0.18 C ATOM 1010 O ILE A 64 76.771 -7.535 2.582 1.00 0.20 O ATOM 1011 CB ILE A 64 76.058 -4.563 3.204 1.00 0.19 C ATOM 1012 CG1 ILE A 64 75.165 -3.355 2.902 1.00 0.17 C ATOM 1013 CG2 ILE A 64 77.335 -4.081 3.897 1.00 0.34 C ATOM 1014 CD1 ILE A 64 74.662 -2.752 4.214 1.00 0.32 C ATOM 0 H ILE A 64 74.324 -5.717 1.958 1.00 0.15 H new ATOM 0 HA ILE A 64 76.985 -4.627 1.230 1.00 0.16 H new ATOM 0 HB ILE A 64 75.529 -5.258 3.856 1.00 0.19 H new ATOM 0 HG12 ILE A 64 75.723 -2.609 2.337 1.00 0.17 H new ATOM 0 HG13 ILE A 64 74.322 -3.659 2.282 1.00 0.17 H new ATOM 0 HG21 ILE A 64 77.075 -3.574 4.827 1.00 0.34 H new ATOM 0 HG22 ILE A 64 77.975 -4.936 4.116 1.00 0.34 H new ATOM 0 HG23 ILE A 64 77.865 -3.389 3.242 1.00 0.34 H new ATOM 0 HD11 ILE A 64 74.027 -1.893 4.000 1.00 0.32 H new ATOM 0 HD12 ILE A 64 74.088 -3.500 4.762 1.00 0.32 H new ATOM 0 HD13 ILE A 64 75.512 -2.433 4.817 1.00 0.32 H new ATOM 1026 N PRO A 65 78.582 -6.415 1.945 1.00 0.19 N ATOM 1027 CA PRO A 65 79.488 -7.578 2.188 1.00 0.23 C ATOM 1028 C PRO A 65 79.525 -7.935 3.679 1.00 0.26 C ATOM 1029 O PRO A 65 79.695 -7.079 4.528 1.00 0.23 O ATOM 1030 CB PRO A 65 80.843 -7.063 1.710 1.00 0.26 C ATOM 1031 CG PRO A 65 80.737 -5.588 1.884 1.00 0.24 C ATOM 1032 CD PRO A 65 79.340 -5.244 1.466 1.00 0.21 C ATOM 0 HA PRO A 65 79.173 -8.488 1.677 1.00 0.23 H new ATOM 0 HB2 PRO A 65 81.661 -7.479 2.299 1.00 0.26 H new ATOM 0 HB3 PRO A 65 81.030 -7.332 0.670 1.00 0.26 H new ATOM 0 HG2 PRO A 65 80.921 -5.299 2.919 1.00 0.24 H new ATOM 0 HG3 PRO A 65 81.472 -5.065 1.272 1.00 0.24 H new ATOM 0 HD2 PRO A 65 78.993 -4.318 1.924 1.00 0.21 H new ATOM 0 HD3 PRO A 65 79.256 -5.117 0.387 1.00 0.21 H new ATOM 1040 N LYS A 66 79.369 -9.197 4.000 1.00 0.41 N ATOM 1041 CA LYS A 66 79.389 -9.633 5.437 1.00 0.51 C ATOM 1042 C LYS A 66 80.682 -9.176 6.130 1.00 0.44 C ATOM 1043 O LYS A 66 80.697 -8.892 7.313 1.00 0.42 O ATOM 1044 CB LYS A 66 79.293 -11.167 5.400 1.00 0.69 C ATOM 1045 CG LYS A 66 80.510 -11.760 4.680 1.00 0.96 C ATOM 1046 CD LYS A 66 80.335 -13.273 4.537 1.00 1.31 C ATOM 1047 CE LYS A 66 81.656 -13.900 4.086 1.00 1.89 C ATOM 1048 NZ LYS A 66 82.495 -13.952 5.315 1.00 2.62 N ATOM 0 H LYS A 66 79.228 -9.950 3.326 1.00 0.41 H new ATOM 0 HA LYS A 66 78.569 -9.194 6.005 1.00 0.51 H new ATOM 0 HB2 LYS A 66 79.236 -11.559 6.415 1.00 0.69 H new ATOM 0 HB3 LYS A 66 78.378 -11.469 4.890 1.00 0.69 H new ATOM 0 HG2 LYS A 66 80.622 -11.302 3.697 1.00 0.96 H new ATOM 0 HG3 LYS A 66 81.419 -11.540 5.240 1.00 0.96 H new ATOM 0 HD2 LYS A 66 80.021 -13.705 5.487 1.00 1.31 H new ATOM 0 HD3 LYS A 66 79.550 -13.492 3.813 1.00 1.31 H new ATOM 0 HE2 LYS A 66 81.499 -14.896 3.672 1.00 1.89 H new ATOM 0 HE3 LYS A 66 82.132 -13.303 3.308 1.00 1.89 H new ATOM 0 HZ1 LYS A 66 83.405 -13.482 5.134 1.00 2.62 H new ATOM 0 HZ2 LYS A 66 82.003 -13.467 6.092 1.00 2.62 H new ATOM 0 HZ3 LYS A 66 82.664 -14.944 5.578 1.00 2.62 H new ATOM 1062 N ALA A 67 81.766 -9.129 5.395 1.00 0.43 N ATOM 1063 CA ALA A 67 83.077 -8.721 5.999 1.00 0.40 C ATOM 1064 C ALA A 67 82.969 -7.316 6.596 1.00 0.30 C ATOM 1065 O ALA A 67 83.492 -7.041 7.664 1.00 0.28 O ATOM 1066 CB ALA A 67 84.080 -8.734 4.842 1.00 0.45 C ATOM 0 H ALA A 67 81.802 -9.356 4.401 1.00 0.43 H new ATOM 0 HA ALA A 67 83.381 -9.390 6.805 1.00 0.40 H new ATOM 0 HB1 ALA A 67 85.064 -8.445 5.210 1.00 0.45 H new