USER MOD reduce.3.24.130724 H: found=0, std=0, add=663, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 664 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 5 THR OG1 : rot -24:sc= 0.185 USER MOD Single : A 8 SER OG : rot 152:sc= 0.0239 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.0245 USER MOD Single : A 12 SER OG : rot 180:sc= 0.0747 USER MOD Single : A 13 SER OG : rot 180:sc= -0.0886 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HE2:sc= 0.00666 K(o=0.0067,f=-0.72) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0297 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -8.3! C(o=-8.3!,f=-4.7!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 THR OG1 : rot 32:sc= -2.24! USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -0.299 X(o=-0.3,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ -128:sc= 0.35 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 18:sc= -1.54 USER MOD Single : A 64 THR OG1 : rot 59:sc= 1.23 USER MOD Single : A 66 GLN : amide:sc= -0.0802 X(o=-0.08,f=-0.4) USER MOD Single : A 69 CYS SG : rot 101:sc= -1.55 USER MOD Single : A 78 GLN : amide:sc= 0 K(o=0,f=-1.8!) USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=-0.037) USER MOD Single : A 80 THR OG1 : rot -116:sc= 1.15 USER MOD Single : A 81 GLN : amide:sc= -0.316 K(o=-0.32,f=-2.7!) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HD1:sc= -0.374 X(o=-0.37,f=-0.26) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 5 -14.811 26.647 -2.351 1.00 0.00 N ATOM 2 CA THR A 5 -14.666 25.287 -1.847 1.00 0.00 C ATOM 3 C THR A 5 -13.582 25.215 -0.777 1.00 0.00 C ATOM 4 O THR A 5 -13.670 24.414 0.154 1.00 0.00 O ATOM 5 CB THR A 5 -14.333 24.325 -2.991 1.00 0.00 C ATOM 6 OG1 THR A 5 -13.257 24.820 -3.770 1.00 0.00 O ATOM 7 CG2 THR A 5 -15.503 24.074 -3.920 1.00 0.00 C ATOM 0 HA THR A 5 -15.615 24.992 -1.399 1.00 0.00 H new ATOM 0 HB THR A 5 -14.066 23.384 -2.509 1.00 0.00 H new ATOM 0 HG1 THR A 5 -13.207 25.794 -3.677 1.00 0.00 H new ATOM 0 HG21 THR A 5 -15.200 23.384 -4.708 1.00 0.00 H new ATOM 0 HG22 THR A 5 -16.329 23.641 -3.356 1.00 0.00 H new ATOM 0 HG23 THR A 5 -15.823 25.016 -4.365 1.00 0.00 H new ATOM 15 N GLY A 6 -12.562 26.056 -0.913 1.00 0.00 N ATOM 16 CA GLY A 6 -11.478 26.068 0.052 1.00 0.00 C ATOM 17 C GLY A 6 -10.260 25.307 -0.432 1.00 0.00 C ATOM 18 O GLY A 6 -9.493 24.775 0.369 1.00 0.00 O ATOM 0 H GLY A 6 -12.467 26.729 -1.674 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -11.197 27.099 0.265 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -11.825 25.633 0.989 1.00 0.00 H new ATOM 22 N ILE A 7 -10.082 25.256 -1.748 1.00 0.00 N ATOM 23 CA ILE A 7 -8.949 24.555 -2.340 1.00 0.00 C ATOM 24 C ILE A 7 -7.736 25.473 -2.456 1.00 0.00 C ATOM 25 O ILE A 7 -7.866 26.650 -2.793 1.00 0.00 O ATOM 26 CB ILE A 7 -9.303 23.995 -3.734 1.00 0.00 C ATOM 27 CG1 ILE A 7 -8.160 23.133 -4.275 1.00 0.00 C ATOM 28 CG2 ILE A 7 -9.620 25.129 -4.700 1.00 0.00 C ATOM 29 CD1 ILE A 7 -8.323 21.658 -3.978 1.00 0.00 C ATOM 0 H ILE A 7 -10.708 25.692 -2.425 1.00 0.00 H new ATOM 0 HA ILE A 7 -8.705 23.724 -1.678 1.00 0.00 H new ATOM 0 HB ILE A 7 -10.189 23.367 -3.636 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -8.090 23.273 -5.354 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -7.220 23.480 -3.847 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -9.867 24.716 -5.678 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -10.467 25.702 -4.323 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -8.752 25.782 -4.791 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -7.477 21.108 -4.391 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -8.363 21.506 -2.899 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -9.246 21.296 -4.430 1.00 0.00 H new ATOM 41 N SER A 8 -6.556 24.926 -2.177 1.00 0.00 N ATOM 42 CA SER A 8 -5.317 25.695 -2.249 1.00 0.00 C ATOM 43 C SER A 8 -5.177 26.379 -3.606 1.00 0.00 C ATOM 44 O SER A 8 -5.249 25.731 -4.651 1.00 0.00 O ATOM 45 CB SER A 8 -4.114 24.786 -1.995 1.00 0.00 C ATOM 46 OG SER A 8 -3.978 23.820 -3.024 1.00 0.00 O ATOM 0 H SER A 8 -6.432 23.953 -1.899 1.00 0.00 H new ATOM 0 HA SER A 8 -5.351 26.465 -1.478 1.00 0.00 H new ATOM 0 HB2 SER A 8 -3.207 25.387 -1.934 1.00 0.00 H new ATOM 0 HB3 SER A 8 -4.230 24.285 -1.034 1.00 0.00 H new ATOM 0 HG SER A 8 -3.035 23.568 -3.113 1.00 0.00 H new ATOM 52 N ARG A 9 -4.977 27.693 -3.583 1.00 0.00 N ATOM 53 CA ARG A 9 -4.829 28.466 -4.812 1.00 0.00 C ATOM 54 C ARG A 9 -3.407 28.370 -5.353 1.00 0.00 C ATOM 55 O ARG A 9 -2.489 29.010 -4.838 1.00 0.00 O ATOM 56 CB ARG A 9 -5.200 29.932 -4.569 1.00 0.00 C ATOM 57 CG ARG A 9 -4.528 30.545 -3.351 1.00 0.00 C ATOM 58 CD ARG A 9 -4.856 32.022 -3.219 1.00 0.00 C ATOM 59 NE ARG A 9 -5.956 32.256 -2.288 1.00 0.00 N ATOM 60 CZ ARG A 9 -5.827 32.211 -0.964 1.00 0.00 C ATOM 61 NH1 ARG A 9 -4.646 31.948 -0.413 1.00 0.00 N ATOM 62 NH2 ARG A 9 -6.880 32.429 -0.188 1.00 0.00 N ATOM 0 H ARG A 9 -4.914 28.245 -2.728 1.00 0.00 H new ATOM 0 HA ARG A 9 -5.507 28.047 -5.555 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -4.933 30.515 -5.451 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -6.281 30.008 -4.452 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -4.850 30.018 -2.453 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -3.448 30.416 -3.426 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -3.972 32.561 -2.879 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -5.117 32.424 -4.198 1.00 0.00 H new ATOM 0 HE ARG A 9 -6.876 32.466 -2.674 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -3.833 31.779 -1.005 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -4.553 31.915 0.602 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -7.788 32.631 -0.606 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -6.782 32.395 0.827 1.00 0.00 H new ATOM 76 N GLU A 10 -3.230 27.568 -6.397 1.00 0.00 N ATOM 77 CA GLU A 10 -1.921 27.386 -7.012 1.00 0.00 C ATOM 78 C GLU A 10 -1.986 27.652 -8.513 1.00 0.00 C ATOM 79 O GLU A 10 -3.064 27.860 -9.069 1.00 0.00 O ATOM 80 CB GLU A 10 -1.406 25.969 -6.754 1.00 0.00 C ATOM 81 CG GLU A 10 -1.484 25.550 -5.294 1.00 0.00 C ATOM 82 CD GLU A 10 -2.065 24.161 -5.116 1.00 0.00 C ATOM 83 OE1 GLU A 10 -2.959 23.785 -5.902 1.00 0.00 O ATOM 84 OE2 GLU A 10 -1.626 23.448 -4.189 1.00 0.00 O ATOM 0 H GLU A 10 -3.979 27.032 -6.836 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.232 28.102 -6.563 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.982 25.267 -7.356 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.371 25.901 -7.088 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -0.486 25.581 -4.857 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.094 26.268 -4.746 1.00 0.00 H new ATOM 91 N THR A 11 -0.826 27.644 -9.165 1.00 0.00 N ATOM 92 CA THR A 11 -0.755 27.885 -10.604 1.00 0.00 C ATOM 93 C THR A 11 -1.697 26.952 -11.359 1.00 0.00 C ATOM 94 O THR A 11 -2.135 25.934 -10.824 1.00 0.00 O ATOM 95 CB THR A 11 0.679 27.697 -11.104 1.00 0.00 C ATOM 96 OG1 THR A 11 1.604 28.275 -10.199 1.00 0.00 O ATOM 97 CG2 THR A 11 0.923 28.310 -12.465 1.00 0.00 C ATOM 0 H THR A 11 0.076 27.474 -8.721 1.00 0.00 H new ATOM 0 HA THR A 11 -1.065 28.913 -10.791 1.00 0.00 H new ATOM 0 HB THR A 11 0.821 26.619 -11.179 1.00 0.00 H new ATOM 0 HG1 THR A 11 2.515 28.144 -10.534 1.00 0.00 H new ATOM 0 HG21 THR A 11 1.959 28.141 -12.760 1.00 0.00 H new ATOM 0 HG22 THR A 11 0.258 27.850 -13.196 1.00 0.00 H new ATOM 0 HG23 THR A 11 0.729 29.382 -12.422 1.00 0.00 H new ATOM 105 N SER A 12 -2.007 27.306 -12.603 1.00 0.00 N ATOM 106 CA SER A 12 -2.901 26.494 -13.420 1.00 0.00 C ATOM 107 C SER A 12 -2.226 25.194 -13.839 1.00 0.00 C ATOM 108 O SER A 12 -1.651 25.100 -14.924 1.00 0.00 O ATOM 109 CB SER A 12 -3.344 27.275 -14.658 1.00 0.00 C ATOM 110 OG SER A 12 -2.311 28.128 -15.120 1.00 0.00 O ATOM 0 H SER A 12 -1.654 28.145 -13.064 1.00 0.00 H new ATOM 0 HA SER A 12 -3.778 26.249 -12.820 1.00 0.00 H new ATOM 0 HB2 SER A 12 -3.626 26.580 -15.449 1.00 0.00 H new ATOM 0 HB3 SER A 12 -4.229 27.866 -14.422 1.00 0.00 H new ATOM 0 HG SER A 12 -2.619 28.615 -15.913 1.00 0.00 H new ATOM 116 N SER A 13 -2.306 24.190 -12.973 1.00 0.00 N ATOM 117 CA SER A 13 -1.712 22.887 -13.246 1.00 0.00 C ATOM 118 C SER A 13 -2.758 21.785 -13.115 1.00 0.00 C ATOM 119 O SER A 13 -3.823 21.997 -12.538 1.00 0.00 O ATOM 120 CB SER A 13 -0.548 22.621 -12.289 1.00 0.00 C ATOM 121 OG SER A 13 0.076 21.381 -12.577 1.00 0.00 O ATOM 0 H SER A 13 -2.779 24.255 -12.072 1.00 0.00 H new ATOM 0 HA SER A 13 -1.334 22.890 -14.268 1.00 0.00 H new ATOM 0 HB2 SER A 13 0.183 23.426 -12.367 1.00 0.00 H new ATOM 0 HB3 SER A 13 -0.911 22.619 -11.261 1.00 0.00 H new ATOM 0 HG SER A 13 0.817 21.235 -11.953 1.00 0.00 H new ATOM 127 N ASP A 14 -2.448 20.603 -13.644 1.00 0.00 N ATOM 128 CA ASP A 14 -3.368 19.478 -13.566 1.00 0.00 C ATOM 129 C ASP A 14 -2.895 18.477 -12.519 1.00 0.00 C ATOM 130 O ASP A 14 -2.048 17.627 -12.791 1.00 0.00 O ATOM 131 CB ASP A 14 -3.488 18.795 -14.928 1.00 0.00 C ATOM 132 CG ASP A 14 -4.796 18.045 -15.085 1.00 0.00 C ATOM 133 OD1 ASP A 14 -5.111 17.209 -14.213 1.00 0.00 O ATOM 134 OD2 ASP A 14 -5.507 18.294 -16.082 1.00 0.00 O ATOM 0 H ASP A 14 -1.572 20.403 -14.127 1.00 0.00 H new ATOM 0 HA ASP A 14 -4.349 19.853 -13.274 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -3.405 19.544 -15.716 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -2.657 18.102 -15.058 1.00 0.00 H new ATOM 139 N VAL A 15 -3.457 18.588 -11.323 1.00 0.00 N ATOM 140 