USER MOD reduce.3.24.130724 H: found=0, std=0, add=662, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 661 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 45 MET CE :methyl -168:sc= -3.46! (180deg=-2.62!) USER MOD Set 1.2: A 50 GLN : amide:sc= -2.25 X(o=-5.7,f=-6.1) USER MOD Single : A 1 MET CE :methyl -178:sc= 0 (180deg=-0.00351) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ -156:sc= -1.45 (180deg=-2.69!) USER MOD Single : A 11 GLN : amide:sc= -0.0395 X(o=-0.039,f=-0.18) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.219 USER MOD Single : A 16 GLN : amide:sc= -1.25 K(o=-1.2,f=-8!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0258) USER MOD Single : A 35 CYS SG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= -0.224 USER MOD Single : A 38 THR OG1 : rot -170:sc= -0.936 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 159:sc= -0.0428 (180deg=-0.349) USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -0.104 K(o=-0.1,f=1) USER MOD Single : A 53 THR OG1 : rot -91:sc= 0.0336 USER MOD Single : A 58 GLN : amide:sc= -0.688 K(o=-0.69,f=-0.031) USER MOD Single : A 60 MET CE :methyl -168:sc= 0 (180deg=-0.0266) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl 154:sc= -1.59 (180deg=-3.78!) USER MOD Single : A 81 MET CE :methyl 136:sc= -0.697 (180deg=-1.76) USER MOD Single : A 84 CYS SG : rot -30:sc= 0.0523 USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.109) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.018 0.085 0.895 1.00 70.22 N ATOM 2 CA MET A 1 4.209 0.455 0.139 1.00 71.32 C ATOM 3 C MET A 1 4.915 -0.784 -0.403 1.00 42.02 C ATOM 4 O MET A 1 6.014 -1.125 0.035 1.00 42.13 O ATOM 5 CB MET A 1 5.168 1.259 1.018 1.00 1.03 C ATOM 6 CG MET A 1 4.811 2.733 1.116 1.00 1.33 C ATOM 7 SD MET A 1 6.128 3.720 1.853 1.00 25.52 S ATOM 8 CE MET A 1 6.005 3.221 3.569 1.00 11.32 C ATOM 0 H1 MET A 1 2.554 0.944 1.254 1.00 70.22 H new ATOM 0 H2 MET A 1 2.360 -0.431 0.276 1.00 70.22 H new ATOM 0 H3 MET A 1 3.289 -0.522 1.695 1.00 70.22 H new ATOM 0 HA MET A 1 3.897 1.072 -0.704 1.00 71.32 H new ATOM 0 HB2 MET A 1 5.178 0.829 2.019 1.00 1.03 H new ATOM 0 HB3 MET A 1 6.178 1.164 0.621 1.00 1.03 H new ATOM 0 HG2 MET A 1 4.589 3.116 0.120 1.00 1.33 H new ATOM 0 HG3 MET A 1 3.904 2.844 1.709 1.00 1.33 H new ATOM 0 HE1 MET A 1 6.734 3.774 4.162 1.00 11.32 H new ATOM 0 HE2 MET A 1 5.002 3.433 3.938 1.00 11.32 H new ATOM 0 HE3 MET A 1 6.205 