ATOM 0 HB2 ALA A 67 84.132 -9.736 4.417 1.00 0.45 H new ATOM 0 HB3 ALA A 67 83.759 -8.030 4.074 1.00 0.45 H new ATOM 1072 N LEU A 68 82.249 -6.444 5.937 1.00 0.27 N ATOM 1073 CA LEU A 68 82.051 -5.067 6.477 1.00 0.23 C ATOM 1074 C LEU A 68 81.018 -5.080 7.605 1.00 0.22 C ATOM 1075 O LEU A 68 81.130 -4.324 8.551 1.00 0.22 O ATOM 1076 CB LEU A 68 81.565 -4.218 5.296 1.00 0.28 C ATOM 1077 CG LEU A 68 82.689 -4.056 4.261 1.00 0.99 C ATOM 1078 CD1 LEU A 68 82.185 -3.210 3.090 1.00 1.24 C ATOM 1079 CD2 LEU A 68 83.894 -3.351 4.897 1.00 1.82 C ATOM 0 H LEU A 68 81.789 -6.628 5.046 1.00 0.27 H new ATOM 0 HA LEU A 68 82.971 -4.663 6.899 1.00 0.23 H new ATOM 0 HB2 LEU A 68 80.699 -4.689 4.832 1.00 0.28 H new ATOM 0 HB3 LEU A 68 81.243 -3.239 5.651 1.00 0.28 H new ATOM 0 HG LEU A 68 82.989 -5.043 3.910 1.00 0.99 H new ATOM 0 HD11 LEU A 68 82.982 -3.094 2.355 1.00 1.24 H new ATOM 0 HD12 LEU A 68 81.332 -3.704 2.625 1.00 1.24 H new ATOM 0 HD13 LEU A 68 81.882 -2.228 3.454 1.00 1.24 H new ATOM 0 HD21 LEU A 68 84.685 -3.241 4.155 1.00 1.82 H new ATOM 0 HD22 LEU A 68 83.593 -2.366 5.254 1.00 1.82 H new ATOM 0 HD23 LEU A 68 84.262 -3.944 5.734 1.00 1.82 H new ATOM 1091 N ARG A 69 80.032 -5.952 7.537 1.00 0.25 N ATOM 1092 CA ARG A 69 79.015 -6.023 8.643 1.00 0.28 C ATOM 1093 C ARG A 69 79.714 -6.303 9.974 1.00 0.25 C ATOM 1094 O ARG A 69 79.383 -5.731 10.996 1.00 0.26 O ATOM 1095 CB ARG A 69 78.109 -7.220 8.332 1.00 0.35 C ATOM 1096 CG ARG A 69 77.471 -7.120 6.945 1.00 0.46 C ATOM 1097 CD ARG A 69 76.403 -8.216 6.838 1.00 0.56 C ATOM 1098 NE ARG A 69 76.342 -8.598 5.391 1.00 0.98 N ATOM 1099 CZ ARG A 69 75.885 -9.781 5.006 1.00 1.92 C ATOM 1100 NH1 ARG A 69 75.432 -10.670 5.865 1.00 2.53 N ATOM 1101 NH2 ARG A 69 75.874 -10.073 3.735 1.00 2.30 N ATOM 0 H ARG A 69 79.889 -6.611 6.772 1.00 0.25 H new ATOM 0 HA ARG A 69 78.461 -5.087 8.712 1.00 0.28 H new ATOM 0 HB2 ARG A 69 78.691 -8.140 8.397 1.00 0.35 H new ATOM 0 HB3 ARG A 69 77.325 -7.285 9.086 1.00 0.35 H new ATOM 0 HG2 ARG A 69 77.024 -6.136 6.800 1.00 0.46 H new ATOM 0 HG3 ARG A 69 78.225 -7.245 6.168 1.00 0.46 H new ATOM 0 HD2 ARG A 69 76.663 -9.075 7.457 1.00 0.56 H new ATOM 0 HD3 ARG A 69 75.436 -7.853 7.186 1.00 0.56 H new ATOM 0 HE ARG A 69 76.659 -7.933 4.686 1.00 0.98 H new ATOM 0 HH11 ARG A 69 75.425 -10.458 6.863 1.00 2.53 H new ATOM 0 HH12 ARG A 69 75.088 -11.571 5.533 1.00 2.53 H new ATOM 0 HH21 ARG A 69 76.214 -9.395 3.053 1.00 2.30 H new ATOM 0 HH22 ARG A 69 75.525 -10.979 3.423 1.00 2.30 H new ATOM 1115 N ASP A 70 80.616 -7.254 9.969 1.00 0.25 N ATOM 1116 CA ASP A 70 81.280 -7.677 11.239 1.00 0.25 C ATOM 1117 C ASP A 70 82.220 -6.582 11.739 1.00 0.22 C ATOM 1118 O ASP A 70 82.202 -6.228 12.902 1.00 0.22 O ATOM 1119 CB ASP A 70 82.072 -8.939 10.887 1.00 0.27 C ATOM 1120 CG ASP A 70 82.653 -9.551 12.163 1.00 0.91 C ATOM 1121 OD1 ASP A 70 81.936 -10.283 12.824 1.00 1.56 O ATOM 1122 OD2 ASP A 70 83.804 -9.276 12.456 1.00 1.68 O ATOM 0 H ASP A 70 80.921 -7.757 9.136 1.00 0.25 H new ATOM 0 HA ASP A 70 80.555 -7.862 12.032 1.00 0.25 H new ATOM 0 HB2 ASP A 70 81.424 -9.660 10.388 1.00 0.27 H new ATOM 0 HB3 ASP A 70 82.874 -8.695 10.190 1.00 0.27 H new ATOM 1127 N VAL A 71 83.046 -6.054 10.869 1.00 0.21 N ATOM 1128 CA VAL A 71 84.024 -4.999 11.301 1.00 0.21 C ATOM 1129 C VAL A 71 83.270 -3.781 11.852 1.00 0.21 C ATOM 1130 O