CA VAL A 15 -3.107 17.699 -10.220 1.00 0.00 C ATOM 141 C VAL A 15 -4.209 17.662 -9.179 1.00 0.00 C ATOM 142 O VAL A 15 -4.427 18.640 -8.465 1.00 0.00 O ATOM 143 CB VAL A 15 -1.796 18.125 -9.527 1.00 0.00 C ATOM 144 CG1 VAL A 15 -0.607 17.399 -10.138 1.00 0.00 C ATOM 145 CG2 VAL A 15 -1.606 19.635 -9.603 1.00 0.00 C ATOM 0 H VAL A 15 -4.161 19.288 -11.090 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.973 16.709 -10.657 1.00 0.00 H new ATOM 0 HB VAL A 15 -1.862 17.847 -8.475 1.00 0.00 H new ATOM 0 HG11 VAL A 15 0.308 17.713 -9.636 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.736 16.323 -10.018 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -0.540 17.640 -11.199 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -0.675 19.910 -9.107 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -1.566 19.945 -10.647 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -2.441 20.132 -9.109 1.00 0.00 H new ATOM 155 N ALA A 16 -4.894 16.530 -9.071 1.00 0.00 N ATOM 156 CA ALA A 16 -5.945 16.413 -8.085 1.00 0.00 C ATOM 157 C ALA A 16 -5.384 15.842 -6.794 1.00 0.00 C ATOM 158 O ALA A 16 -5.283 14.627 -6.618 1.00 0.00 O ATOM 159 CB ALA A 16 -7.075 15.540 -8.612 1.00 0.00 C ATOM 0 H ALA A 16 -4.741 15.700 -9.644 1.00 0.00 H new ATOM 0 HA ALA A 16 -6.349 17.405 -7.881 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -7.857 15.463 -7.857 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -7.487 15.986 -9.517 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -6.691 14.546 -8.839 1.00 0.00 H new ATOM 165 N LEU A 17 -5.035 16.744 -5.891 1.00 0.00 N ATOM 166 CA LEU A 17 -4.493 16.373 -4.589 1.00 0.00 C ATOM 167 C LEU A 17 -4.557 17.559 -3.629 1.00 0.00 C ATOM 168 O LEU A 17 -3.679 18.421 -3.633 1.00 0.00 O ATOM 169 CB LEU A 17 -3.047 15.862 -4.707 1.00 0.00 C ATOM 170 CG LEU A 17 -2.298 16.247 -5.987 1.00 0.00 C ATOM 171 CD1 LEU A 17 -1.499 17.523 -5.776 1.00 0.00 C ATOM 172 CD2 LEU A 17 -1.382 15.112 -6.427 1.00 0.00 C ATOM 0 H LEU A 17 -5.118 17.750 -6.036 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.104 15.562 -4.193 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.481 16.234 -3.853 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.060 14.775 -4.631 1.00 0.00 H new ATOM 0 HG LEU A 17 -3.030 16.427 -6.774 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.974 17.780 -6.696 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.174 18.334 -5.505 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.775 17.371 -4.976 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.857 15.400 -7.338 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.657 14.904 -5.640 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.976 14.218 -6.618 1.00 0.00 H new ATOM 184 N ALA A 18 -5.605 17.597 -2.811 1.00 0.00 N ATOM 185 CA ALA A 18 -5.789 18.680 -1.851 1.00 0.00 C ATOM 186 C ALA A 18 -4.566 18.846 -0.954 1.00 0.00 C ATOM 187 O ALA A 18 -3.823 17.894 -0.719 1.00 0.00 O ATOM 188 CB ALA A 18 -7.030 18.430 -1.005 1.00 0.00 C ATOM 0 H ALA A 18 -6.340 16.890 -2.794 1.00 0.00 H new ATOM 0 HA ALA A 18 -5.920 19.604 -2.414 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -7.155 19.246 -0.293 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -7.906 18.375 -1.651 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.918 17.490 -0.464 1.00 0.00 H new ATOM 194 N SER A 19 -4.366 20.064 -0.456 1.00 0.00 N ATOM 195 CA SER A 19 -3.233 20.360 0.417 1.00 0.00 C ATOM 196 C SER A 19 -3.219 19.430 1.625 1.00 0.00 C ATOM 197 O SER A 19 -2.156 19.041 2.111 1.00 0.00 O ATOM 198 CB SER A 19 -3.290 21.818 0.882 1.00 0.00 C ATOM 199 OG SER A 19 -1.990 22.329 1.121 1.00 0.00 O ATOM 0 H SER A 19 -4.974 20.862 -0.642 1.00 0.00 H new ATOM 0 HA SER A 19 -2.317 20.201 -0.151 1.00 0.00 H new ATOM 0 HB2 SER A 19 -3.789 22.425 0.126 1.00 0.00 H new ATOM 0 HB3 SER A 19 -3.885 21.890 1.792 1.00 0.00 H new ATOM 0 HG SER A 19 -2.054 23.262 1.415 1.00 0.00 H new ATOM 205 N HIS A 20 -4.407 19.071 2.103 1.00 0.00 N ATOM 206 CA HIS A 20 -4.536 18.179 3.252 1.00 0.00 C ATOM 207 C HIS A 20 -3.726 16.904 3.041 1.00 0.00 C ATOM 208 O HIS A 20 -3.217 16.312 3.994 1.00 0.00 O ATOM 209 CB HIS A 20 -6.008 17.832 3.488 1.00 0.00 C ATOM 210 CG HIS A 20 -6.309 17.428 4.898 1.00 0.00 C ATOM 211 ND1 HIS A 20 -5.332 17.194 5.840 1.00 0.00 N ATOM 212 CD2 HIS A 20 -7.491 17.220 5.526 1.00 0.00 C ATOM 213 CE1 HIS A 20 -5.897 16.856 6.985 1.00 0.00 C ATOM 214 NE2 HIS A 20 -7.207 16.867 6.821 1.00 0.00 N ATOM 0 H HIS A 20 -5.295 19.384 1.712 1.00 0.00 H new ATOM 0 HA HIS A 20 -4.146 18.694 4.130 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -6.622 18.694 3.227 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -6.294 17.021 2.818 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -4.328 17.270 5.678 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -8.474 17.314 5.089 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -5.376 16.612 7.899 1.00 0.00 H new ATOM 223 N ILE A 21 -3.596 16.500 1.782 1.00 0.00 N ATOM 224 CA ILE A 21 -2.830 15.310 1.435 1.00 0.00 C ATOM 225 C ILE A 21 -1.338 15.623 1.403 1.00 0.00 C ATOM 226 O ILE A 21 -0.505 14.768 1.709 1.00 0.00 O ATOM 227 CB ILE A 21 -3.261 14.739 0.070 1.00 0.00 C ATOM 228 CG1 ILE A 21 -4.779 14.543 0.028 1.00 0.00 C ATOM 229 CG2 ILE A 21 -2.544 13.424 -0.207 1.00 0.00 C ATOM 230 CD1 ILE A 21 -5.431 15.132 -1.204 1.00 0.00 C ATOM 0 H ILE A 21 -4.012 16.980 0.984 1.00 0.00 H new ATOM 0 HA ILE A 21 -3.029 14.562 2.203 1.00 0.00 H new ATOM 0 HB ILE A 21 -2.984 15.452 -0.707 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -5.001 13.477 0.072 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -5.220 14.997 0.915 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -2.860 13.034 -1.175 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -1.467 13.592 -0.217 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -2.791 12.703 0.573 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -6.506 14.956 -1.166 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -5.240 16.205 -1.239 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -5.017 14.660 -2.095 1.00 0.00 H new ATOM 242 N LEU A 22 -1.010 16.855 1.025 1.00 0.00 N ATOM 243 CA LEU A 22 0.379 17.293 0.941 1.00 0.00 C ATOM 244 C LEU A 22 1.000 17.443 2.327 1.00 0.00 C ATOM 245 O LEU A 22 2.194 17.208 2.506 1.00 0.00 O ATOM 246 CB LEU A 22 0.472 18.617 0.182 1.00 0.00 C ATOM 247 CG LEU A 22 0.915 18.496 -1.279 1.00 0.00 C ATOM 248 CD1 LEU A 22 0.004 19.313 -2.185 1.00 0.00 C ATOM 249 CD2 LEU A 22 2.361 18.939 -1.436 1.00 0.00 C ATOM 0 H LEU A 22 -1.691 17.571 0.771 1.00 0.00 H new ATOM 0 HA LEU A 22 0.937 16.528 0.400 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.503 19.104 0.211 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.171 19.270 0.705 1.00 0.00 H new ATOM 0 HG LEU A 22 0.842 17.449 -1.574 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.335 19.214 -3.219 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.020 18.949 -2.095 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.043 20.362 -1.890 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.659 18.846 -2.480 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.459 19.978 -1.122 1.00 0.00 H new ATOM 0 HD23 LEU A 22 3.003 18.311 -0.819 1.00 0.00 H new ATOM 261 N THR A 23 0.189 17.831 3.306 1.00 0.00 N ATOM 262 CA THR A 23 0.680 17.999 4.670 1.00 0.00 C ATOM 263 C THR A 23 1.171 16.665 5.216 1.00 0.00 C ATOM 264 O THR A 23 2.290 16.556 5.717 1.00 0.00 O ATOM 265 CB THR A 23 -0.424 18.561 5.567 1.00 0.00 C ATOM 266 OG1 THR A 23 -1.310 19.375 4.821 1.00 0.00 O ATOM 267 CG2 THR A 23 0.104 19.393 6.716 1.00 0.00 C ATOM 0 H THR A 23 -0.803 18.034 3.183 1.00 0.00 H new ATOM 0 HA THR A 23 1.511 18.704 4.658 1.00 0.00 H new ATOM 0 HB THR A 23 -0.936 17.689 5.975 1.00 0.00 H new ATOM 0 HG1 THR A 23 -2.010 19.724 5.412 1.00 0.00 H new ATOM 0 HG21 THR A 23 -0.731 19.761 7.313 1.00 0.00 H new ATOM 0 HG22 THR A 23 0.754 18.780 7.341 1.00 0.00 H new ATOM 0 HG23 THR A 23 0.670 20.238 6.323 1.00 0.00 H new ATOM 275 N ALA A 24 0.328 15.646 5.088 1.00 0.00 N ATOM 276 CA ALA A 24 0.664 14.308 5.534 1.00 0.00 C ATOM 277 C ALA A 24 1.753 13.716 4.653 1.00 0.00 C ATOM 278 O ALA A 24 2.552 12.900 5.108 1.00 0.00 O ATOM 279 CB ALA A 24 -0.569 13.417 5.526 1.00 0.00 C ATOM 0 H ALA A 24 -0.601 15.728 4.674 1.00 0.00 H new ATOM 0 HA ALA A 24 1.038 14.368 6.556 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.297 12.417 5.864 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -1.323 13.833 6.194 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.971 13.362 4.514 1.00 0.00 H new ATOM 285 N LEU A 25 1.800 14.147 3.391 1.00 0.00 N ATOM 286 CA LEU A 25 2.808 13.666 2.460 1.00 0.00 C ATOM 287 C LEU A 25 4.173 14.197 2.858 1.00 0.00 C ATOM 288 O LEU A 25 5.147 13.452 2.937 1.00 0.00 O ATOM 289 CB LEU A 25 2.472 14.116 1.035 1.00 0.00 C ATOM 290 CG LEU A 25 2.102 12.993 0.064 1.00 0.00 C ATOM 291 CD1 LEU A 25 1.823 13.559 -1.319 1.00 0.00 C ATOM 292 CD2 LEU A 25 3.207 11.944 0.003 1.00 0.00 C ATOM 0 H LEU A 25 1.151 14.827 2.996 1.00 0.00 H new ATOM 0 HA LEU A 25 2.823 12.577 2.491 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.643 14.822 1.081 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.328 14.656 0.631 1.00 0.00 H new ATOM 0 HG LEU A 25 1.196 12.509 0.429 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.561 12.748 -1.998 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.995 14.266 -1.263 