2.153 3.652 1.00 11.32 H new ATOM 18 N ASP A 2 4.277 -1.453 -1.357 1.00 64.22 N ATOM 19 CA ASP A 2 4.845 -2.654 -1.959 1.00 43.24 C ATOM 20 C ASP A 2 5.878 -2.292 -3.023 1.00 33.23 C ATOM 21 O ASP A 2 5.601 -2.364 -4.220 1.00 41.42 O ATOM 22 CB ASP A 2 3.740 -3.513 -2.575 1.00 60.03 C ATOM 23 CG ASP A 2 2.704 -3.942 -1.555 1.00 71.01 C ATOM 24 OD1 ASP A 2 2.906 -4.992 -0.909 1.00 1.42 O ATOM 25 OD2 ASP A 2 1.691 -3.228 -1.402 1.00 42.23 O ATOM 0 H ASP A 2 3.367 -1.184 -1.730 1.00 64.22 H new ATOM 0 HA ASP A 2 5.342 -3.224 -1.174 1.00 43.24 H new ATOM 0 HB2 ASP A 2 3.251 -2.953 -3.372 1.00 60.03 H new ATOM 0 HB3 ASP A 2 4.184 -4.398 -3.032 1.00 60.03 H new ATOM 30 N ASP A 3 7.067 -1.903 -2.577 1.00 20.01 N ATOM 31 CA ASP A 3 8.141 -1.530 -3.490 1.00 2.11 C ATOM 32 C ASP A 3 8.553 -2.715 -4.358 1.00 13.10 C ATOM 33 O ASP A 3 9.092 -2.538 -5.451 1.00 25.44 O ATOM 34 CB ASP A 3 9.348 -1.012 -2.707 1.00 24.15 C ATOM 35 CG ASP A 3 8.979 0.095 -1.739 1.00 21.24 C ATOM 36 OD1 ASP A 3 8.017 0.837 -2.026 1.00 43.21 O ATOM 37 OD2 ASP A 3 9.652 0.219 -0.694 1.00 4.20 O ATOM 0 H ASP A 3 7.312 -1.838 -1.589 1.00 20.01 H new ATOM 0 HA ASP A 3 7.772 -0.737 -4.141 1.00 2.11 H new ATOM 0 HB2 ASP A 3 9.801 -1.836 -2.156 1.00 24.15 H new ATOM 0 HB3 ASP A 3 10.100 -0.644 -3.405 1.00 24.15 H new ATOM 42 N ILE A 4 8.295 -3.921 -3.864 1.00 61.21 N ATOM 43 CA ILE A 4 8.639 -5.135 -4.595 1.00 12.31 C ATOM 44 C ILE A 4 7.866 -5.224 -5.907 1.00 4.23 C ATOM 45 O ILE A 4 8.396 -5.678 -6.921 1.00 51.23 O ATOM 46 CB ILE A 4 8.354 -6.396 -3.758 1.00 0.32 C ATOM 47 CG1 ILE A 4 8.710 -7.653 -4.553 1.00 23.40 C ATOM 48 CG2 ILE A 4 6.894 -6.429 -3.330 1.00 5.23 C ATOM 49 CD1 ILE A 4 9.447 -8.694 -3.739 1.00 73.33 C ATOM 0 H ILE A 4 7.849 -4.084 -2.961 1.00 61.21 H new ATOM 0 HA ILE A 4 9.707 -5.084 -4.808 1.00 12.31 H new ATOM 0 HB ILE A 4 8.974 -6.368 -2.862 1.00 0.32 H new ATOM 0 HG12 ILE A 4 7.795 -8.094 -4.949 1.00 23.40 H new ATOM 0 HG13 ILE A 4 9.324 -7.371 -5.408 1.00 23.40 H new ATOM 0 HG21 ILE A 4 6.708 -7.326 -2.739 1.00 5.23 H new ATOM 0 HG22 ILE A 4 6.671 -5.547 -2.730 1.00 5.23 H new ATOM 0 HG23 ILE A 4 6.256 -6.438 -4.214 1.00 5.23 H new ATOM 0 HD11 ILE A 4 9.667 -9.558 -4.366 1.00 73.33 H new ATOM 0 HD12 ILE A 4 10.379 -8.270 -3.365 1.00 73.33 H new ATOM 0 HD13 ILE A 4 8.826 -9.005 -2.899 1.00 73.33 H new ATOM 61 N TYR A 5 6.613 -4.786 -5.879 1.00 74.13 N ATOM 62 CA TYR A 5 5.766 -4.817 -7.066 