VAL A 71 83.729 -3.121 12.766 1.00 0.22 O ATOM 1131 CB VAL A 71 84.803 -4.637 10.024 1.00 0.23 C ATOM 1132 CG1 VAL A 71 85.773 -3.484 10.299 1.00 0.21 C ATOM 1133 CG2 VAL A 71 85.594 -5.859 9.552 1.00 0.28 C ATOM 0 H VAL A 71 83.088 -6.305 9.881 1.00 0.21 H new ATOM 0 HA VAL A 71 84.689 -5.340 12.094 1.00 0.21 H new ATOM 0 HB VAL A 71 84.096 -4.328 9.254 1.00 0.23 H new ATOM 0 HG11 VAL A 71 86.316 -3.240 9.386 1.00 0.21 H new ATOM 0 HG12 VAL A 71 85.214 -2.610 10.633 1.00 0.21 H new ATOM 0 HG13 VAL A 71 86.480 -3.780 11.074 1.00 0.21 H new ATOM 0 HG21 VAL A 71 86.147 -5.607 8.647 1.00 0.28 H new ATOM 0 HG22 VAL A 71 86.292 -6.164 10.332 1.00 0.28 H new ATOM 0 HG23 VAL A 71 84.906 -6.678 9.340 1.00 0.28 H new ATOM 1143 N ILE A 72 82.166 -3.445 11.248 1.00 0.21 N ATOM 1144 CA ILE A 72 81.413 -2.220 11.663 1.00 0.22 C ATOM 1145 C ILE A 72 80.513 -2.513 12.878 1.00 0.22 C ATOM 1146 O ILE A 72 80.139 -1.606 13.600 1.00 0.23 O ATOM 1147 CB ILE A 72 80.578 -1.831 10.432 1.00 0.24 C ATOM 1148 CG1 ILE A 72 81.514 -1.558 9.247 1.00 0.25 C ATOM 1149 CG2 ILE A 72 79.767 -0.563 10.725 1.00 0.27 C ATOM 1150 CD1 ILE A 72 80.688 -1.326 7.982 1.00 0.28 C ATOM 0 H ILE A 72 81.746 -3.967 10.479 1.00 0.21 H new ATOM 0 HA ILE A 72 82.079 -1.414 11.971 1.00 0.22 H new ATOM 0 HB ILE A 72 79.899 -2.649 10.193 1.00 0.24 H new ATOM 0 HG12 ILE A 72 82.133 -0.685 9.454 1.00 0.25 H new ATOM 0 HG13 ILE A 72 82.189 -2.401 9.103 1.00 0.25 H new ATOM 0 HG21 ILE A 72 79.179 -0.296 9.847 1.00 0.27 H new ATOM 0 HG22 ILE A 72 79.099 -0.745 11.567 1.00 0.27 H new ATOM 0 HG23 ILE A 72 80.445 0.254 10.970 1.00 0.27 H new ATOM 0 HD11 ILE A 72 81.355 -1.132 7.142 1.00 0.28 H new ATOM 0 HD12 ILE A 72 80.088 -2.211 7.772 1.00 0.28 H new ATOM 0 HD13 ILE A 72 80.031 -0.469 8.129 1.00 0.28 H new ATOM 1162 N GLY A 73 80.231 -3.770 13.163 1.00 0.21 N ATOM 1163 CA GLY A 73 79.436 -4.102 14.389 1.00 0.21 C ATOM 1164 C GLY A 73 77.954 -3.802 14.140 1.00 0.20 C ATOM 1165 O GLY A 73 77.272 -3.279 15.003 1.00 0.22 O ATOM 0 H GLY A 73 80.517 -4.572 12.601 1.00 0.21 H new ATOM 0 HA2 GLY A 73 79.566 -5.153 14.645 1.00 0.21 H new ATOM 0 HA3 GLY A 73 79.797 -3.520 15.237 1.00 0.21 H new ATOM 1169 N ILE A 74 77.486 -4.019 12.934 1.00 0.20 N ATOM 1170 CA ILE A 74 76.082 -3.624 12.581 1.00 0.21 C ATOM 1171 C ILE A 74 75.107 -4.770 12.878 1.00 0.21 C ATOM 1172 O ILE A 74 75.443 -5.933 12.755 1.00 0.23 O ATOM 1173 CB ILE A 74 76.110 -3.315 11.077 1.00 0.24 C ATOM 1174 CG1 ILE A 74 77.148 -2.215 10.775 1.00 0.27 C ATOM 1175 CG2 ILE A 74 74.724 -2.846 10.621 1.00 0.27 C ATOM 1176 CD1 ILE A 74 76.816 -0.930 11.548 1.00 0.77 C ATOM 0 H ILE A 74 78.015 -4.453 12.177 1.00 0.20 H new ATOM 0 HA ILE A 74 75.745 -2.767 13.164 1.00 0.21 H new ATOM 0 HB ILE A 74 76.387 -4.221 10.538 1.00 0.24 H new ATOM 0 HG12 ILE A 74 78.144 -2.563 11.048 1.00 0.27 H new ATOM 0 HG13 ILE A 74 77.165 -2.008 9.705 1.00 0.27 H new ATOM 0 HG21 ILE A 74 74.747 -2.627 9.553 1.00 0.27 H new ATOM 0 HG22 ILE A 74 73.992 -3.630 10.815 1.00 0.27 H new ATOM 0 HG23 ILE A 74 74.446 -1.946 11.170 1.00 0.27 H new ATOM 0 HD11 ILE A 74 77.560 -0.166 11.321 1.00 0.77 H new ATOM 0 HD12 ILE A 74 75.829 -0.573 11.254 1.00 0.77 H new ATOM 0 HD13 ILE A 74 76.823 -1.137 12.618 1.00 0.77 H new ATOM 1188 N LYS A 75 73.920 -4.438 13.326 1.00 0.22 N ATOM 1189 CA LYS A 75 72.924 -5.487 