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.712 14.070 -1.689 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.922 11.155 -0.693 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.133 12.410 -0.335 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.357 11.516 0.994 1.00 0.00 H new ATOM 304 N ARG A 26 4.225 15.497 3.108 1.00 0.00 N ATOM 305 CA ARG A 26 5.443 16.155 3.497 1.00 0.00 C ATOM 306 C ARG A 26 5.868 15.727 4.896 1.00 0.00 C ATOM 307 O ARG A 26 6.997 15.984 5.306 1.00 0.00 O ATOM 308 CB ARG A 26 5.253 17.672 3.458 1.00 0.00 C ATOM 309 CG ARG A 26 6.555 18.452 3.553 1.00 0.00 C ATOM 310 CD ARG A 26 6.546 19.671 2.644 1.00 0.00 C ATOM 311 NE ARG A 26 6.804 20.905 3.382 1.00 0.00 N ATOM 312 CZ ARG A 26 6.527 22.120 2.914 1.00 0.00 C ATOM 313 NH1 ARG A 26 5.986 22.267 1.711 1.00 0.00 N ATOM 314 NH2 ARG A 26 6.792 23.190 3.652 1.00 0.00 N ATOM 0 H ARG A 26 3.418 16.117 3.044 1.00 0.00 H new ATOM 0 HA ARG A 26 6.225 15.869 2.794 1.00 0.00 H new ATOM 0 HB2 ARG A 26 4.744 17.942 2.533 1.00 0.00 H new ATOM 0 HB3 ARG A 26 4.601 17.969 4.279 1.00 0.00 H new ATOM 0 HG2 ARG A 26 6.716 18.768 4.584 1.00 0.00 H new ATOM 0 HG3 ARG A 26 7.389 17.803 3.284 1.00 0.00 H new ATOM 0 HD2 ARG A 26 7.300 19.549 1.866 1.00 0.00 H new ATOM 0 HD3 ARG A 26 5.580 19.743 2.143 1.00 0.00 H new ATOM 0 HE ARG A 26 7.221 20.831 4.310 1.00 0.00 H new ATOM 0 HH11 ARG A 26 5.781 21.447 1.141 1.00 0.00 H new ATOM 0 HH12 ARG A 26 5.776 23.200 1.357 1.00 0.00 H new ATOM 0 HH21 ARG A 26 7.208 23.081 4.577 1.00 0.00 H new ATOM 0 HH22 ARG A 26 6.580 24.121 3.294 1.00 0.00 H new ATOM 328 N GLU A 27 4.962 15.111 5.662 1.00 0.00 N ATOM 329 CA GLU A 27 5.294 14.715 7.024 1.00 0.00 C ATOM 330 C GLU A 27 5.110 13.217 7.296 1.00 0.00 C ATOM 331 O GLU A 27 6.094 12.487 7.410 1.00 0.00 O ATOM 332 CB GLU A 27 4.452 15.520 8.017 1.00 0.00 C ATOM 333 CG GLU A 27 5.055 16.870 8.371 1.00 0.00 C ATOM 334 CD GLU A 27 6.264 16.749 9.279 1.00 0.00 C ATOM 335 OE1 GLU A 27 7.387 16.589 8.755 1.00 0.00 O ATOM 336 OE2 GLU A 27 6.088 16.818 10.514 1.00 0.00 O ATOM 0 H GLU A 27 4.013 14.882 5.366 1.00 0.00 H new ATOM 0 HA GLU A 27 6.355 14.927 7.153 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.458 15.674 7.597 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.325 14.937 8.929 1.00 0.00 H new ATOM 0 HG2 GLU A 27 5.343 17.386 7.455 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.299 17.485 8.859 1.00 0.00 H new ATOM 343 N LYS A 28 3.858 12.758 7.456 1.00 0.00 N ATOM 344 CA LYS A 28 3.627 11.341 7.779 1.00 0.00 C ATOM 345 C LYS A 28 2.590 10.636 6.896 1.00 0.00 C ATOM 346 O LYS A 28 1.556 10.182 7.387 1.00 0.00 O ATOM 347 CB LYS A 28 3.233 11.205 9.253 1.00 0.00 C ATOM 348 CG LYS A 28 4.087 10.202 10.015 1.00 0.00 C ATOM 349 CD LYS A 28 5.571 10.521 9.891 1.00 0.00 C ATOM 350 CE LYS A 28 6.320 9.436 9.132 1.00 0.00 C ATOM 351 NZ LYS A 28 7.730 9.306 9.598 1.00 0.00 N ATOM 0 H LYS A 28 3.015 13.326 7.371 1.00 0.00 H new ATOM 0 HA LYS A 28 4.572 10.837 7.576 1.00 0.00 H new ATOM 0 HB2 LYS A 28 3.313 12.180 9.735 1.00 0.00 H new ATOM 0 HB3 LYS A 28 2.187 10.903 9.316 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.800 10.204 11.067 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.897 9.198 9.635 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.696 11.475 9.379 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.003 10.633 10.885 1.00 0.00 H new ATOM 0 HE2 LYS A 28 5.806 8.483 9.259 1.00 0.00 H new ATOM 0 HE3 LYS A 28 6.309 9.665 8.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 8.207 8.557 9.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 8.228 10.208 9.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 7.740 9.063 10.609 1.00 0.00 H new ATOM 365 N GLN A 29 2.881 10.501 5.612 1.00 0.00 N ATOM 366 CA GLN A 29 1.981 9.797 4.697 1.00 0.00 C ATOM 367 C GLN A 29 2.327 8.315 4.676 1.00 0.00 C ATOM 368 O GLN A 29 3.441 7.966 4.289 1.00 0.00 O ATOM 369 CB GLN A 29 2.120 10.358 3.285 1.00 0.00 C ATOM 370 CG GLN A 29 3.536 10.235 2.733 1.00 0.00 C ATOM 371 CD GLN A 29 3.679 9.112 1.723 1.00 0.00 C ATOM 372 OE1 GLN A 29 2.826 8.928 0.856 1.00 0.00 O ATOM 373 NE2 GLN A 29 4.757 8.342 1.841 1.00 0.00 N ATOM 0 H GLN A 29 3.728 10.866 5.176 1.00 0.00 H new ATOM 0 HA GLN A 29 0.956 9.934 5.042 1.00 0.00 H new ATOM 0 HB2 GLN A 29 1.431 9.835 2.622 1.00 0.00 H new ATOM 0 HB3 GLN A 29 1.826 11.408 3.286 1.00 0.00 H new ATOM 0 HG2 GLN A 29 3.821 11.177 2.265 1.00 0.00 H new ATOM 0 HG3 GLN A 29 4.229 10.066 3.557 1.00 0.00 H new ATOM 0 HE21 GLN A 29 5.440 8.530 2.575 1.00 0.00 H new ATOM 0 HE22 GLN A 29 4.901 7.564 1.198 1.00 0.00 H new ATOM 382 N ALA A 30 1.431 7.434 5.133 1.00 0.00 N ATOM 383 CA ALA A 30 1.746 6.015 5.169 1.00 0.00 C ATOM 384 C ALA A 30 1.199 5.239 3.974 1.00 0.00 C ATOM 385 O ALA A 30 0.171 4.570 4.078 1.00 0.00 O ATOM 386 CB ALA A 30 1.223 5.393 6.448 1.00 0.00 C ATOM 0 H ALA A 30 0.502 7.678 5.475 1.00 0.00 H new ATOM 0 HA ALA A 30 2.833 5.948 5.126 1.00 0.00 H new ATOM 0 HB1 ALA A 30 1.466 4.330 6.462 1.00 0.00 H new ATOM 0 HB2 ALA A 30 1.685 5.882 7.306 1.00 0.00 H new ATOM 0 HB3 ALA A 30 0.141 5.519 6.498 1.00 0.00 H new ATOM 392 N PRO A 31 1.913 5.261 2.842 1.00 0.00 N ATOM 393 CA PRO A 31 1.550 4.507 1.653 1.00 0.00 C ATOM 394 C PRO A 31 1.742 3.022 1.900 1.00 0.00 C ATOM 395 O PRO A 31 2.164 2.293 1.004 1.00 0.00 O ATOM 396 CB PRO A 31 2.500 5.011 0.572 1.00 0.00 C ATOM 397 CG PRO A 31 3.685 5.494 1.311 1.00 0.00 C ATOM 398 CD PRO A 31 3.183 5.984 2.645 1.00 0.00 C ATOM 0 HA PRO A 31 0.506 4.642 1.369 1.00 0.00 H new ATOM 0 HB2 PRO A 31 2.765 4.216 -0.125 1.00 0.00 H new ATOM 0 HB3 PRO A 31 2.046 5.810 -0.014 1.00 0.00 H new ATOM 0 HG2 PRO A 31 4.415 4.695 1.440 1.00 0.00 H new ATOM 0 HG3 PRO A 31 4.183 6.295 0.765 1.00 0.00 H new ATOM 0 HD2 PRO A 31 3.893 5.766 3.442 1.00 0.00 H new ATOM 0 HD3 PRO A 31 3.030 7.063 2.641 1.00 0.00 H new ATOM 406 N GLU A 32 1.369 2.549 3.095 1.00 0.00 N ATOM 407 CA GLU A 32 1.435 1.138 3.407 1.00 0.00 C ATOM 408 C GLU A 32 0.025 0.592 3.563 1.00 0.00 C ATOM 409 O GLU A 32 -0.511 -0.082 2.685 1.00 0.00 O ATOM 410 CB GLU A 32 2.253 0.903 4.683 1.00 0.00 C ATOM 411 CG GLU A 32 2.252 2.076 5.656 1.00 0.00 C ATOM 412 CD GLU A 32 2.174 1.632 7.104 1.00 0.00 C ATOM 413 OE1 GLU A 32 1.230 0.888 7.446 1.00 0.00 O ATOM 414 OE2 GLU A 32 3.055 2.029 7.895 1.00 0.00 O ATOM 0 H GLU A 32 1.020 3.133 3.855 1.00 0.00 H new ATOM 0 HA GLU A 32 1.934 0.613 2.592 1.00 0.00 H new ATOM 0 HB2 GLU A 32 1.862 0.023 5.194 1.00 0.00 H new ATOM 0 HB3 GLU A 32 3.283 0.679 4.404 1.00 0.00 H new ATOM 0 HG2 GLU A 32 3.157 2.666 5.509 1.00 0.00 H new ATOM 0 HG3 GLU A 32 1.407 2.727 5.433 1.00 0.00 H new ATOM 421 N LEU A 33 -0.575 0.938 4.696 1.00 0.00 N ATOM 422 CA LEU A 33 -1.936 0.548 5.015 1.00 0.00 C ATOM 423 C LEU A 33 -2.796 1.788 5.250 1.00 0.00 C ATOM 424 O LEU A 33 -4.023 1.729 5.166 1.00 0.00 O ATOM 425 CB LEU A 33 -1.958 -0.350 6.255 1.00 0.00 C ATOM 426 CG LEU A 33 -3.259 -1.127 6.473 1.00 0.00 C ATOM 427 CD1 LEU A 33 -3.148 -2.530 5.891 1.00 0.00 C ATOM 428 CD2 LEU A 33 -3.602 -1.187 7.953 1.00 0.00 C ATOM 0 H LEU A 33 -0.126 1.499 5.420 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.344 -0.011 4.173 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.136 -1.062 6.183 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.770 0.266 7.134 1.00 0.00 H new ATOM 0 HG LEU A 33 -4.063 -0.604 5.955 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.082 -3.067 6.056 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.950 -2.465 4.821 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.332 -3.063 6.379 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.530 -1.743 8.089 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.797 -1.686 8.493 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.725 -0.175 8.339 1.00 0.00 H new ATOM 440 N SER A 34 -2.143 2.913 5.569 1.00 0.00 N ATOM 441 CA SER A 34 -2.846 4.151 5.841 1.00 0.00 C ATOM 442 C SER A 34 -3.662 4.608 4.641 1.00 0.00 C ATOM 443 O SER A 34 -4.736 5.186 4.809 1.00 0.00 O ATOM 444 CB SER A 34 -1.857 5.246 6.244 1.00 0.00 C ATOM 445 OG SER A 34 -2.523 6.331 6.864 1.00 0.00 O ATOM 0 H SER A 34 -1.128 2.980 5.642 1.00 0.00 H new ATOM 0 HA SER A 34 -3.534 3.964 6.665 1.00 0.00 H new ATOM 0 HB2 SER A 34 -1.112 4.835 6.926 1.00 0.00 H new ATOM 0 HB3 SER A 34 -1.322 5.599 5.363 1.00 0.00 H new ATOM 0 HG SER A 34 -1.869 7.017 7.114 1.00 0.00 H new ATOM 451 N LEU A 35 -3.164 4.371 3.425 1.00 0.00 N ATOM 452 CA LEU A 35 -3.910 4.806 2.240 1.00 0.00 C ATOM 453 C LEU A 35 -4.550 3.632 1.513 1.00 0.00 C ATOM 454 O LEU A 35 -4.475 2.492 1.968 1.00 0.00 O ATOM 455 CB LEU A 35 -3.015 5.587 1.287 1.00 0.00 C ATOM 456 CG LEU A 35 -1.601 5.054 1.144 1.00 0.00 C ATOM 457 CD1 LEU A 35 -1.621 3.557 0.869 1.00 0.00 C ATOM 458 CD2 LEU A 35 -0.872 5.801 0.036 1.00 0.00 C ATOM 0 H LEU A 35 -2.280 3.898 3.236 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.708 5.461 2.589 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.483 5.599 0.303 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.963 6.621 1.628 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.066 5.217 2.080 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.599 3.192 0.769 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -2.112 3.042 1.695 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.167 3.364 -0.054 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.142 5.412 -0.059 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.403 