1.00 42.32 C ATOM 63 C TYR A 5 5.999 -3.583 -7.933 1.00 62.44 C ATOM 64 O TYR A 5 6.128 -3.683 -9.154 1.00 2.42 O ATOM 65 CB TYR A 5 4.293 -4.901 -6.665 1.00 75.13 C ATOM 66 CG TYR A 5 3.934 -6.179 -5.940 1.00 44.42 C ATOM 67 CD1 TYR A 5 4.339 -7.415 -6.429 1.00 14.24 C ATOM 68 CD2 TYR A 5 3.192 -6.149 -4.766 1.00 24.13 C ATOM 69 CE1 TYR A 5 4.013 -8.584 -5.770 1.00 32.43 C ATOM 70 CE2 TYR A 5 2.863 -7.314 -4.099 1.00 43.42 C ATOM 71 CZ TYR A 5 3.275 -8.529 -4.605 1.00 44.34 C ATOM 72 OH TYR A 5 2.950 -9.691 -3.945 1.00 61.43 O ATOM 0 H TYR A 5 6.161 -4.405 -5.048 1.00 74.13 H new ATOM 0 HA TYR A 5 6.029 -5.702 -7.646 1.00 42.32 H new ATOM 0 HB2 TYR A 5 4.050 -4.051 -6.027 1.00 75.13 H new ATOM 0 HB3 TYR A 5 3.676 -4.815 -7.560 1.00 75.13 H new ATOM 0 HD1 TYR A 5 4.918 -7.462 -7.339 1.00 14.24 H new ATOM 0 HD2 TYR A 5 2.867 -5.199 -4.368 1.00 24.13 H new ATOM 0 HE1 TYR A 5 4.334 -9.537 -6.164 1.00 32.43 H new ATOM 0 HE2 TYR A 5 2.287 -7.273 -3.187 1.00 43.42 H new ATOM 0 HH TYR A 5 2.429 -9.477 -3.143 1.00 61.43 H new ATOM 82 N LYS A 6 6.053 -2.420 -7.294 1.00 33.03 N ATOM 83 CA LYS A 6 6.272 -1.165 -8.003 1.00 60.44 C ATOM 84 C LYS A 6 7.622 -1.171 -8.714 1.00 73.22 C ATOM 85 O LYS A 6 7.816 -0.464 -9.702 1.00 43.22 O ATOM 86 CB LYS A 6 6.201 0.014 -7.031 1.00 20.24 C ATOM 87 CG LYS A 6 4.795 0.550 -6.826 1.00 74.21 C ATOM 88 CD LYS A 6 3.979 -0.357 -5.920 1.00 13.31 C ATOM 89 CE LYS A 6 3.878 0.208 -4.511 1.00 65.30 C ATOM 90 NZ LYS A 6 5.218 0.535 -3.948 1.00 53.11 N ATOM 0 H LYS A 6 5.948 -2.320 -6.284 1.00 33.03 H new ATOM 0 HA LYS A 6 5.487 -1.058 -8.751 1.00 60.44 H new ATOM 0 HB2 LYS A 6 6.607 -0.295 -6.068 1.00 20.24 H new ATOM 0 HB3 LYS A 6 6.837 0.818 -7.401 1.00 20.24 H new ATOM 0 HG2 LYS A 6 4.845 1.549 -6.393 1.00 74.21 H new ATOM 0 HG3 LYS A 6 4.297 0.646 -7.791 1.00 74.21 H new ATOM 0 HD2 LYS A 6 2.979 -0.483 -6.335 1.00 13.31 H new ATOM 0 HD3 LYS A 6 4.437 -1.346 -5.885 1.00 13.31 H new ATOM 0 HE2 LYS A 6 3.260 1.106 -4.523 1.00 65.30 H new ATOM 0 HE3 LYS A 6 3.379 -0.514 -3.865 1.00 65.30 H new ATOM 0 HZ1 LYS A 6 5.171 0.522 -2.909 1.00 53.11 H new ATOM 0 HZ2 LYS A 6 5.912 -0.169 -4.272 1.00 53.11 H new ATOM 0 HZ3 LYS A 6 5.508 1.480 -4.270 1.00 53.11 H new ATOM 104 N ALA A 7 8.550 -1.975 -8.205 1.00 52.25 N ATOM 105 CA ALA A 7 9.880 -2.075 -8.794 1.00 55.01 C ATOM 106 C ALA A 7 9.816 -2.669 -10.197 1.00 75.20 C ATOM 107 O ALA A 7 10.233 -2.039 -11.168 