13.703 1.00 0.24 C ATOM 1190 C LYS A 75 71.567 -5.221 13.021 1.00 0.24 C ATOM 1191 O LYS A 75 71.261 -4.093 12.684 1.00 0.23 O ATOM 1192 CB LYS A 75 72.787 -5.367 15.222 1.00 0.29 C ATOM 1193 CG LYS A 75 73.996 -6.016 15.898 1.00 1.19 C ATOM 1194 CD LYS A 75 74.345 -5.244 17.173 1.00 1.71 C ATOM 1195 CE LYS A 75 75.444 -5.987 17.936 1.00 2.52 C ATOM 1196 NZ LYS A 75 74.734 -7.064 18.681 1.00 3.21 N ATOM 0 H LYS A 75 73.597 -3.478 13.447 1.00 0.22 H new ATOM 0 HA LYS A 75 73.241 -6.482 13.391 1.00 0.24 H new ATOM 0 HB2 LYS A 75 72.716 -4.318 15.509 1.00 0.29 H new ATOM 0 HB3 LYS A 75 71.868 -5.851 15.554 1.00 0.29 H new ATOM 0 HG2 LYS A 75 73.776 -7.056 16.139 1.00 1.19 H new ATOM 0 HG3 LYS A 75 74.848 -6.019 15.218 1.00 1.19 H new ATOM 0 HD2 LYS A 75 74.679 -4.238 16.921 1.00 1.71 H new ATOM 0 HD3 LYS A 75 73.460 -5.138 17.800 1.00 1.71 H new ATOM 0 HE2 LYS A 75 76.187 -6.402 17.254 1.00 2.52 H new ATOM 0 HE3 LYS A 75 75.973 -5.319 18.616 1.00 2.52 H new ATOM 0 HZ1 LYS A 75 74.792 -6.876 19.702 1.00 3.21 H new ATOM 0 HZ2 LYS A 75 73.736 -7.088 18.390 1.00 3.21 H new ATOM 0 HZ3 LYS A 75 75.178 -7.981 18.472 1.00 3.21 H new ATOM 1210 N PRO A 76 70.762 -6.263 12.871 1.00 0.25 N ATOM 1211 CA PRO A 76 69.412 -6.090 12.266 1.00 0.26 C ATOM 1212 C PRO A 76 68.591 -5.030 13.019 1.00 0.24 C ATOM 1213 O PRO A 76 68.481 -5.065 14.231 1.00 0.23 O ATOM 1214 CB PRO A 76 68.758 -7.464 12.405 1.00 0.29 C ATOM 1215 CG PRO A 76 69.880 -8.430 12.622 1.00 0.50 C ATOM 1216 CD PRO A 76 71.023 -7.668 13.234 1.00 0.28 C ATOM 0 HA PRO A 76 69.470 -5.749 11.232 1.00 0.26 H new ATOM 0 HB2 PRO A 76 68.060 -7.482 13.242 1.00 0.29 H new ATOM 0 HB3 PRO A 76 68.190 -7.719 11.510 1.00 0.29 H new ATOM 0 HG2 PRO A 76 69.565 -9.241 13.278 1.00 0.50 H new ATOM 0 HG3 PRO A 76 70.183 -8.883 11.678 1.00 0.50 H new ATOM 0 HD2 PRO A 76 71.055 -7.800 14.316 1.00 0.28 H new ATOM 0 HD3 PRO A 76 71.982 -8.008 12.843 1.00 0.28 H new ATOM 1224 N GLY A 77 67.954 -4.142 12.294 1.00 0.24 N ATOM 1225 CA GLY A 77 67.058 -3.131 12.940 1.00 0.24 C ATOM 1226 C GLY A 77 67.822 -1.830 13.256 1.00 0.22 C ATOM 1227 O GLY A 77 67.243 -0.889 13.768 1.00 0.24 O ATOM 0 H GLY A 77 68.016 -4.074 11.278 1.00 0.24 H new ATOM 0 HA2 GLY A 77 66.218 -2.912 12.281 1.00 0.24 H new ATOM 0 HA3 GLY A 77 66.642 -3.544 13.859 1.00 0.24 H new ATOM 1231 N GLU A 78 69.101 -1.755 12.946 1.00 0.20 N ATOM 1232 CA GLU A 78 69.874 -0.500 13.220 1.00 0.20 C ATOM 1233 C GLU A 78 69.935 0.370 11.970 1.00 0.18 C ATOM 1234 O GLU A 78 70.155 -0.123 10.879 1.00 0.18 O ATOM 1235 CB GLU A 78 71.273 -0.958 13.631 1.00 0.20 C ATOM 1236 CG GLU A 78 71.330 -1.088 15.156 1.00 0.22 C ATOM 1237 CD GLU A 78 72.765 -1.384 15.607 1.00 0.23 C ATOM 1238 OE1 GLU A 78 73.513 -1.947 14.822 1.00 1.07 O ATOM 1239 OE2 GLU A 78 73.092 -1.043 16.732 1.00 1.11 O ATOM 0 H GLU A 78 69.638 -2.508 12.517 1.00 0.20 H new ATOM 0 HA GLU A 78 69.407 0.101 14.000 1.00 0.20 H new ATOM 0 HB2 GLU A 78 71.508 -1.914 13.163 1.00 0.20 H new ATOM 0 HB3 GLU A 78 72.019 -0.242 13.286 1.00 0.20 H new ATOM 0 HG2 GLU A 78 70.977 -0.167 15.621 1.00 0.22 H new ATOM 0 HG3 GLU A 78 70.665 -1.886 15.486 1.00 0.22 H new ATOM 1246 N VAL A 79 69.653 1.640 12.114 1.00 0.19 N ATOM 1247 CA VAL A 79 69.579 2.536 10.921 1.00 0.18 C ATOM 1248 C VAL A 79 70.940 3.179 10.633 1.00 0.18 C ATOM 1249 O VAL A 79 