5.664 -0.906 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.832 6.863 0.279 1.00 0.00 H new ATOM 470 N SER A 36 -5.190 3.920 0.378 1.00 0.00 N ATOM 471 CA SER A 36 -5.848 2.906 -0.410 1.00 0.00 C ATOM 472 C SER A 36 -5.051 2.608 -1.675 1.00 0.00 C ATOM 473 O SER A 36 -3.845 2.849 -1.742 1.00 0.00 O ATOM 474 CB SER A 36 -7.270 3.356 -0.761 1.00 0.00 C ATOM 475 OG SER A 36 -8.203 2.309 -0.556 1.00 0.00 O ATOM 0 H SER A 36 -5.260 4.861 -0.009 1.00 0.00 H new ATOM 0 HA SER A 36 -5.906 1.989 0.177 1.00 0.00 H new ATOM 0 HB2 SER A 36 -7.544 4.216 -0.150 1.00 0.00 H new ATOM 0 HB3 SER A 36 -7.306 3.680 -1.801 1.00 0.00 H new ATOM 0 HG SER A 36 -9.103 2.623 -0.786 1.00 0.00 H new ATOM 481 N SER A 37 -5.736 2.053 -2.658 1.00 0.00 N ATOM 482 CA SER A 37 -5.118 1.676 -3.924 1.00 0.00 C ATOM 483 C SER A 37 -4.715 2.879 -4.777 1.00 0.00 C ATOM 484 O SER A 37 -3.624 2.895 -5.344 1.00 0.00 O ATOM 485 CB SER A 37 -6.069 0.779 -4.719 1.00 0.00 C ATOM 486 OG SER A 37 -6.107 -0.530 -4.179 1.00 0.00 O ATOM 0 H SER A 37 -6.734 1.850 -2.605 1.00 0.00 H new ATOM 0 HA SER A 37 -4.202 1.138 -3.679 1.00 0.00 H new ATOM 0 HB2 SER A 37 -7.071 1.208 -4.711 1.00 0.00 H new ATOM 0 HB3 SER A 37 -5.749 0.737 -5.760 1.00 0.00 H new ATOM 0 HG SER A 37 -6.723 -1.083 -4.704 1.00 0.00 H new ATOM 492 N GLN A 38 -5.593 3.876 -4.896 1.00 0.00 N ATOM 493 CA GLN A 38 -5.297 5.050 -5.718 1.00 0.00 C ATOM 494 C GLN A 38 -4.334 6.015 -5.043 1.00 0.00 C ATOM 495 O GLN A 38 -3.542 6.675 -5.713 1.00 0.00 O ATOM 496 CB GLN A 38 -6.580 5.792 -6.069 1.00 0.00 C ATOM 497 CG GLN A 38 -7.423 5.089 -7.119 1.00 0.00 C ATOM 498 CD GLN A 38 -8.177 6.060 -8.006 1.00 0.00 C ATOM 499 OE1 GLN A 38 -9.394 6.201 -7.899 1.00 0.00 O ATOM 500 NE2 GLN A 38 -7.452 6.736 -8.891 1.00 0.00 N ATOM 0 H GLN A 38 -6.505 3.895 -4.439 1.00 0.00 H new ATOM 0 HA GLN A 38 -4.817 4.677 -6.623 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -7.174 5.920 -5.164 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -6.326 6.790 -6.428 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -6.779 4.463 -7.737 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -8.134 4.426 -6.625 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -6.444 6.587 -8.945 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -7.903 7.404 -9.516 1.00 0.00 H new ATOM 509 N ASP A 39 -4.403 6.113 -3.725 1.00 0.00 N ATOM 510 CA ASP A 39 -3.525 7.018 -2.996 1.00 0.00 C ATOM 511 C ASP A 39 -2.080 6.547 -3.102 1.00 0.00 C ATOM 512 O ASP A 39 -1.188 7.314 -3.467 1.00 0.00 O ATOM 513 CB ASP A 39 -3.958 7.115 -1.537 1.00 0.00 C ATOM 514 CG ASP A 39 -4.931 8.254 -1.302 1.00 0.00 C ATOM 515 OD1 ASP A 39 -4.471 9.398 -1.107 1.00 0.00 O ATOM 516 OD2 ASP A 39 -6.155 8.001 -1.315 1.00 0.00 O ATOM 0 H ASP A 39 -5.051 5.583 -3.142 1.00 0.00 H new ATOM 0 HA ASP A 39 -3.596 8.011 -3.439 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -4.421 6.176 -1.234 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.079 7.255 -0.908 1.00 0.00 H new ATOM 521 N LEU A 40 -1.859 5.273 -2.798 1.00 0.00 N ATOM 522 CA LEU A 40 -0.524 4.690 -2.879 1.00 0.00 C ATOM 523 C LEU A 40 -0.092 4.563 -4.340 1.00 0.00 C ATOM 524 O LEU A 40 1.098 4.594 -4.650 1.00 0.00 O ATOM 525 CB LEU A 40 -0.490 3.318 -2.205 1.00 0.00 C ATOM 526 CG LEU A 40 0.814 2.978 -1.471 1.00 0.00 C ATOM 527 CD1 LEU A 40 0.889 1.485 -1.203 1.00 0.00 C ATOM 528 CD2 LEU A 40 2.017 3.431 -2.285 1.00 0.00 C ATOM 0 H LEU A 40 -2.585 4.625 -2.494 1.00 0.00 H new ATOM 0 HA LEU A 40 0.169 5.350 -2.357 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.313 3.261 -1.493 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.670 2.555 -2.962 1.00 0.00 H new ATOM 0 HG LEU A 40 0.825 3.506 -0.518 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.818 1.255 -0.682 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.043 1.183 -0.586 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.860 0.944 -2.149 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.933 3.182 -1.750 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.013 2.927 -3.251 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.968 4.509 -2.438 1.00 0.00 H new ATOM 540 N GLU A 41 -1.070 4.414 -5.233 1.00 0.00 N ATOM 541 CA GLU A 41 -0.795 4.280 -6.661 1.00 0.00 C ATOM 542 C GLU A 41 -0.371 5.620 -7.262 1.00 0.00 C ATOM 543 O GLU A 41 0.688 5.728 -7.877 1.00 0.00 O ATOM 544 CB GLU A 41 -2.029 3.741 -7.392 1.00 0.00 C ATOM 545 CG GLU A 41 -1.865 3.675 -8.901 1.00 0.00 C ATOM 546 CD GLU A 41 -2.992 2.919 -9.577 1.00 0.00 C ATOM 547 OE1 GLU A 41 -4.155 3.360 -9.462 1.00 0.00 O ATOM 548 OE2 GLU A 41 -2.711 1.886 -10.220 1.00 0.00 O ATOM 0 H GLU A 41 -2.060 4.383 -4.991 1.00 0.00 H new ATOM 0 HA GLU A 41 0.026 3.573 -6.784 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.256 2.743 -7.016 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.885 4.373 -7.156 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.819 4.687 -9.302 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.916 3.195 -9.139 1.00 0.00 H new ATOM 555 N LEU A 42 -1.206 6.638 -7.083 1.00 0.00 N ATOM 556 CA LEU A 42 -0.911 7.966 -7.610 1.00 0.00 C ATOM 557 C LEU A 42 0.387 8.503 -7.019 1.00 0.00 C ATOM 558 O LEU A 42 1.148 9.197 -7.694 1.00 0.00 O ATOM 559 CB LEU A 42 -2.064 8.926 -7.305 1.00 0.00 C ATOM 560 CG LEU A 42 -2.425 9.885 -8.440 1.00 0.00 C ATOM 561 CD1 LEU A 42 -3.825 10.444 -8.239 1.00 0.00 C ATOM 562 CD2 LEU A 42 -1.407 11.011 -8.531 1.00 0.00 C ATOM 0 H LEU A 42 -2.090 6.570 -6.579 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.793 7.887 -8.691 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.947 8.340 -7.050 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.805 9.512 -6.423 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.408 9.331 -9.379 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.066 11.125 -9.056 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.545 9.626 -8.224 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.869 10.983 -7.293 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.680 11.684 -9.344 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -1.392 11.564 -7.592 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.419 10.593 -8.722 1.00 0.00 H new ATOM 574 N VAL A 43 0.641 8.159 -5.762 1.00 0.00 N ATOM 575 CA VAL A 43 1.861 8.591 -5.085 1.00 0.00 C ATOM 576 C VAL A 43 3.060 7.802 -5.600 1.00 0.00 C ATOM 577 O VAL A 43 4.138 8.356 -5.819 1.00 0.00 O ATOM 578 CB VAL A 43 1.731 8.440 -3.554 1.00 0.00 C ATOM 579 CG1 VAL A 43 2.210 7.078 -3.072 1.00 0.00 C ATOM 580 CG2 VAL A 43 2.475 9.559 -2.842 1.00 0.00 C ATOM 0 H VAL A 43 0.021 7.584 -5.191 1.00 0.00 H new ATOM 0 HA VAL A 43 2.015 9.647 -5.306 1.00 0.00 H new ATOM 0 HB VAL A 43 0.672 8.513 -3.307 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.100 7.016 -1.989 1.00 0.00 H new ATOM 0 HG12 VAL A 43 1.615 6.296 -3.542 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.259 6.946 -3.339 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.372 9.436 -1.764 1.00 0.00 H new ATOM 0 HG22 VAL A 43 3.530 9.524 -3.112 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.057 10.521 -3.139 1.00 0.00 H new ATOM 590 N THR A 44 2.845 6.510 -5.825 1.00 0.00 N ATOM 591 CA THR A 44 3.898 5.649 -6.357 1.00 0.00 C ATOM 592 C THR A 44 4.297 6.129 -7.749 1.00 0.00 C ATOM 593 O THR A 44 5.366 5.790 -8.258 1.00 0.00 O ATOM 594 CB THR A 44 3.444 4.194 -6.426 1.00 0.00 C ATOM 595 OG1 THR A 44 2.089 4.105 -6.820 1.00 0.00 O ATOM 596 CG2 THR A 44 3.593 3.453 -5.115 1.00 0.00 C ATOM 0 H THR A 44 1.958 6.038 -5.649 1.00 0.00 H new ATOM 0 HA THR A 44 4.755 5.705 -5.685 1.00 0.00 H new ATOM 0 HB THR A 44 4.098 3.727 -7.162 1.00 0.00 H new ATOM 0 HG1 THR A 44 1.877 4.841 -7.432 1.00 0.00 H new ATOM 0 HG21 THR A 44 3.251 2.425 -5.237 1.00 0.00 H new ATOM 0 HG22 THR A 44 4.640 3.454 -4.814 1.00 0.00 H new ATOM 0 HG23 THR A 44 2.994 3.945 -4.349 1.00 0.00 H new ATOM 604 N LYS A 45 3.429 6.944 -8.343 1.00 0.00 N ATOM 605 CA LYS A 45 3.665 7.510 -9.658 1.00 0.00 C ATOM 606 C LYS A 45 4.216 8.914 -9.490 1.00 0.00 C ATOM 607 O LYS A 45 4.596 9.575 -10.456 1.00 0.00 O ATOM 608 CB LYS A 45 2.371 7.538 -10.473 1.00 0.00 C ATOM 609 CG LYS A 45 2.531 8.158 -11.853 1.00 0.00 C ATOM 610 CD LYS A 45 1.247 8.059 -12.660 1.00 0.00 C ATOM 611 CE LYS A 45 1.334 8.867 -13.945 1.00 0.00 C ATOM 612 NZ LYS A 45 0.006 9.015 -14.602 1.00 0.00 N ATOM 0 H LYS A 45 2.544 7.227 -7.922 1.00 0.00 H new ATOM 0 HA LYS A 45 4.384 6.894 -10.197 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.999 6.519 -10.583 1.00 0.00 H new ATOM 0 HB3 LYS A 45 1.615 8.095 -9.919 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.819 9.204 -11.752 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.338 7.656 -12.387 1.00 0.00 H new ATOM 0 HD2 LYS A 45 1.045 7.015 -12.898 1.00 0.00 H new ATOM 0 HD3 LYS A 45 0.410 8.416 -12.060 1.00 0.00 H new ATOM 0 HE2 LYS A 45 1.742 9.854 -13.726 1.00 0.00 H new ATOM 0 HE3 LYS A 45 2.026 8.381 -14.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 0.110 9.572 -15.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -0.373 8.075 -14.