1.00 14.30 O ATOM 108 CB ALA A 7 10.788 -2.911 -7.906 1.00 25.24 C ATOM 0 H ALA A 7 8.405 -2.566 -7.387 1.00 52.25 H new ATOM 0 HA ALA A 7 10.292 -1.069 -8.872 1.00 55.01 H new ATOM 0 HB1 ALA A 7 11.778 -2.978 -8.358 1.00 25.24 H new ATOM 0 HB2 ALA A 7 10.868 -2.444 -6.925 1.00 25.24 H new ATOM 0 HB3 ALA A 7 10.370 -3.912 -7.798 1.00 25.24 H new ATOM 114 N ALA A 8 9.291 -3.886 -10.296 1.00 23.54 N ATOM 115 CA ALA A 8 9.172 -4.565 -11.580 1.00 71.11 C ATOM 116 C ALA A 8 8.288 -3.775 -12.539 1.00 13.55 C ATOM 117 O ALA A 8 8.484 -3.811 -13.753 1.00 40.23 O ATOM 118 CB ALA A 8 8.619 -5.969 -11.386 1.00 24.32 C ATOM 0 H ALA A 8 8.941 -4.422 -9.502 1.00 23.54 H new ATOM 0 HA ALA A 8 10.167 -4.636 -12.019 1.00 71.11 H new ATOM 0 HB1 ALA A 8 8.536 -6.464 -12.353 1.00 24.32 H new ATOM 0 HB2 ALA A 8 9.290 -6.539 -10.743 1.00 24.32 H new ATOM 0 HB3 ALA A 8 7.634 -5.911 -10.922 1.00 24.32 H new ATOM 124 N VAL A 9 7.313 -3.061 -11.985 1.00 13.24 N ATOM 125 CA VAL A 9 6.398 -2.261 -12.791 1.00 1.25 C ATOM 126 C VAL A 9 7.135 -1.129 -13.498 1.00 2.04 C ATOM 127 O VAL A 9 6.917 -0.878 -14.682 1.00 72.43 O ATOM 128 CB VAL A 9 5.268 -1.664 -11.931 1.00 74.51 C ATOM 129 CG1 VAL A 9 4.394 -0.739 -12.765 1.00 23.23 C ATOM 130 CG2 VAL A 9 4.436 -2.772 -11.302 1.00 23.21 C ATOM 0 H VAL A 9 7.136 -3.020 -10.981 1.00 13.24 H new ATOM 0 HA VAL A 9 5.964 -2.929 -13.535 1.00 1.25 H new ATOM 0 HB VAL A 9 5.716 -1.077 -11.130 1.00 74.51 H new ATOM 0 HG11 VAL A 9 3.601 -0.327 -12.141 1.00 23.23 H new ATOM 0 HG12 VAL A 9 5.001 0.073 -13.164 1.00 23.23 H new ATOM 0 HG13 VAL A 9 3.952 -1.300 -13.589 1.00 23.23 H new ATOM 0 HG21 VAL A 9 3.642 -2.333 -10.698 1.00 23.21 H new ATOM 0 HG22 VAL A 9 3.996 -3.387 -12.087 1.00 23.21 H new ATOM 0 HG23 VAL A 9 5.073 -3.391 -10.670 1.00 23.21 H new ATOM 140 N GLU A 10 8.009 -0.449 -12.762 1.00 43.12 N ATOM 141 CA GLU A 10 8.779 0.657 -13.320 1.00 13.11 C ATOM 142 C GLU A 10 9.742 0.162 -14.395 1.00 2.22 C ATOM 143 O GLU A 10 10.177 0.929 -15.253 1.00 54.43 O ATOM 144 CB GLU A 10 9.556 1.376 -12.215 1.00 34.53 C ATOM 145 CG GLU A 10 8.909 2.674 -11.762 1.00 5.11 C ATOM 146 CD GLU A 10 9.714 3.896 -12.160 1.00 63.01 C ATOM 147 OE1 GLU A 10 10.055 4.019 -13.355 1.00 2.00 O ATOM 148 OE2 GLU A 10 10.003 4.729 -11.276 1.00 12.51 O ATOM 0 H GLU A 10 8.201 -0.644 -11.779 1.00 43.12 H new ATOM 0 HA GLU A 10 8.080 1.358 -13.777 1.00 13.11 H new ATOM 0 HB2 GLU A 10 9.653 