71.548 3.788 11.491 1.00 0.19 O ATOM 1250 CB VAL A 79 68.530 3.597 11.288 1.00 0.20 C ATOM 1251 CG1 VAL A 79 68.984 4.399 12.522 1.00 0.24 C ATOM 1252 CG2 VAL A 79 68.329 4.544 10.097 1.00 0.21 C ATOM 0 H VAL A 79 69.471 2.096 13.008 1.00 0.19 H new ATOM 0 HA VAL A 79 69.308 1.992 10.016 1.00 0.18 H new ATOM 0 HB VAL A 79 67.589 3.100 11.525 1.00 0.20 H new ATOM 0 HG11 VAL A 79 68.229 5.146 12.768 1.00 0.24 H new ATOM 0 HG12 VAL A 79 69.115 3.723 13.367 1.00 0.24 H new ATOM 0 HG13 VAL A 79 69.930 4.896 12.305 1.00 0.24 H new ATOM 0 HG21 VAL A 79 67.585 5.298 10.353 1.00 0.21 H new ATOM 0 HG22 VAL A 79 69.273 5.032 9.857 1.00 0.21 H new ATOM 0 HG23 VAL A 79 67.985 3.975 9.233 1.00 0.21 H new ATOM 1262 N ILE A 80 71.374 3.097 9.405 1.00 0.17 N ATOM 1263 CA ILE A 80 72.649 3.748 8.992 1.00 0.17 C ATOM 1264 C ILE A 80 72.358 4.811 7.927 1.00 0.17 C ATOM 1265 O ILE A 80 71.386 4.713 7.199 1.00 0.17 O ATOM 1266 CB ILE A 80 73.521 2.614 8.417 1.00 0.17 C ATOM 1267 CG1 ILE A 80 72.821 1.977 7.210 1.00 0.17 C ATOM 1268 CG2 ILE A 80 73.755 1.547 9.489 1.00 0.18 C ATOM 1269 CD1 ILE A 80 73.758 0.964 6.548 1.00 0.18 C ATOM 0 H ILE A 80 70.890 2.598 8.658 1.00 0.17 H new ATOM 0 HA ILE A 80 73.151 4.249 9.819 1.00 0.17 H new ATOM 0 HB ILE A 80 74.478 3.029 8.101 1.00 0.17 H new ATOM 0 HG12 ILE A 80 71.902 1.484 7.528 1.00 0.17 H new ATOM 0 HG13 ILE A 80 72.537 2.748 6.493 1.00 0.17 H new ATOM 0 HG21 ILE A 80 74.372 0.748 9.078 1.00 0.18 H new ATOM 0 HG22 ILE A 80 74.263 1.995 10.343 1.00 0.18 H new ATOM 0 HG23 ILE A 80 72.797 1.138 9.810 1.00 0.18 H new ATOM 0 HD11 ILE A 80 73.259 0.513 5.691 1.00 0.18 H new ATOM 0 HD12 ILE A 80 74.664 1.470 6.215 1.00 0.18 H new ATOM 0 HD13 ILE A 80 74.019 0.187 7.266 1.00 0.18 H new ATOM 1281 N GLU A 81 73.256 5.741 7.756 1.00 0.18 N ATOM 1282 CA GLU A 81 73.121 6.729 6.649 1.00 0.18 C ATOM 1283 C GLU A 81 73.992 6.282 5.479 1.00 0.17 C ATOM 1284 O GLU A 81 75.102 5.819 5.670 1.00 0.19 O ATOM 1285 CB GLU A 81 73.627 8.051 7.227 1.00 0.20 C ATOM 1286 CG GLU A 81 73.420 9.172 6.197 1.00 0.21 C ATOM 1287 CD GLU A 81 74.001 10.501 6.712 1.00 0.23 C ATOM 1288 OE1 GLU A 81 74.591 10.514 7.786 1.00 1.14 O ATOM 1289 OE2 GLU A 81 73.845 11.492 6.018 1.00 1.04 O ATOM 0 H GLU A 81 74.084 5.860 8.340 1.00 0.18 H new ATOM 0 HA GLU A 81 72.098 6.823 6.284 1.00 0.18 H new ATOM 0 HB2 GLU A 81 73.093 8.286 8.148 1.00 0.20 H new ATOM 0 HB3 GLU A 81 74.683 7.968 7.483 1.00 0.20 H new ATOM 0 HG2 GLU A 81 73.899 8.901 5.256 1.00 0.21 H new ATOM 0 HG3 GLU A 81 72.356 9.291 5.991 1.00 0.21 H new ATOM 1296 N VAL A 82 73.431 6.260 4.300 1.00 0.16 N ATOM 1297 CA VAL A 82 74.145 5.665 3.134 1.00 0.17 C ATOM 1298 C VAL A 82 74.457 6.746 2.099 1.00 0.16 C ATOM 1299 O VAL A 82 73.591 7.492 1.681 1.00 0.17 O ATOM 1300 CB VAL A 82 73.169 4.622 2.572 1.00 0.18 C ATOM 1301 CG1 VAL A 82 73.777 3.952 1.339 1.00 0.20 C ATOM 1302 CG2 VAL A 82 72.901 3.555 3.634 1.00 0.19 C ATOM 0 H VAL A 82 72.503 6.631 4.094 1.00 0.16 H new ATOM 0 HA VAL A 82 75.100 5.217 3.408 1.00 0.17 H new ATOM 0 HB VAL A 82 72.238 5.117 2.296 1.00 0.18 H new ATOM 0 HG11 VAL A 82 73.079 3.213 0.945 1.00 0.20 H new ATOM 0 HG12 VAL A 82 73.976 4.705 0.577 1.00 0.20 H new ATOM 0 HG13 VAL A 82 74.709 3.460 1.615 1.00 0.20 H new ATOM 0 HG21 VAL A 82 72.208 2.813 3.237 1.00 0.19 H new ATOM 0 HG22 VAL A 82 73.838 3.068 