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -0.648 9.502 -13.957 1.00 0.00 H new ATOM 626 N GLU A 46 4.285 9.343 -8.232 1.00 0.00 N ATOM 627 CA GLU A 46 4.822 10.641 -7.900 1.00 0.00 C ATOM 628 C GLU A 46 6.211 10.453 -7.325 1.00 0.00 C ATOM 629 O GLU A 46 6.435 10.576 -6.121 1.00 0.00 O ATOM 630 CB GLU A 46 3.923 11.363 -6.895 1.00 0.00 C ATOM 631 CG GLU A 46 2.878 12.254 -7.545 1.00 0.00 C ATOM 632 CD GLU A 46 1.893 12.826 -6.544 1.00 0.00 C ATOM 633 OE1 GLU A 46 1.143 12.037 -5.932 1.00 0.00 O ATOM 634 OE2 GLU A 46 1.871 14.063 -6.374 1.00 0.00 O ATOM 0 H GLU A 46 3.971 8.800 -7.428 1.00 0.00 H new ATOM 0 HA GLU A 46 4.870 11.255 -8.799 1.00 0.00 H new ATOM 0 HB2 GLU A 46 3.421 10.623 -6.272 1.00 0.00 H new ATOM 0 HB3 GLU A 46 4.544 11.968 -6.234 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.377 13.071 -8.066 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.335 11.681 -8.297 1.00 0.00 H new ATOM 641 N ASP A 47 7.129 10.118 -8.212 1.00 0.00 N ATOM 642 CA ASP A 47 8.517 9.855 -7.843 1.00 0.00 C ATOM 643 C ASP A 47 9.141 11.050 -7.126 1.00 0.00 C ATOM 644 O ASP A 47 8.538 12.119 -7.032 1.00 0.00 O ATOM 645 CB ASP A 47 9.329 9.512 -9.095 1.00 0.00 C ATOM 646 CG ASP A 47 9.586 8.024 -9.227 1.00 0.00 C ATOM 647 OD1 ASP A 47 8.674 7.302 -9.686 1.00 0.00 O ATOM 648 OD2 ASP A 47 10.699 7.578 -8.874 1.00 0.00 O ATOM 0 H ASP A 47 6.939 10.019 -9.209 1.00 0.00 H new ATOM 0 HA ASP A 47 8.530 9.009 -7.155 1.00 0.00 H new ATOM 0 HB2 ASP A 47 8.797 9.866 -9.978 1.00 0.00 H new ATOM 0 HB3 ASP A 47 10.281 10.041 -9.063 1.00 0.00 H new ATOM 653 N PRO A 48 10.357 10.861 -6.578 1.00 0.00 N ATOM 654 CA PRO A 48 11.066 11.897 -5.824 1.00 0.00 C ATOM 655 C PRO A 48 10.960 13.290 -6.438 1.00 0.00 C ATOM 656 O PRO A 48 11.082 14.283 -5.731 1.00 0.00 O ATOM 657 CB PRO A 48 12.508 11.405 -5.855 1.00 0.00 C ATOM 658 CG PRO A 48 12.391 9.919 -5.862 1.00 0.00 C ATOM 659 CD PRO A 48 11.123 9.597 -6.613 1.00 0.00 C ATOM 0 HA PRO A 48 10.648 12.022 -4.825 1.00 0.00 H new ATOM 0 HB2 PRO A 48 13.033 11.767 -6.739 1.00 0.00 H new ATOM 0 HB3 PRO A 48 13.067 11.756 -4.987 1.00 0.00 H new ATOM 0 HG2 PRO A 48 13.255 9.463 -6.345 1.00 0.00 H new ATOM 0 HG3 PRO A 48 12.351 9.527 -4.846 1.00 0.00 H new ATOM 0 HD2 PRO A 48 11.333 9.286 -7.636 1.00 0.00 H new ATOM 0 HD3 PRO A 48 10.574 8.784 -6.139 1.00 0.00 H new ATOM 667 N LYS A 49 10.746 13.377 -7.743 1.00 0.00 N ATOM 668 CA LYS A 49 10.636 14.678 -8.396 1.00 0.00 C ATOM 669 C LYS A 49 9.506 15.513 -7.785 1.00 0.00 C ATOM 670 O LYS A 49 9.727 16.630 -7.288 1.00 0.00 O ATOM 671 CB LYS A 49 10.397 14.498 -9.897 1.00 0.00 C ATOM 672 CG LYS A 49 10.648 15.759 -10.708 1.00 0.00 C ATOM 673 CD LYS A 49 11.025 15.435 -12.144 1.00 0.00 C ATOM 674 CE LYS A 49 12.520 15.592 -12.378 1.00 0.00 C ATOM 675 NZ LYS A 49 12.849 16.905 -13.000 1.00 0.00 N ATOM 0 H LYS A 49 10.646 12.575 -8.366 1.00 0.00 H new ATOM 0 HA LYS A 49 11.575 15.210 -8.242 1.00 0.00 H new ATOM 0 HB2 LYS A 49 11.045 13.703 -10.267 1.00 0.00 H new ATOM 0 HB3 LYS A 49 9.369 14.172 -10.056 1.00 0.00 H new ATOM 0 HG2 LYS A 49 9.754 16.383 -10.698 1.00 0.00 H new ATOM 0 HG3 LYS A 49 11.446 16.338 -10.244 1.00 0.00 H new ATOM 0 HD2 LYS A 49 10.724 14.414 -12.378 1.00 0.00 H new ATOM 0 HD3 LYS A 49 10.479 16.091 -12.821 1.00 0.00 H new ATOM 0 HE2 LYS A 49 13.048 15.497 -11.429 1.00 0.00 H new ATOM 0 HE3 LYS A 49 12.874 14.786 -13.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 13.877 16.973 -13.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 12.365 16.986 -13.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 12.535 17.674 -12.374 1.00 0.00 H new ATOM 689 N ALA A 50 8.304 14.943 -7.744 1.00 0.00 N ATOM 690 CA ALA A 50 7.173 15.621 -7.132 1.00 0.00 C ATOM 691 C ALA A 50 7.189 15.375 -5.641 1.00 0.00 C ATOM 692 O ALA A 50 6.853 16.248 -4.841 1.00 0.00 O ATOM 693 CB ALA A 50 5.862 15.151 -7.747 1.00 0.00 C ATOM 0 H ALA A 50 8.093 14.021 -8.125 1.00 0.00 H new ATOM 0 HA ALA A 50 7.256 16.692 -7.317 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.030 15.672 -7.273 1.00 0.00 H new ATOM 0 HB2 ALA A 50 5.864 15.366 -8.816 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.752 14.077 -7.593 1.00 0.00 H new ATOM 699 N LEU A 51 7.622 14.177 -5.276 1.00 0.00 N ATOM 700 CA LEU A 51 7.738 13.799 -3.886 1.00 0.00 C ATOM 701 C LEU A 51 8.678 14.773 -3.204 1.00 0.00 C ATOM 702 O LEU A 51 8.446 15.198 -2.080 1.00 0.00 O ATOM 703 CB LEU A 51 8.265 12.367 -3.762 1.00 0.00 C ATOM 704 CG LEU A 51 7.380 11.414 -2.957 1.00 0.00 C ATOM 705 CD1 LEU A 51 5.953 11.425 -3.490 1.00 0.00 C ATOM 706 CD2 LEU A 51 7.951 10.005 -2.990 1.00 0.00 C ATOM 0 H LEU A 51 7.900 13.449 -5.934 1.00 0.00 H new ATOM 0 HA LEU A 51 6.759 13.834 -3.409 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.396 11.957 -4.764 1.00 0.00 H new ATOM 0 HB3 LEU A 51 9.252 12.399 -3.300 1.00 0.00 H new ATOM 0 HG LEU A 51 7.360 11.755 -1.922 1.00 0.00 H new ATOM 0 HD11 LEU A 51 5.340 10.740 -2.903 1.00 0.00 H new ATOM 0 HD12 LEU A 51 5.544 12.433 -3.415 1.00 0.00 H new ATOM 0 HD13 LEU A 51 5.952 11.110 -4.533 1.00 0.00 H new ATOM 0 HD21 LEU A 51 7.310 9.339 -2.413 1.00 0.00 H new ATOM 0 HD22 LEU A 51 8.001 9.657 -4.022 1.00 0.00 H new ATOM 0 HD23 LEU A 51 8.952 10.008 -2.559 1.00 0.00 H new ATOM 718 N ALA A 52 9.745 15.139 -3.907 1.00 0.00 N ATOM 719 CA ALA A 52 10.714 16.078 -3.370 1.00 0.00 C ATOM 720 C ALA A 52 9.996 17.278 -2.798 1.00 0.00 C ATOM 721 O ALA A 52 10.066 17.537 -1.604 1.00 0.00 O ATOM 722 CB ALA A 52 11.695 16.513 -4.447 1.00 0.00 C ATOM 0 H ALA A 52 9.957 14.800 -4.845 1.00 0.00 H new ATOM 0 HA ALA A 52 11.278 15.586 -2.577 1.00 0.00 H new ATOM 0 HB1 ALA A 52 12.412 17.216 -4.023 1.00 0.00 H new ATOM 0 HB2 ALA A 52 12.225 15.641 -4.830 1.00 0.00 H new ATOM 0 HB3 ALA A 52 11.152 16.994 -5.261 1.00 0.00 H new ATOM 728 N VAL A 53 9.297 18.010 -3.656 1.00 0.00 N ATOM 729 CA VAL A 53 8.575 19.181 -3.177 1.00 0.00 C ATOM 730 C VAL A 53 7.492 18.769 -2.169 1.00 0.00 C ATOM 731 O VAL A 53 7.583 19.121 -0.994 1.00 0.00 O ATOM 732 CB VAL A 53 7.966 20.018 -4.331 1.00 0.00 C ATOM 733 CG1 VAL A 53 7.233 19.139 -5.333 1.00 0.00 C ATOM 734 CG2 VAL A 53 7.043 21.102 -3.790 1.00 0.00 C ATOM 0 H VAL A 53 9.215 17.823 -4.655 1.00 0.00 H new ATOM 0 HA VAL A 53 9.300 19.822 -2.675 1.00 0.00 H new ATOM 0 HB VAL A 53 8.791 20.500 -4.855 1.00 0.00 H new ATOM 0 HG11 VAL A 53 6.819 19.760 -6.128 1.00 0.00 H new ATOM 0 HG12 VAL A 53 7.929 18.417 -5.761 1.00 0.00 H new ATOM 0 HG13 VAL A 53 6.425 18.609 -4.829 1.00 0.00 H new ATOM 0 HG21 VAL A 53 6.629 21.675 -4.620 1.00 0.00 H new ATOM 0 HG22 VAL A 53 6.232 20.641 -3.227 1.00 0.00 H new ATOM 0 HG23 VAL A 53 7.607 21.767 -3.136 1.00 0.00 H new ATOM 744 N ALA A 54 6.462 18.040 -2.614 1.00 0.00 N ATOM 745 CA ALA A 54 5.375 17.617 -1.717 1.00 0.00 C ATOM 746 C ALA A 54 5.887 16.942 -0.452 1.00 0.00 C ATOM 747 O ALA A 54 5.141 16.778 0.515 1.00 0.00 O ATOM 748 CB ALA A 54 4.415 16.697 -2.454 1.00 0.00 C ATOM 0 H ALA A 54 6.356 17.732 -3.581 1.00 0.00 H new ATOM 0 HA ALA A 54 4.849 18.519 -1.405 1.00 0.00 H new ATOM 0 HB1 ALA A 54 3.615 16.391 -1.780 1.00 0.00 H new ATOM 0 HB2 ALA A 54 3.989 17.224 -3.307 1.00 0.00 H new ATOM 0 HB3 ALA A 54 4.952 15.815 -2.804 1.00 0.00 H new ATOM 754 N LEU A 55 7.152 16.569 -0.450 1.00 0.00 N ATOM 755 CA LEU A 55 7.741 15.938 0.697 1.00 0.00 C ATOM 756 C LEU A 55 9.075 16.544 0.974 1.00 0.00 C ATOM 757 O LEU A 55 10.025 15.848 1.297 1.00 0.00 O ATOM 758 CB LEU A 55 7.846 14.440 0.484 1.00 0.00 C ATOM 759 CG LEU A 55 6.494 13.790 0.285 1.00 0.00 C ATOM 760 CD1 LEU A 55 5.982 14.055 -1.121 1.00 0.00 C ATOM 761 CD2 LEU A 55 6.557 12.298 0.574 1.00 0.00 C ATOM 0 H LEU A 55 7.788 16.696 -1.238 1.00 0.00 H new ATOM 0 HA LEU A 55 7.103 16.101 1.566 1.00 0.00 H new ATOM 0 HB2 LEU A 55 8.473 14.242 -0.386 1.00 0.00 H new ATOM 0 HB3 LEU A 55 8.341 13.987 1.343 1.00 0.00 H new ATOM 0 HG LEU A 55 5.793 14.232 0.993 1.00 0.00 H new ATOM 0 HD11 LEU A 55 5.009 13.581 -1.249 1.00 0.00 H new ATOM 0 HD12 LEU A 55 5.886 15.130 -1.277 1.00 0.00 H new ATOM 0 HD13 LEU A 55 6.684 13.645 -1.847 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.572 11.856 0.423 1.00 0.00 H new ATOM 0 HD22 LEU A 55 7.273 11.827 -0.099 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.871 12.140 1.606 1.00 0.00 H new ATOM 773 N ASN A 56 9.156 17.847 0.744 1.00 0.00 N ATOM 774 CA ASN A 56 10.388 18.583 0.878 1.00 0.00 C ATOM 775 C ASN A 56 11.312 17.998 1.936 1.00 0.00 C ATOM 776 O ASN A 56 11.353 18.424 3.087 1.00 0.00 O ATOM 777 CB ASN A 56 10.033 20.017 1.223 1.00 0.00 C ATOM 778 CG ASN A 56 10.856 21.029 0.450 1.00 0.00 C ATOM 779 OD1 ASN A 56 11.897 21.488 0.918 1.00 0.00 O ATOM 780 ND2 ASN A 56 10.391 21.382 -0.745 1.00 0.00 N ATOM 0 H ASN A 56 8.361 18.418 0.458 1.00 0.00 H new ATOM 0 HA ASN A 56 10.934 18.526 -0.063 1.00 0.00 H new ATOM 0 HB2 ASN A 56 8.975 20.184 1.019 1.00 0.00 H new ATOM 0 HB3 ASN A 56 10.180 20.176 2.291 1.00 0.00 H new ATOM 0 HD21 ASN A 56 10.902 22.058 -1.312 1.00 0.00 H new ATOM 0 HD22 ASN A 56 9.523 20.976 -1.095 1.00 0.00 H new ATOM 787 N TRP A 57 12.077 17.037 1.456 1.00 0.00 N ATOM 788 CA TRP A 57 13.083 16.316 2.220 1.00 0.00 C ATOM 789 C TRP A 57 14.152 15.879 1.242 1.00 0.00 C ATOM 790 O TRP A 57 14.100 16.245 0.066 1.00 0.00 O ATOM 791 CB TRP A 57 12.541 15.061 2.916 1.00 0.00 C ATOM 792 CG TRP A 57 11.109 15.080 3.336 1.00 0.00 C ATOM 793 CD1 TRP A 57 10.408 16.072 3.952 1.00 0.00 C ATOM 794 CD2 TRP A 57 10.214 13.993 3.179 1.00 0.00 C ATOM 795 NE1 TRP A 57 9.099 15.667 4.146 1.00 0.00 N ATOM 796 CE2 TRP A 57 8.968 14.385 3.689 1.00 0.00 C ATOM 797 CE3 TRP A 57 10.359 12.728 2.639 1.00 0.00 C ATOM 798 CZ2 TRP A 57 7.867 13.536 3.675 1.00 0.00 C ATOM 799 CZ3 TRP A 57 9.270 11.884 2.623 1.00 0.00 C ATOM 800 CH2 TRP A 57 8.038 12.291 3.138 1.00 0.00 C ATOM 0 H TRP A 57 12.015 16.723 0.487 1.00 0.00 H new ATOM 0 HA TRP A 57 