3.905 1.00 0.19 H new ATOM 0 HG23 VAL A 82 72.466 4.022 4.517 1.00 0.19 H new ATOM 1312 N LEU A 83 75.694 6.820 1.688 1.00 0.16 N ATOM 1313 CA LEU A 83 76.108 7.837 0.676 1.00 0.17 C ATOM 1314 C LEU A 83 76.551 7.125 -0.603 1.00 0.15 C ATOM 1315 O LEU A 83 77.441 6.299 -0.565 1.00 0.12 O ATOM 1316 CB LEU A 83 77.318 8.571 1.286 1.00 0.21 C ATOM 1317 CG LEU A 83 77.024 9.054 2.712 1.00 0.20 C ATOM 1318 CD1 LEU A 83 78.266 9.745 3.278 1.00 0.25 C ATOM 1319 CD2 LEU A 83 75.852 10.032 2.690 1.00 0.20 C ATOM 0 H LEU A 83 76.445 6.212 2.014 1.00 0.16 H new ATOM 0 HA LEU A 83 75.294 8.521 0.434 1.00 0.17 H new ATOM 0 HB2 LEU A 83 78.181 7.905 1.297 1.00 0.21 H new ATOM 0 HB3 LEU A 83 77.581 9.423 0.659 1.00 0.21 H new ATOM 0 HG LEU A 83 76.766 8.202 3.341 1.00 0.20 H new ATOM 0 HD11 LEU A 83 78.061 10.090 4.291 1.00 0.25 H new ATOM 0 HD12 LEU A 83 79.098 9.041 3.296 1.00 0.25 H new ATOM 0 HD13 LEU A 83 78.526 10.598 2.651 1.00 0.25 H new ATOM 0 HD21 LEU A 83 75.645 10.374 3.704 1.00 0.20 H new ATOM 0 HD22 LEU A 83 76.104 10.887 2.063 1.00 0.20 H new ATOM 0 HD23 LEU A 83 74.970 9.534 2.288 1.00 0.20 H new ATOM 1331 N LEU A 84 76.039 7.526 -1.740 1.00 0.16 N ATOM 1332 CA LEU A 84 76.549 6.963 -3.030 1.00 0.15 C ATOM 1333 C LEU A 84 77.850 7.661 -3.427 1.00 0.15 C ATOM 1334 O LEU A 84 78.016 8.846 -3.208 1.00 0.17 O ATOM 1335 CB LEU A 84 75.455 7.237 -4.053 1.00 0.18 C ATOM 1336 CG LEU A 84 74.437 6.095 -4.018 1.00 0.21 C ATOM 1337 CD1 LEU A 84 73.043 6.620 -4.399 1.00 0.20 C ATOM 1338 CD2 LEU A 84 74.877 5.015 -5.012 1.00 0.28 C ATOM 0 H LEU A 84 75.293 8.216 -1.832 1.00 0.16 H new ATOM 0 HA LEU A 84 76.768 5.898 -2.957 1.00 0.15 H new ATOM 0 HB2 LEU A 84 74.964 8.185 -3.833 1.00 0.18 H new ATOM 0 HB3 LEU A 84 75.887 7.325 -5.050 1.00 0.18 H new ATOM 0 HG LEU A 84 74.387 5.676 -3.013 1.00 0.21 H new ATOM 0 HD11 LEU A 84 72.325 5.800 -4.371 1.00 0.20 H new ATOM 0 HD12 LEU A 84 72.739 7.392 -3.692 1.00 0.20 H new ATOM 0 HD13 LEU A 84 73.075 7.041 -5.404 1.00 0.20 H new ATOM 0 HD21 LEU A 84 74.160 4.194 -4.998 1.00 0.28 H new ATOM 0 HD22 LEU A 84 74.922 5.440 -6.015 1.00 0.28 H new ATOM 0 HD23 LEU A 84 75.862 4.642 -4.731 1.00 0.28 H new ATOM 1350 N LEU A 85 78.785 6.921 -3.966 1.00 0.14 N ATOM 1351 CA LEU A 85 80.103 7.517 -4.334 1.00 0.17 C ATOM 1352 C LEU A 85 80.276 7.556 -5.856 1.00 0.18 C ATOM 1353 O LEU A 85 80.942 8.431 -6.380 1.00 0.24 O ATOM 1354 CB LEU A 85 81.143 6.602 -3.687 1.00 0.22 C ATOM 1355 CG LEU A 85 81.456 7.110 -2.278 1.00 0.89 C ATOM 1356 CD1 LEU A 85 82.129 5.999 -1.472 1.00 1.13 C ATOM 1357 CD2 LEU A 85 82.396 8.316 -2.370 1.00 1.60 C ATOM 0 H LEU A 85 78.691 5.926 -4.168 1.00 0.14 H new ATOM 0 HA LEU A 85 80.198 8.547 -3.991 1.00 0.17 H new ATOM 0 HB2 LEU A 85 80.767 5.580 -3.642 1.00 0.22 H new ATOM 0 HB3 LEU A 85 82.051 6.582 -4.289 1.00 0.22 H new ATOM 0 HG LEU A 85 80.531 7.406 -1.784 1.00 0.89 H new ATOM 0 HD11 LEU A 85 82.352 6.361 -0.468 1.00 1.13 H new ATOM 0 HD12 LEU A 85 81.461 5.140 -1.408 1.00 1.13 H new ATOM 0 HD13 LEU A 85 83.055 5.702 -1.964 1.00 1.13 H new ATOM 0 HD21 LEU A 85 82.620 8.680 -1.367 1.00 1.60 H new ATOM 0 HD22 LEU A 85 83.321 8.019 -2.864 1.00 1.60 H new ATOM 0 HD23 LEU A 85 81.916 9.108 -2.944 1.00 1.60 H new ATOM 1369 N GLY A 86 79.720 6.596 -6.563 1.00 0.16 N ATOM 1370 CA GLY A 86 79.904 6.568 -8.055 1.00 0.20 C