13.451 16.981 3.001 1.00 0.00 H new ATOM 0 HB2 TRP A 57 12.685 14.214 2.246 1.00 0.00 H new ATOM 0 HB3 TRP A 57 13.150 14.875 3.801 1.00 0.00 H new ATOM 0 HD1 TRP A 57 10.812 17.030 4.245 1.00 0.00 H new ATOM 0 HE1 TRP A 57 8.356 16.230 4.560 1.00 0.00 H new ATOM 0 HE3 TRP A 57 11.309 12.407 2.237 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 6.913 13.849 4.073 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 9.371 10.893 2.206 1.00 0.00 H new ATOM 0 HH2 TRP A 57 7.202 11.607 3.111 1.00 0.00 H new ATOM 811 N ASP A 58 15.091 15.057 1.681 1.00 0.00 N ATOM 812 CA ASP A 58 16.103 14.552 0.770 1.00 0.00 C ATOM 813 C ASP A 58 15.421 13.630 -0.233 1.00 0.00 C ATOM 814 O ASP A 58 14.531 12.865 0.140 1.00 0.00 O ATOM 815 CB ASP A 58 17.183 13.787 1.538 1.00 0.00 C ATOM 816 CG ASP A 58 18.056 14.698 2.379 1.00 0.00 C ATOM 817 OD1 ASP A 58 17.811 15.922 2.379 1.00 0.00 O ATOM 818 OD2 ASP A 58 18.984 14.186 3.039 1.00 0.00 O ATOM 0 H ASP A 58 15.173 14.730 2.644 1.00 0.00 H new ATOM 0 HA ASP A 58 16.584 15.383 0.254 1.00 0.00 H new ATOM 0 HB2 ASP A 58 16.710 13.047 2.183 1.00 0.00 H new ATOM 0 HB3 ASP A 58 17.808 13.241 0.832 1.00 0.00 H new ATOM 823 N ILE A 59 15.808 13.704 -1.500 1.00 0.00 N ATOM 824 CA ILE A 59 15.190 12.876 -2.509 1.00 0.00 C ATOM 825 C ILE A 59 15.319 11.422 -2.133 1.00 0.00 C ATOM 826 O ILE A 59 14.384 10.637 -2.293 1.00 0.00 O ATOM 827 CB ILE A 59 15.806 13.084 -3.893 1.00 0.00 C ATOM 828 CG1 ILE A 59 17.334 13.159 -3.814 1.00 0.00 C ATOM 829 CG2 ILE A 59 15.239 14.335 -4.547 1.00 0.00 C ATOM 830 CD1 ILE A 59 18.007 13.201 -5.169 1.00 0.00 C ATOM 0 H ILE A 59 16.540 14.325 -1.844 1.00 0.00 H new ATOM 0 HA ILE A 59 14.141 13.168 -2.558 1.00 0.00 H new ATOM 0 HB ILE A 59 15.546 12.223 -4.510 1.00 0.00 H new ATOM 0 HG12 ILE A 59 17.618 14.047 -3.249 1.00 0.00 H new ATOM 0 HG13 ILE A 59 17.704 12.296 -3.260 1.00 0.00 H new ATOM 0 HG21 ILE A 59 15.689 14.467 -5.531 1.00 0.00 H new ATOM 0 HG22 ILE A 59 14.159 14.233 -4.653 1.00 0.00 H new ATOM 0 HG23 ILE A 59 15.462 15.203 -3.927 1.00 0.00 H new ATOM 0 HD11 ILE A 59 19.088 13.254 -5.037 1.00 0.00 H new ATOM 0 HD12 ILE A 59 17.753 12.301 -5.729 1.00 0.00 H new ATOM 0 HD13 ILE A 59 17.665 14.079 -5.718 1.00 0.00 H new ATOM 842 N LYS A 60 16.488 11.065 -1.633 1.00 0.00 N ATOM 843 CA LYS A 60 16.732 9.704 -1.237 1.00 0.00 C ATOM 844 C LYS A 60 15.863 9.332 -0.043 1.00 0.00 C ATOM 845 O LYS A 60 15.477 8.176 0.127 1.00 0.00 O ATOM 846 CB LYS A 60 18.210 9.499 -0.900 1.00 0.00 C ATOM 847 CG LYS A 60 18.698 10.372 0.245 1.00 0.00 C ATOM 848 CD LYS A 60 18.604 9.648 1.579 1.00 0.00 C ATOM 849 CE LYS A 60 19.961 9.543 2.257 1.00 0.00 C ATOM 850 NZ LYS A 60 20.560 8.189 2.091 1.00 0.00 N ATOM 0 H LYS A 60 17.275 11.700 -1.495 1.00 0.00 H new ATOM 0 HA LYS A 60 16.473 9.053 -2.072 1.00 0.00 H new ATOM 0 HB2 LYS A 60 18.374 8.452 -0.644 1.00 0.00 H new ATOM 0 HB3 LYS A 60 18.809 9.708 -1.786 1.00 0.00 H new ATOM 0 HG2 LYS A 60 19.731 10.668 0.063 1.00 0.00 H new ATOM 0 HG3 LYS A 60 18.106 11.287 0.284 1.00 0.00 H new ATOM 0 HD2 LYS A 60 17.910 10.177 2.232 1.00 0.00 H new ATOM 0 HD3 LYS A 60 18.196 8.649 1.423 1.00 0.00 H new ATOM 0 HE2 LYS A 60 20.634 10.292 1.840 1.00 0.00 H new ATOM 0 HE3 LYS A 60 19.855 9.766 3.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 21.484 8.157 2.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 19.930 7.477 2.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 20.685 7.986 1.079 1.00 0.00 H new ATOM 864 N LYS A 61 15.561 10.330 0.782 1.00 0.00 N ATOM 865 CA LYS A 61 14.738 10.126 1.967 1.00 0.00 C ATOM 866 C LYS A 61 13.256 10.011 1.617 1.00 0.00 C ATOM 867 O LYS A 61 12.521 9.255 2.258 1.00 0.00 O ATOM 868 CB LYS A 61 14.952 11.270 2.959 1.00 0.00 C ATOM 869 CG LYS A 61 14.383 10.990 4.340 1.00 0.00 C ATOM 870 CD LYS A 61 12.936 11.447 4.450 1.00 0.00 C ATOM 871 CE LYS A 61 12.488 11.521 5.900 1.00 0.00 C ATOM 872 NZ LYS A 61 11.145 12.153 6.038 1.00 0.00 N ATOM 0 H LYS A 61 15.876 11.291 0.650 1.00 0.00 H new ATOM 0 HA LYS A 61 15.046 9.185 2.423 1.00 0.00 H new ATOM 0 HB2 LYS A 61 16.020 11.468 3.048 1.00 0.00 H new ATOM 0 HB3 LYS A 61 14.492 12.175 2.562 1.00 0.00 H new ATOM 0 HG2 LYS A 61 14.445 9.922 4.551 1.00 0.00 H new ATOM 0 HG3 LYS A 61 14.985 11.499 5.093 1.00 0.00 H new ATOM 0 HD2 LYS A 61 12.825 12.426 3.983 1.00 0.00 H new ATOM 0 HD3 LYS A 61 12.292 10.758 3.903 1.00 0.00 H new ATOM 0 HE2 LYS A 61 12.461 10.517 6.323 1.00 0.00 H new ATOM 0 HE3 LYS A 61 13.217 12.090 6.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 11.193 12.922 6.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 10.846 12.538 5.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 10.457 11.440 6.355 1.00 0.00 H new ATOM 886 N THR A 62 12.805 10.762 0.610 1.00 0.00 N ATOM 887 CA THR A 62 11.404 10.725 0.219 1.00 0.00 C ATOM 888 C THR A 62 11.083 9.401 -0.442 1.00 0.00 C ATOM 889 O THR A 62 9.975 8.881 -0.309 1.00 0.00 O ATOM 890 CB THR A 62 11.075 11.879 -0.728 1.00 0.00 C ATOM 891 OG1 THR A 62 9.741 11.786 -1.193 1.00 0.00 O ATOM 892 CG2 THR A 62 11.981 11.934 -1.937 1.00 0.00 C ATOM 0 H THR A 62 13.386 11.394 0.059 1.00 0.00 H new ATOM 0 HA THR A 62 10.794 10.832 1.116 1.00 0.00 H new ATOM 0 HB THR A 62 11.223 12.785 -0.140 1.00 0.00 H new ATOM 0 HG1 THR A 62 9.231 11.188 -0.607 1.00 0.00 H new ATOM 0 HG21 THR A 62 11.695 12.775 -2.568 1.00 0.00 H new ATOM 0 HG22 THR A 62 13.014 12.059 -1.612 1.00 0.00 H new ATOM 0 HG23 THR A 62 11.889 11.007 -2.503 1.00 0.00 H new ATOM 900 N GLU A 63 12.062 8.848 -1.151 1.00 0.00 N ATOM 901 CA GLU A 63 11.877 7.577 -1.818 1.00 0.00 C ATOM 902 C GLU A 63 11.859 6.439 -0.805 1.00 0.00 C ATOM 903 O GLU A 63 11.164 5.445 -0.987 1.00 0.00 O ATOM 904 CB GLU A 63 12.983 7.346 -2.849 1.00 0.00 C ATOM 905 CG GLU A 63 14.380 7.377 -2.255 1.00 0.00 C ATOM 906 CD GLU A 63 15.427 6.801 -3.190 1.00 0.00 C ATOM 907 OE1 GLU A 63 15.043 6.112 -4.160 1.00 0.00 O ATOM 908 OE2 GLU A 63 16.631 7.039 -2.954 1.00 0.00 O ATOM 0 H GLU A 63 12.986 9.263 -1.274 1.00 0.00 H new ATOM 0 HA GLU A 63 10.917 7.600 -2.335 1.00 0.00 H new ATOM 0 HB2 GLU A 63 12.823 6.382 -3.332 1.00 0.00 H new ATOM 0 HB3 GLU A 63 12.910 8.107 -3.626 1.00 0.00 H new ATOM 0 HG2 GLU A 63 14.644 8.406 -2.011 1.00 0.00 H new ATOM 0 HG3 GLU A 63 14.385 6.816 -1.320 1.00 0.00 H new ATOM 915 N THR A 64 12.649 6.584 0.255 1.00 0.00 N ATOM 916 CA THR A 64 12.736 5.560 1.290 1.00 0.00 C ATOM 917 C THR A 64 11.434 5.444 2.078 1.00 0.00 C ATOM 918 O THR A 64 11.050 4.350 2.490 1.00 0.00 O ATOM 919 CB THR A 64 13.890 5.873 2.242 1.00 0.00 C ATOM 920 OG1 THR A 64 15.109 6.002 1.530 1.00 0.00 O ATOM 921 CG2 THR A 64 14.091 4.813 3.305 1.00 0.00 C ATOM 0 H THR A 64 13.238 7.401 0.419 1.00 0.00 H new ATOM 0 HA THR A 64 12.917 4.605 0.796 1.00 0.00 H new ATOM 0 HB THR A 64 13.617 6.809 2.729 1.00 0.00 H new ATOM 0 HG1 THR A 64 15.027 6.721 0.869 1.00 0.00 H new ATOM 0 HG21 THR A 64 14.925 5.096 3.948 1.00 0.00 H new ATOM 0 HG22 THR A 64 13.185 4.723 3.905 1.00 0.00 H new ATOM 0 HG23 THR A 64 14.308 3.857 2.829 1.00 0.00 H new ATOM 929 N VAL A 65 10.753 6.569 2.288 1.00 0.00 N ATOM 930 CA VAL A 65 9.500 6.565 3.028 1.00 0.00 C ATOM 931 C VAL A 65 8.374 6.006 2.171 1.00 0.00 C ATOM 932 O VAL A 65 7.516 5.270 2.656 1.00 0.00 O ATOM 933 CB VAL A 65 9.127 7.981 3.534 1.00 0.00 C ATOM 934 CG1 VAL A 65 8.268 8.732 2.522 1.00 0.00 C ATOM 935 CG2 VAL A 65 8.419 7.892 4.876 1.00 0.00 C ATOM 0 H VAL A 65 11.048 7.488 1.957 1.00 0.00 H new ATOM 0 HA VAL A 65 9.640 5.924 3.898 1.00 0.00 H new ATOM 0 HB VAL A 65 10.052 8.544 3.660 1.00 0.00 H new ATOM 0 HG11 VAL A 65 8.027 9.721 2.912 1.00 0.00 H new ATOM 0 HG12 VAL A 65 8.816 8.835 1.585 1.00 0.00 H new ATOM 0 HG13 VAL A 65 7.347 8.177 2.344 1.00 0.00 H new ATOM 0 HG21 VAL A 65 8.163 8.894 5.219 1.00 0.00 H new ATOM 0 HG22 VAL A 65 7.509 7.302 4.769 1.00 0.00 H new ATOM 0 HG23 VAL A 65 9.077 7.416 5.603 1.00 0.00 H new ATOM 945 N GLN A 66 8.390 6.359 0.891 1.00 0.00 N ATOM 946 CA GLN A 66 7.375 5.890 -0.037 1.00 0.00 C ATOM 947 C GLN A 66 7.648 4.453 -0.491 1.00 0.00 C ATOM 948 O GLN A 66 6.722 3.669 -0.682 1.00 0.00 O ATOM 949 CB GLN A 66 7.277 6.827 -1.246 1.00 0.00 C ATOM 950 CG GLN A 66 8.451 6.730 -2.206 1.00 0.00 C ATOM 951 CD GLN A 66 8.109 5.962 -3.468 1.00 0.00 C ATOM 952 OE1 GLN A 66 8.714 4.933 -3.767 1.00 0.00 O ATOM 953 NE2 GLN A 66 7.135 6.464 -4.220 1.00 0.00 N ATOM 0 H GLN A 66 9.095 6.968 0.475 1.00 0.00 H new ATOM 0 HA GLN A 66 6.420 5.895 0.488 1.00 0.00 H new ATOM 0 HB2 GLN A 66 6.358 6.606 -1.790 1.00 0.00 H new ATOM 0 HB3 GLN A 66 7.197 7.854 -0.890 1.00 0.00 H new ATOM 0 HG2 GLN A 66 8.781 7.734 -2.474 1.00 0.00 H new ATOM 0 HG3 GLN A 66 9.287 6.243 -1.704 1.00 0.00 H new ATOM 0 HE21 GLN A 66 6.660 7.320 -3.934 1.00 0.00 H new ATOM 0 HE22 GLN A 66 6.863 5.993 -5.083 1.00 0.00 H new ATOM 962 N GLU A 67 8.927 4.126 -0.672 1.00 0.00 N ATOM 963 CA GLU A 67 9.337 2.793 -1.119 1.00 0.00 C ATOM 964 C GLU A 67 9.179 1.751 -0.015 1.00 0.00 C ATOM 965 O GLU A 67 8.765 0.620 -0.270 1.00 0.00 O ATOM 966 CB GLU A 67 10.789 2.821 -1.599 1.00 0.00 C ATOM 967 CG GLU A 67 11.235 1.533 -2.275 1.00 0.00 C ATOM 968 CD GLU A 67 12.566 1.030 -1.753 1.00 0.00 C ATOM 969 OE1 GLU A 67 13.536 1.817 -1.748 1.00 0.00 O ATOM 970 OE2 GLU A 67 12.639 -0.149 -1.350 1.00 0.00 O ATOM 0 H GLU A 67 9.702 4.770 -0.515 1.00 0.00 H new ATOM 0 HA GLU A 67 8.684 2.509 -1.944 1.00 0.00 H new ATOM 0 HB2 GLU A 67 10.916 3.649 -2.296 1.00 0.00 H new ATOM 0 HB3 GLU A 67 11.440 3.018 -0.747 