ATOM 1371 C GLY A 86 78.969 5.543 -8.706 1.00 0.17 C ATOM 1372 O GLY A 86 78.130 4.955 -8.057 1.00 0.15 O ATOM 0 H GLY A 86 79.154 5.840 -6.179 1.00 0.16 H new ATOM 0 HA2 GLY A 86 79.708 7.558 -8.468 1.00 0.20 H new ATOM 0 HA3 GLY A 86 80.939 6.323 -8.293 1.00 0.20 H new ATOM 1376 N HIS A 87 79.110 5.340 -9.998 1.00 0.20 N ATOM 1377 CA HIS A 87 78.228 4.368 -10.723 1.00 0.19 C ATOM 1378 C HIS A 87 79.001 3.680 -11.861 1.00 0.19 C ATOM 1379 O HIS A 87 79.907 4.254 -12.436 1.00 0.24 O ATOM 1380 CB HIS A 87 77.073 5.209 -11.291 1.00 0.28 C ATOM 1381 CG HIS A 87 77.603 6.290 -12.201 1.00 0.76 C ATOM 1382 ND1 HIS A 87 77.698 6.119 -13.574 1.00 1.31 N ATOM 1383 CD2 HIS A 87 78.071 7.556 -11.949 1.00 1.72 C ATOM 1384 CE1 HIS A 87 78.203 7.255 -14.090 1.00 1.57 C ATOM 1385 NE2 HIS A 87 78.449 8.163 -13.141 1.00 1.89 N ATOM 0 H HIS A 87 79.802 5.809 -10.583 1.00 0.20 H new ATOM 0 HA HIS A 87 77.870 3.578 -10.062 1.00 0.19 H new ATOM 0 HB2 HIS A 87 76.385 4.567 -11.841 1.00 0.28 H new ATOM 0 HB3 HIS A 87 76.507 5.658 -10.475 1.00 0.28 H new ATOM 0 HD2 HIS A 87 78.136 8.012 -10.972 1.00 1.72 H new ATOM 0 HE1 HIS A 87 78.387 7.413 -15.142 1.00 1.57 H new ATOM 0 HE2 HIS A 87 78.832 9.100 -13.265 1.00 1.89 H new ATOM 1393 N TYR A 88 78.597 2.487 -12.234 1.00 0.16 N ATOM 1394 CA TYR A 88 79.244 1.790 -13.385 1.00 0.19 C ATOM 1395 C TYR A 88 78.177 1.164 -14.289 1.00 0.21 C ATOM 1396 O TYR A 88 77.187 0.634 -13.817 1.00 0.17 O ATOM 1397 CB TYR A 88 80.123 0.710 -12.752 1.00 0.21 C ATOM 1398 CG TYR A 88 81.257 1.364 -12.002 1.00 0.32 C ATOM 1399 CD1 TYR A 88 82.476 1.686 -12.685 1.00 0.66 C ATOM 1400 CD2 TYR A 88 81.116 1.666 -10.605 1.00 0.59 C ATOM 1401 CE1 TYR A 88 83.556 2.309 -11.973 1.00 0.77 C ATOM 1402 CE2 TYR A 88 82.195 2.289 -9.893 1.00 0.70 C ATOM 1403 CZ TYR A 88 83.416 2.611 -10.577 1.00 0.65 C ATOM 1404 OH TYR A 88 84.453 3.210 -9.893 1.00 0.80 O ATOM 0 H TYR A 88 77.843 1.967 -11.786 1.00 0.16 H new ATOM 0 HA TYR A 88 79.826 2.469 -14.008 1.00 0.19 H new ATOM 0 HB2 TYR A 88 79.531 0.095 -12.074 1.00 0.21 H new ATOM 0 HB3 TYR A 88 80.516 0.047 -13.523 1.00 0.21 H new ATOM 0 HD1 TYR A 88 82.582 1.460 -13.736 1.00 0.66 H new ATOM 0 HD2 TYR A 88 80.198 1.424 -10.090 1.00 0.59 H new ATOM 0 HE1 TYR A 88 84.474 2.550 -12.488 1.00 0.77 H new ATOM 0 HE2 TYR A 88 82.089 2.516 -8.842 1.00 0.70 H new ATOM 0 HH TYR A 88 84.148 3.471 -8.999 1.00 0.80 H new ATOM 1414 N LYS A 89 78.380 1.215 -15.582 1.00 0.29 N ATOM 1415 CA LYS A 89 77.389 0.619 -16.530 1.00 0.33 C ATOM 1416 C LYS A 89 77.956 -0.667 -17.159 1.00 0.52 C ATOM 1417 O LYS A 89 79.154 -0.871 -17.151 1.00 0.94 O ATOM 1418 CB LYS A 89 77.154 1.691 -17.603 1.00 0.48 C ATOM 1419 CG LYS A 89 78.477 2.061 -18.287 1.00 1.38 C ATOM 1420 CD LYS A 89 78.193 2.567 -19.704 1.00 1.82 C ATOM 1421 CE LYS A 89 77.711 4.019 -19.642 1.00 2.32 C ATOM 1422 NZ LYS A 89 78.925 4.838 -19.917 1.00 2.99 N ATOM 0 H LYS A 89 79.193 1.645 -16.023 1.00 0.29 H new ATOM 0 HA LYS A 89 76.461 0.342 -16.029 1.00 0.33 H new ATOM 0 HB2 LYS A 89 76.444 1.324 -18.344 1.00 0.48 H new ATOM 0 HB3 LYS A 89 76.711 2.578 -17.150 1.00 0.48 H new ATOM 0 HG2 LYS A 89 78.994 2.829 -17.712 1.00 1.38 H new ATOM 0 HG3 LYS A 89 79.135 1.193 -18.324 1.00 1.38 H new ATOM 0 HD2 LYS A 89 79.094 2.498 -20.314 1.00 1.82 H new ATOM 0 HD3 LYS A 89 77.437 1.942 -20.180 1.00 1.82 