1.00 0.00 H new ATOM 0 HG2 GLU A 67 10.476 0.766 -2.123 1.00 0.00 H new ATOM 0 HG3 GLU A 67 11.310 1.698 -3.350 1.00 0.00 H new ATOM 977 N ALA A 68 9.495 2.143 1.215 1.00 0.00 N ATOM 978 CA ALA A 68 9.367 1.240 2.352 1.00 0.00 C ATOM 979 C ALA A 68 7.896 1.034 2.672 1.00 0.00 C ATOM 980 O ALA A 68 7.405 -0.094 2.754 1.00 0.00 O ATOM 981 CB ALA A 68 10.103 1.795 3.562 1.00 0.00 C ATOM 0 H ALA A 68 9.839 3.074 1.449 1.00 0.00 H new ATOM 0 HA ALA A 68 9.815 0.280 2.096 1.00 0.00 H new ATOM 0 HB1 ALA A 68 9.996 1.107 4.400 1.00 0.00 H new ATOM 0 HB2 ALA A 68 11.160 1.913 3.322 1.00 0.00 H new ATOM 0 HB3 ALA A 68 9.682 2.763 3.831 1.00 0.00 H new ATOM 987 N CYS A 69 7.199 2.148 2.836 1.00 0.00 N ATOM 988 CA CYS A 69 5.779 2.127 3.132 1.00 0.00 C ATOM 989 C CYS A 69 5.032 1.315 2.073 1.00 0.00 C ATOM 990 O CYS A 69 4.034 0.662 2.370 1.00 0.00 O ATOM 991 CB CYS A 69 5.238 3.547 3.219 1.00 0.00 C ATOM 992 SG CYS A 69 5.538 4.341 4.817 1.00 0.00 S ATOM 0 H CYS A 69 7.600 3.084 2.768 1.00 0.00 H new ATOM 0 HA CYS A 69 5.624 1.647 4.098 1.00 0.00 H new ATOM 0 HB2 CYS A 69 5.693 4.149 2.433 1.00 0.00 H new ATOM 0 HB3 CYS A 69 4.165 3.530 3.027 1.00 0.00 H new ATOM 0 HG CYS A 69 6.549 5.152 4.715 1.00 0.00 H new ATOM 998 N GLU A 70 5.543 1.331 0.841 1.00 0.00 N ATOM 999 CA GLU A 70 4.938 0.565 -0.246 1.00 0.00 C ATOM 1000 C GLU A 70 5.048 -0.925 0.057 1.00 0.00 C ATOM 1001 O GLU A 70 4.051 -1.653 0.069 1.00 0.00 O ATOM 1002 CB GLU A 70 5.631 0.877 -1.578 1.00 0.00 C ATOM 1003 CG GLU A 70 4.671 1.212 -2.710 1.00 0.00 C ATOM 1004 CD GLU A 70 3.504 0.246 -2.794 1.00 0.00 C ATOM 1005 OE1 GLU A 70 3.649 -0.902 -2.325 1.00 0.00 O ATOM 1006 OE2 GLU A 70 2.445 0.639 -3.330 1.00 0.00 O ATOM 0 H GLU A 70 6.371 1.864 0.573 1.00 0.00 H new ATOM 0 HA GLU A 70 3.888 0.844 -0.329 1.00 0.00 H new ATOM 0 HB2 GLU A 70 6.313 1.715 -1.434 1.00 0.00 H new ATOM 0 HB3 GLU A 70 6.237 0.019 -1.871 1.00 0.00 H new ATOM 0 HG2 GLU A 70 4.290 2.224 -2.570 1.00 0.00 H new ATOM 0 HG3 GLU A 70 5.213 1.203 -3.655 1.00 0.00 H new ATOM 1013 N ARG A 71 6.275 -1.363 0.326 1.00 0.00 N ATOM 1014 CA ARG A 71 6.539 -2.755 0.660 1.00 0.00 C ATOM 1015 C ARG A 71 5.646 -3.201 1.813 1.00 0.00 C ATOM 1016 O ARG A 71 5.349 -4.386 1.964 1.00 0.00 O ATOM 1017 CB ARG A 71 8.011 -2.941 1.035 1.00 0.00 C ATOM 1018 CG ARG A 71 8.976 -2.481 -0.047 1.00 0.00 C ATOM 1019 CD ARG A 71 10.267 -1.941 0.548 1.00 0.00 C ATOM 1020 NE ARG A 71 11.442 -2.401 -0.190 1.00 0.00 N ATOM 1021 CZ ARG A 71 12.002 -3.597 -0.023 1.00 0.00 C ATOM 1022 NH1 ARG A 71 11.498 -4.457 0.853 1.00 0.00 N ATOM 1023 NH2 ARG A 71 13.069 -3.933 -0.734 1.00 0.00 N ATOM 0 H ARG A 71 7.104 -0.769 0.318 1.00 0.00 H new ATOM 0 HA ARG A 71 6.318 -3.369 -0.213 1.00 0.00 H new ATOM 0 HB2 ARG A 71 8.216 -2.389 1.952 1.00 0.00 H new ATOM 0 HB3 ARG A 71 8.193 -3.994 1.249 1.00 0.00 H new ATOM 0 HG2 ARG A 71 9.202 -3.314 -0.712 1.00 0.00 H new ATOM 0 HG3 ARG A 71 8.503 -1.708 -0.653 1.00 0.00 H new ATOM 0 HD2 ARG A 71 10.240 -0.851 0.545 1.00 0.00 H new ATOM 0 HD3 ARG A 71 10.346 -2.255 1.589 1.00 0.00 H new ATOM 0 HE ARG A 71 11.857 -1.768 -0.873 1.00 0.00 H new ATOM 0 HH11 ARG A 71 10.677 -4.203 1.403 1.00 0.00 H new ATOM 0 HH12 ARG A 71 11.931 -5.372 0.977 1.00 0.00 H new ATOM 0 HH21 ARG A 71 13.460 -3.275 -1.408 1.00 0.00 H new ATOM 0 HH22 ARG A 71 13.499 -4.849 -0.607 1.00 0.00 H new ATOM 1037 N GLU A 72 5.202 -2.233 2.614 1.00 0.00 N ATOM 1038 CA GLU A 72 4.324 -2.518 3.737 1.00 0.00 C ATOM 1039 C GLU A 72 2.901 -2.754 3.257 1.00 0.00 C ATOM 1040 O GLU A 72 2.181 -3.586 3.808 1.00 0.00 O ATOM 1041 CB GLU A 72 4.371 -1.380 4.752 1.00 0.00 C ATOM 1042 CG GLU A 72 5.306 -1.649 5.920 1.00 0.00 C ATOM 1043 CD GLU A 72 4.888 -0.919 7.181 1.00 0.00 C ATOM 1044 OE1 GLU A 72 4.097 -1.489 7.962 1.00 0.00 O ATOM 1045 OE2 GLU A 72 5.348 0.222 7.388 1.00 0.00 O ATOM 0 H GLU A 72 5.438 -1.247 2.502 1.00 0.00 H new ATOM 0 HA GLU A 72 4.672 -3.428 4.226 1.00 0.00 H new ATOM 0 HB2 GLU A 72 4.686 -0.466 4.248 1.00 0.00 H new ATOM 0 HB3 GLU A 72 3.366 -1.203 5.135 1.00 0.00 H new ATOM 0 HG2 GLU A 72 5.336 -2.721 6.118 1.00 0.00 H new ATOM 0 HG3 GLU A 72 6.317 -1.347 5.648 1.00 0.00 H new ATOM 1052 N LEU A 73 2.500 -2.024 2.222 1.00 0.00 N ATOM 1053 CA LEU A 73 1.162 -2.168 1.669 1.00 0.00 C ATOM 1054 C LEU A 73 0.951 -3.576 1.133 1.00 0.00 C ATOM 1055 O LEU A 73 -0.133 -4.145 1.271 1.00 0.00 O ATOM 1056 CB LEU A 73 0.926 -1.139 0.554 1.00 0.00 C ATOM 1057 CG LEU A 73 -0.370 -1.312 -0.254 1.00 0.00 C ATOM 1058 CD1 LEU A 73 -0.214 -2.415 -1.290 1.00 0.00 C ATOM 1059 CD2 LEU A 73 -1.553 -1.600 0.662 1.00 0.00 C ATOM 0 H LEU A 73 3.081 -1.330 1.752 1.00 0.00 H new ATOM 0 HA LEU A 73 0.444 -1.989 2.469 1.00 0.00 H new ATOM 0 HB2 LEU A 73 0.924 -0.144 0.999 1.00 0.00 H new ATOM 0 HB3 LEU A 73 1.769 -1.179 -0.135 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.568 -0.375 -0.775 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.143 -2.521 -1.851 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.596 -2.160 -1.974 1.00 0.00 H new ATOM 0 HD13 LEU A 73 0.017 -3.355 -0.789 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.456 -1.718 0.064 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.366 -2.517 1.221 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.684 -0.772 1.358 1.00 0.00 H new ATOM 1071 N ALA A 74 1.986 -4.145 0.520 1.00 0.00 N ATOM 1072 CA ALA A 74 1.892 -5.492 -0.028 1.00 0.00 C ATOM 1073 C ALA A 74 2.029 -6.546 1.066 1.00 0.00 C ATOM 1074 O ALA A 74 1.445 -7.626 0.977 1.00 0.00 O ATOM 1075 CB ALA A 74 2.950 -5.701 -1.100 1.00 0.00 C ATOM 0 H ALA A 74 2.893 -3.696 0.392 1.00 0.00 H new ATOM 0 HA ALA A 74 0.906 -5.603 -0.479 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.868 -6.712 -1.500 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.802 -4.979 -1.903 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.940 -5.562 -0.666 1.00 0.00 H new ATOM 1081 N LEU A 75 2.806 -6.229 2.097 1.00 0.00 N ATOM 1082 CA LEU A 75 3.016 -7.155 3.204 1.00 0.00 C ATOM 1083 C LEU A 75 1.768 -7.243 4.079 1.00 0.00 C ATOM 1084 O LEU A 75 1.346 -8.330 4.471 1.00 0.00 O ATOM 1085 CB LEU A 75 4.219 -6.717 4.045 1.00 0.00 C ATOM 1086 CG LEU A 75 5.165 -7.847 4.459 1.00 0.00 C ATOM 1087 CD1 LEU A 75 6.010 -8.295 3.279 1.00 0.00 C ATOM 1088 CD2 LEU A 75 6.051 -7.401 5.613 1.00 0.00 C ATOM 0 H LEU A 75 3.299 -5.341 2.189 1.00 0.00 H new ATOM 0 HA LEU A 75 3.217 -8.142 2.789 1.00 0.00 H new ATOM 0 HB2 LEU A 75 4.787 -5.976 3.482 1.00 0.00 H new ATOM 0 HB3 LEU A 75 3.853 -6.222 4.944 1.00 0.00 H new ATOM 0 HG LEU A 75 4.566 -8.695 4.792 1.00 0.00 H new ATOM 0 HD11 LEU A 75 6.676 -9.099 3.593 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.360 -8.653 2.481 1.00 0.00 H new ATOM 0 HD13 LEU A 75 6.601 -7.455 2.915 1.00 0.00 H new ATOM 0 HD21 LEU A 75 6.718 -8.216 5.896 1.00 0.00 H new ATOM 0 HD22 LEU A 75 6.642 -6.538 5.306 1.00 0.00 H new ATOM 0 HD23 LEU A 75 5.429 -7.129 6.466 1.00 0.00 H new ATOM 1100 N ARG A 76 1.185 -6.087 4.382 1.00 0.00 N ATOM 1101 CA ARG A 76 -0.014 -6.025 5.213 1.00 0.00 C ATOM 1102 C ARG A 76 -1.175 -6.774 4.565 1.00 0.00 C ATOM 1103 O ARG A 76 -2.062 -7.277 5.257 1.00 0.00 O ATOM 1104 CB ARG A 76 -0.403 -4.566 5.472 1.00 0.00 C ATOM 1105 CG ARG A 76 -0.276 -4.159 6.932 1.00 0.00 C ATOM 1106 CD ARG A 76 0.505 -2.862 7.087 1.00 0.00 C ATOM 1107 NE ARG A 76 1.898 -3.104 7.462 1.00 0.00 N ATOM 1108 CZ ARG A 76 2.272 -3.647 8.618 1.00 0.00 C ATOM 1109 NH1 ARG A 76 1.363 -4.012 9.513 1.00 0.00 N ATOM 1110 NH2 ARG A 76 3.559 -3.830 8.880 1.00 0.00 N ATOM 0 H ARG A 76 1.524 -5.179 4.064 1.00 0.00 H new ATOM 0 HA ARG A 76 0.209 -6.508 6.164 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.227 -3.916 4.865 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -1.431 -4.408 5.146 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -1.269 -4.040 7.365 1.00 0.00 H new ATOM 0 HG3 ARG A 76 0.221 -4.953 7.489 1.00 0.00 H new ATOM 0 HD2 ARG A 76 0.473 -2.305 6.151 1.00 0.00 H new ATOM 0 HD3 ARG A 76 0.028 -2.240 7.844 1.00 0.00 H new ATOM 0 HE ARG A 76 2.626 -2.841 6.798 1.00 0.00 H new ATOM 0 HH11 ARG A 76 0.371 -3.877 9.317 1.00 0.00 H new ATOM 0 HH12 ARG A 76 1.656 -4.428 10.397 1.00 0.00 H new ATOM 0 HH21 ARG A 76 4.263 -3.554 8.195 1.00 0.00 H new ATOM 0 HH22 ARG A 76 3.845 -4.246 9.766 1.00 0.00 H new ATOM 1124 N LEU A 77 -1.162 -6.857 3.239 1.00 0.00 N ATOM 1125 CA LEU A 77 -2.211 -7.563 2.510 1.00 0.00 C ATOM 1126 C LEU A 77 -1.995 -9.074 2.591 1.00 0.00 C ATOM 1127 O LEU A 77 -2.950 -9.848 2.638 1.00 0.00 O ATOM 1128 CB LEU A 77 -2.256 -7.098 1.048 1.00 0.00 C ATOM 1129 CG LEU A 77 -1.450 -7.942 0.055 1.00 0.00 C ATOM 1130 CD1 LEU A 77 -2.285 -9.106 -0.454 1.00 0.00 C ATOM 1131 CD2 LEU A 77 -0.966 -7.084 -1.104 1.00 0.00 C ATOM 0 H LEU A 77 -0.439 -6.446 2.648 1.00 0.00 H new ATOM 0 HA LEU A 77 -3.170 -7.330 2.972 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.296 -7.083 0.723 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.893 -6.071 1.002 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.578 -8.344 0.572 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.697 -9.695 -1.158 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -2.583 -9.735 0.385 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -3.175 -8.724 -0.955 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.395 -7.700 -1.799 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.824 -6.653 -1.621 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.332 -6.283 -0.724 1.00 0.00 H new ATOM 1143 N GLN A 78 -0.728 -9.476 2.602 1.00 0.00 N ATOM 1144 CA GLN A 78 -0.366 -10.887 2.673 1.00 0.00 C ATOM 1145 C GLN A 78 -0.476 -11.413 4.101 1.00 0.00 C ATOM 1146 O GLN A 78 -0.754 -12.591 4.320 1.00 0.00 O ATOM 1147 CB GLN A 78 1.056 -11.097 2.151 1.00 0.00 C ATOM 1148 CG GLN A 78 1.270 -12.454 1.498 1.00 0.00 C ATOM 1149 CD GLN A 78 0.826 -12.480 0.049 1.00 0.00 C ATOM 1150 OE1 GLN A 78 -0.156 -11.837 -0.323 1.00 0.00 O ATOM 1151 NE2 GLN A 78 1.550 -13.225 -0.778 1.00 0.00 N ATOM 0 H GLN A 78 0.069 -8.841 2.562 1.00 0.00 H new ATOM 0 HA GLN A 78 -1.064 -11.443 2.048 1.00 0.00 H new ATOM 0 HB2 GLN A 78 1.288 -10.315 1.428 1.00 0.00 H new ATOM 0 HB3 GLN A 78 1.758 -10.986 2.978 1.00 0.00 H new ATOM 0 HG2 GLN A 78 2.326 -12.718 1.555 1.00 0.00 H new ATOM 0 HG3 GLN A 78 0.721 -13.212 2.056 1.00 0.00 H new ATOM 0 HE21 GLN A 78 2.356 -13.741 -0.426 1.00 0.00 H new ATOM 0 HE22 GLN A 78 1.300 -13.281 -1.765 1.00 0.00 H new ATOM 1160 N GLN A 79 -0.254 -10.531 5.071 1.00 0.00 N ATOM 1161 CA GLN A 79 -0.325 -10.906 6.479 1.00 0.00 C ATOM 1162 C GLN A 79 -1.717 -11.421 6.846 1.00 0.00 C ATOM 1163 O GLN A 79 -1.887 -12.099 7.858 1.00 0.00 O ATOM 1164 CB GLN A 79 0.040 -9.714 7.365 1.00 0.00 C ATOM 1165 CG GLN A 79 1.539 -9.518 7.532 1.00 0.00 C ATOM 1166 CD GLN A 79 1.951 -9.376 8.985 1.00 0.00 C ATOM 1167 OE1 GLN A 79 1.363 -8.598 9.734 1.00 0.00 O ATOM 1168 NE2 GLN A 79 2.964 -10.133 9.388 1.00 0.00 N ATOM 0 H GLN A 79 -0.023 -9.551 4.907 1.00 0.00 H new ATOM 0 HA GLN A 79 0.391 -11.710 6.647 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -0.391 -8.809 6.938 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -0.412 -9.850 8.347 1.00 0.00 H new ATOM 0 HG2 GLN A 79 2.064 -10.365 7.091 1.00 0.00 H new ATOM 0 HG3 GLN A 79 1.849 -8.629 6.982 1.00 0.00 H new ATOM 0 HE21 GLN A 79 3.422 -10.764 8.731 1.00 0.00 H new ATOM 0 HE22 GLN A 79 3.285 -10.083 10.355 1.00 0.00 H new ATOM 1177 N THR A 80 -2.709 -11.092 6.022 1.00 0.00 N ATOM 1178 CA THR A 80 -4.084 -11.522 6.266 1.00 0.00 C ATOM 1179 C THR A 80 -4.153 -13.019 6.559 1.00 0.00 C ATOM 1180 O THR A 80 -4.956 -13.463 7.380 1.00 0.00 O ATOM 1181 CB THR A 80 -4.963 -11.190 5.059 1.00 0.00 C ATOM 1182 OG1 THR A 80 -4.310 -11.540 3.853 1.00 0.00 O ATOM 1183 CG2 THR A 80 -5.334 -9.726 4.972 1.00 0.00 C ATOM 0 H THR A 80 -2.587 -10.529 5.180 1.00 0.00 H new ATOM 0 HA THR A 80 -4.452 -10.985 7.141 1.00 0.00 H new ATOM 0 HB THR A 80 -5.875 -11.771 5.198 1.00 0.00 H new ATOM 0 HG1 THR A 80 -4.142 -10.731 3.326 1.00 0.00 H new ATOM 0 HG21 THR A 80 -5.958 -9.560 4.093 1.00 0.00 H new ATOM 0 HG22 THR A 80 -5.884 -9.436 5.867 1.00 0.00 H new ATOM 0 HG23 THR A 80 -4.428 -9.125 4.892 1.00 0.00 H new ATOM 1191 N GLN A 81 -3.306 -13.790 5.885 1.00 0.00 N ATOM 1192 CA GLN A 81 -3.275 -15.236 6.077 1.00 0.00 C ATOM 1193 C GLN A 81 -2.932 -15.584 7.522 1.00 0.00 C ATOM 1194 O GLN A 81 -2.353 -14.773 8.246 1.00 0.00 O ATOM 1195 CB GLN A 81 -2.257 -15.875 5.130 1.00 0.00 C ATOM 1196 CG GLN A 81 -2.719 -17.203 4.550 1.00 0.00 C ATOM 1197 CD GLN A 81 -1.940 -18.382 5.099 1.00 0.00 C ATOM 1198 OE1 GLN A 81 -0.819 -18.230 5.582 1.00 0.00 O ATOM 1199 NE2 GLN A 81 -2.534 -19.568 5.025 1.00 0.00 N ATOM 0 H GLN A 81 -2.634 -13.439 5.203 1.00 0.00 H new ATOM 0 HA GLN A 81 -4.266 -15.630 5.852 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -2.048 -15.184 4.313 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -1.320 -16.028 5.666 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -3.779 -17.340 4.766 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -2.615 -17.177 3.465 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -3.465 -19.647 4.616 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -2.059 -20.399 5.377 1.00 0.00 H new ATOM 1208 N SER A 82 -3.294 -16.793 7.936 1.00 0.00 N ATOM 1209 CA SER A 82 -3.026 -17.248 9.295 1.00 0.00 C ATOM 1210 C SER A 82 -1.893 -18.270 9.316 1.00 0.00 C ATOM 1211 O SER A 82 -2.025 -19.369 8.774 1.00 0.00 O ATOM 1212 CB SER A 82 -4.287 -17.853 9.912 1.00 0.00 C ATOM 1213 OG SER A 82 -4.069 -18.221 11.262 1.00 0.00 O ATOM 0 H SER A 82 -3.774 -17.476 7.350 1.00 0.00 H new ATOM 0 HA SER A 82 -2.721 -16.384 9.885 1.00 0.00 H new ATOM 0 HB2 SER A 82 -5.104 -17.134 9.855 1.00 0.00 H new ATOM 0 HB3 SER A 82 -4.592 -18.728 9.338 1.00 0.00 H new ATOM 0 HG SER A 82 -4.891 -18.604 11.634 1.00 0.00 H new ATOM 1219 N LEU A 83 -0.782 -17.903 9.944 1.00 0.00 N ATOM 1220 CA LEU A 83 0.374 -18.787 10.037 1.00 0.00 C ATOM 1221 C LEU A 83 0.385 -19.533 11.366 1.00 0.00 C ATOM 1222 O LEU A 83 -0.368 -19.203 12.282 1.00 0.00 O ATOM 1223 CB LEU A 83 1.669 -17.987 9.880 1.00 0.00 C ATOM 1224 CG LEU A 83 1.707 -17.039 8.682 1.00 0.00 C ATOM 1225 CD1 LEU A 83 2.814 -16.010 8.849 1.00 0.00 C ATOM 1226 CD2 LEU A 83 1.895 -17.821 7.391 1.00 0.00 C ATOM 0 H LEU A 83 -0.657 -16.998 10.397 1.00 0.00 H new ATOM 0 HA LEU A 83 0.305 -19.518 9.231 1.00 0.00 H new ATOM 0 HB2 LEU A 83 1.831 -17.406 10.788 1.00 0.00 H new ATOM 0 HB3 LEU A 83 2.501 -18.686 9.796 1.00 0.00 H new ATOM 0 HG LEU A 83 0.754 -16.512 8.630 1.00 0.00 H new ATOM 0 HD11 LEU A 83 2.825 -15.344 7.986 1.00 0.00 H new ATOM 0 HD12 LEU A 83 2.637 -15.429 9.754 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.775 -16.519 8.927 1.00 0.00 H new ATOM 0 HD21 LEU A 83 1.920 -17.131 6.548 1.00 0.00 H new ATOM 0 HD22 LEU A 83 2.833 -18.375 7.434 1.00 0.00 H new ATOM 0 HD23 LEU A 83 1.067 -18.519 7.264 1.00 0.00 H new ATOM 1238 N HIS A 84 1.242 -20.544 11.464 1.00 0.00 N ATOM 1239 CA HIS A 84 1.354 -21.340 12.682 1.00 0.00 C ATOM 1240 C HIS A 84 2.380 -20.748 13.647 1.00 0.00 C ATOM 1241 O HIS A 84 2.649 -21.318 14.704 1.00 0.00 O ATOM 1242 CB HIS A 84 1.734 -22.783 12.342 1.00 0.00 C ATOM 1243 CG HIS A 84 2.850 -22.895 11.350 1.00 0.00 C ATOM 1244 ND1 HIS A 84 2.749 -23.624 10.183 1.00 0.00 N ATOM 1245 CD2 HIS A 84 4.097 -22.367 11.354 1.00 0.00 C ATOM 1246 CE1 HIS A 84 3.885 -23.540 9.515 1.00 0.00 C ATOM 1247 NE2 HIS A 84 4.719 -22.783 10.203 1.00 0.00 N ATOM 0 H HIS A 84 1.870 -20.832 10.714 1.00 0.00 H new ATOM 0 HA HIS A 84 0.381 -21.329 13.173 1.00 0.00 H new ATOM 0 HB2 HIS A 84 2.021 -23.299 13.258 1.00 0.00 H new ATOM 0 HB3 HIS A 84 0.857 -23.297 11.948 1.00 0.00 H new ATOM 0 HD2 HIS A 84 4.523 -21.736 12.120 1.00 0.00 H new ATOM 0 HE1 HIS A 84 4.096 -24.011 8.566 1.00 0.00 H new ATOM 0 HE2 HIS A 84 5.671 -22.546 9.925 1.00 0.00 H new ATOM 1256 N SER A 85 2.953 -19.601 13.283 1.00 0.00 N ATOM 1257 CA SER A 85 3.946 -18.944 14.123 1.00 0.00 C ATOM 1258 C SER A 85 3.427 -17.601 14.627 1.00 0.00 C ATOM 1259 O SER A 85 3.288 -16.650 13.860 1.00 0.00 O ATOM 1260 CB SER A 85 5.249 -18.742 13.347 1.00 0.00 C ATOM 1261 OG SER A 85 6.092 -17.807 13.998 1.00 0.00 O ATOM 0 H SER A 85 2.745 -19.111 12.413 1.00 0.00 H new ATOM 0 HA SER A 85 4.140 -19.585 14.983 1.00 0.00 H new ATOM 0 HB2 SER A 85 5.768 -19.695 13.247 1.00 0.00 H new ATOM 0 HB3 SER A 85 5.025 -18.394 12.339 1.00 0.00 H new ATOM 0 HG SER A 85 6.918 -17.697 13.483 1.00 0.00 H new ATOM 1267 N LEU A 86 3.143 -17.533 15.924 1.00 0.00 N ATOM 1268 CA LEU A 86 2.638 -16.308 16.534 1.00 0.00 C ATOM 1269 C LEU A 86 3.669 -15.188 16.439 1.00 0.00 C ATOM 1270 O LEU A 86 4.488 -15.007 17.340 1.00 0.00 O ATOM 1271 CB LEU A 86 2.263 -16.560 17.997 1.00 0.00 C ATOM 1272 CG LEU A 86 0.779 -16.391 18.325 1.00 0.00 C ATOM 1273 CD1 LEU A 86 0.382 -17.291 19.485 1.00 0.00 C ATOM 1274 CD2 LEU A 86 0.466 -14.936 18.644 1.00 0.00 C ATOM 0 H LEU A 86 3.254 -18.312 16.573 1.00 0.00 H new ATOM 0 HA LEU A 86 1.746 -15.998 15.989 1.00 0.00 H new ATOM 0 HB2 LEU A 86 2.565 -17.573 18.264 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.838 -15.880 18.626 1.00 0.00 H new ATOM 0 HG LEU A 86 0.198 -16.684 17.451 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -0.677 -17.157 19.704 1.00 0.00 H new ATOM 0 HD12 LEU A 86 0.569 -18.331 19.219 1.00 0.00 H new ATOM 0 HD13 LEU A 86 0.970 -17.031 20.365 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -0.594 -14.834 18.875 1.00 0.00 H new ATOM 0 HD22 LEU A 86 1.057 -14.617 19.503 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.711 -14.314 17.783 1.00 0.00 H new ATOM 1286 N ARG A 87 3.621 -14.436 15.343 1.00 0.00 N ATOM 1287 CA ARG A 87 4.551 -13.332 15.131 1.00 0.00 C ATOM 1288 C ARG A 87 5.995 -13.824 15.150 1.00 0.00 C ATOM 1289 CB ARG A 87 4.351 -12.256 16.199 1.00 0.00 C ATOM 1290 CG ARG A 87 3.097 -11.421 15.995 1.00 0.00 C ATOM 1291 CD ARG A 87 2.862 -10.474 17.160 1.00 0.00 C ATOM 1292 NE ARG A 87 1.669 -9.653 16.966 1.00 0.00 N ATOM 1293 CZ ARG A 87 1.054 -8.995 17.945 1.00 0.00 C ATOM 1294 NH1 ARG A 87 1.512 -9.061 19.189 1.00 0.00 N ATOM 1295 NH2 ARG A 87 -0.023 -8.268 17.679 1.00 0.00 N ATOM 0 H ARG A 87 2.948 -14.571 14.588 1.00 0.00 H new ATOM 0 HA ARG A 87 4.347 -12.902 14.150 1.00 0.00 H new ATOM 0 HB2 ARG A 87 4.305 -12.732 17.178 1.00 0.00 H new ATOM 0 HB3 ARG A 87 5.219 -11.597 16.206 1.00 0.00 H new ATOM 0 HG2 ARG A 87 3.186 -10.848 15.072 1.00 0.00 H new ATOM 0 HG3 ARG A 87 2.235 -12.079 15.880 1.00 0.00 H new ATOM 0 HD2 ARG A 87 2.760 -11.049 18.080 1.00 0.00 H new ATOM 0 HD3 ARG A 87 3.731 -9.828 17.283 1.00 0.00 H new ATOM 0 HE ARG A 87 1.285 -9.580 16.024 1.00 0.00 H new ATOM 0 HH11 ARG A 87 2.340 -9.619 19.399 1.00 0.00 H new ATOM 0 HH12 ARG A 87 1.036 -8.554 19.935 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -0.379 -8.214 16.725 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -0.495 -7.763 18.429 1.00 0.00 H new TER 1309 ARG A 87