H new ATOM 0 HE2 LYS A 89 76.931 4.208 -20.380 1.00 2.32 H new ATOM 0 HE3 LYS A 89 77.289 4.254 -18.665 1.00 2.32 H new ATOM 0 HZ1 LYS A 89 78.676 5.847 -19.892 1.00 2.99 H new ATOM 0 HZ2 LYS A 89 79.647 4.642 -19.195 1.00 2.99 H new ATOM 0 HZ3 LYS A 89 79.301 4.597 -20.857 1.00 2.99 H new ATOM 1436 N PRO A 90 77.081 -1.511 -17.684 1.00 0.71 N ATOM 1437 CA PRO A 90 77.535 -2.793 -18.312 1.00 0.93 C ATOM 1438 C PRO A 90 78.584 -2.532 -19.400 1.00 0.85 C ATOM 1439 O PRO A 90 78.523 -1.542 -20.106 1.00 1.30 O ATOM 1440 CB PRO A 90 76.249 -3.346 -18.921 1.00 1.39 C ATOM 1441 CG PRO A 90 75.177 -2.786 -18.051 1.00 1.68 C ATOM 1442 CD PRO A 90 75.609 -1.381 -17.754 1.00 1.19 C ATOM 0 HA PRO A 90 78.009 -3.474 -17.605 1.00 0.93 H new ATOM 0 HB2 PRO A 90 76.129 -3.031 -19.958 1.00 1.39 H new ATOM 0 HB3 PRO A 90 76.240 -4.436 -18.916 1.00 1.39 H new ATOM 0 HG2 PRO A 90 74.211 -2.803 -18.555 1.00 1.68 H new ATOM 0 HG3 PRO A 90 75.069 -3.367 -17.135 1.00 1.68 H new ATOM 0 HD2 PRO A 90 75.299 -0.687 -18.535 1.00 1.19 H new ATOM 0 HD3 PRO A 90 75.188 -1.016 -16.817 1.00 1.19 H new ATOM 1450 N ARG A 91 79.546 -3.412 -19.529 1.00 1.61 N ATOM 1451 CA ARG A 91 80.615 -3.224 -20.557 1.00 1.99 C ATOM 1452 C ARG A 91 80.673 -4.440 -21.487 1.00 2.65 C ATOM 1453 O ARG A 91 80.411 -5.556 -21.077 1.00 3.38 O ATOM 1454 CB ARG A 91 81.913 -3.095 -19.759 1.00 3.06 C ATOM 1455 CG ARG A 91 81.862 -1.828 -18.902 1.00 3.64 C ATOM 1456 CD ARG A 91 83.202 -1.636 -18.184 1.00 4.74 C ATOM 1457 NE ARG A 91 83.363 -2.854 -17.326 1.00 5.48 N ATOM 1458 CZ ARG A 91 82.683 -3.009 -16.203 1.00 6.33 C ATOM 1459 NH1 ARG A 91 81.828 -2.104 -15.775 1.00 6.87 N ATOM 1460 NH2 ARG A 91 82.865 -4.092 -15.498 1.00 6.83 N ATOM 0 H ARG A 91 79.637 -4.256 -18.964 1.00 1.61 H new ATOM 0 HA ARG A 91 80.436 -2.352 -21.186 1.00 1.99 H new ATOM 0 HB2 ARG A 91 82.051 -3.971 -19.125 1.00 3.06 H new ATOM 0 HB3 ARG A 91 82.766 -3.055 -20.436 1.00 3.06 H new ATOM 0 HG2 ARG A 91 81.647 -0.962 -19.528 1.00 3.64 H new ATOM 0 HG3 ARG A 91 81.055 -1.903 -18.173 1.00 3.64 H new ATOM 0 HD2 ARG A 91 84.022 -1.545 -18.897 1.00 4.74 H new ATOM 0 HD3 ARG A 91 83.200 -0.727 -17.582 1.00 4.74 H new ATOM 0 HE ARG A 91 84.015 -3.583 -17.616 1.00 5.48 H new ATOM 0 HH11 ARG A 91 81.674 -1.252 -16.315 1.00 6.87 H new ATOM 0 HH12 ARG A 91 81.319 -2.255 -14.904 1.00 6.87 H new ATOM 0 HH21 ARG A 91 83.524 -4.803 -15.816 1.00 6.83 H new ATOM 0 HH22 ARG A 91 82.348 -4.228 -14.629 1.00 6.83 H new ATOM 1474 N ASN A 92 81.022 -4.226 -22.732 1.00 3.10 N ATOM 1475 CA ASN A 92 81.109 -5.366 -23.701 1.00 4.24 C ATOM 1476 C ASN A 92 82.157 -6.378 -23.231 1.00 4.85 C ATOM 1477 O ASN A 92 83.329 -6.038 -23.245 1.00 5.20 O ATOM 1478 CB ASN A 92 81.531 -4.740 -25.033 1.00 4.82 C ATOM 1479 CG ASN A 92 81.310 -5.747 -26.163 1.00 5.68 C ATOM 1480 OD1 ASN A 92 80.193 -6.145 -26.430 1.00 5.95 O ATOM 1481 ND2 ASN A 92 82.337 -6.181 -26.842 1.00 6.47 N ATOM 1482 OXT ASN A 92 81.770 -7.476 -22.865 1.00 5.35 O ATOM 0 H ASN A 92 81.251 -3.311 -23.121 1.00 3.10 H new ATOM 0 HA ASN A 92 80.162 -5.899 -23.789 1.00 4.24 H new ATOM 0 HB2 ASN A 92 80.954 -3.835 -25.220 1.00 4.82 H new ATOM 0 HB3 ASN A 92 82.580 -4.447 -24.993 1.00 4.82 H new ATOM 0 HD21 ASN A 92 82.202 -6.854 -27.596 1.00 6.47 H new ATOM 0 HD22 ASN A 92 83.274 -5.847 -26.618 1.00 6.47 H new TER 1489 ASN A 92