0.710 -11.358 1.00 34.53 H new ATOM 0 HB3 GLU A 10 10.565 1.587 -12.570 1.00 34.53 H new ATOM 0 HG2 GLU A 10 7.909 2.746 -12.191 1.00 5.11 H new ATOM 0 HG3 GLU A 10 8.791 2.658 -10.679 1.00 5.11 H new ATOM 155 N GLN A 11 10.071 -1.124 -14.339 1.00 64.31 N ATOM 156 CA GLN A 11 10.984 -1.721 -15.307 1.00 22.32 C ATOM 157 C GLN A 11 10.234 -2.176 -16.554 1.00 40.45 C ATOM 158 O GLN A 11 10.839 -2.647 -17.518 1.00 40.24 O ATOM 159 CB GLN A 11 11.721 -2.907 -14.681 1.00 1.55 C ATOM 160 CG GLN A 11 12.329 -2.596 -13.322 1.00 72.11 C ATOM 161 CD GLN A 11 13.762 -3.075 -13.201 1.00 31.23 C ATOM 162 OE1 GLN A 11 14.588 -2.828 -14.080 1.00 72.51 O ATOM 163 NE2 GLN A 11 14.065 -3.764 -12.107 1.00 24.40 N ATOM 0 H GLN A 11 9.720 -1.772 -13.634 1.00 64.31 H new ATOM 0 HA GLN A 11 11.711 -0.963 -15.598 1.00 22.32 H new ATOM 0 HB2 GLN A 11 11.028 -3.742 -14.577 1.00 1.55 H new ATOM 0 HB3 GLN A 11 12.511 -3.232 -15.358 1.00 1.55 H new ATOM 0 HG2 GLN A 11 12.294 -1.520 -13.150 1.00 72.11 H new ATOM 0 HG3 GLN A 11 11.727 -3.063 -12.543 1.00 72.11 H new ATOM 0 HE21 GLN A 11 13.349 -3.946 -11.404 1.00 24.40 H new ATOM 0 HE22 GLN A 11 15.014 -4.112 -11.970 1.00 24.40 H new ATOM 172 N LEU A 12 8.914 -2.031 -16.530 1.00 73.50 N ATOM 173 CA LEU A 12 8.080 -2.427 -17.660 1.00 32.44 C ATOM 174 C LEU A 12 8.309 -1.508 -18.855 1.00 3.44 C ATOM 175 O LEU A 12 9.006 -0.497 -18.750 1.00 60.54 O ATOM 176 CB LEU A 12 6.603 -2.406 -17.261 1.00 41.31 C ATOM 177 CG LEU A 12 6.169 -3.454 -16.236 1.00 2.45 C ATOM 178 CD1 LEU A 12 4.704 -3.269 -15.871 1.00 63.30 C ATOM 179 CD2 LEU A 12 6.415 -4.857 -16.770 1.00 42.12 C ATOM 0 H LEU A 12 8.398 -1.642 -15.741 1.00 73.50 H new ATOM 0 HA LEU A 12 8.358 -3.441 -17.947 1.00 32.44 H new ATOM 0 HB2 LEU A 12 6.369 -1.419 -16.863 1.00 41.31 H new ATOM 0 HB3 LEU A 12 6.002 -2.537 -18.161 1.00 41.31 H new ATOM 0 HG LEU A 12 6.766 -3.321 -15.334 1.00 2.45 H new ATOM 0 HD11 LEU A 12 4.413 -4.024 -15.140 1.00 63.30 H new ATOM 0 HD12 LEU A 12 4.558 -2.276 -15.445 1.00 63.30 H new ATOM 0 HD13 LEU A 12 4.090 -3.374 -16.766 1.00 63.30 H new ATOM 0 HD21 LEU A 12 6.100 -5.590 -16.027 1.00 42.12 H new ATOM 0 HD22 LEU A 12 5.844 -5.002 -17.687 1.00 42.12 H new ATOM 0 HD23 LEU A 12 7.477 -4.986 -16.979 1.00 42.12 H new ATOM 191 N THR A 13 7.717 -1.863 -19.991 1.00 13.44 N ATOM 192 CA THR A 13 7.855 -1.069 -21.205 1.00 64.33 C ATOM 193 C THR A 13 6.689 -0.101 -21.366 1.00 1.14 C ATOM 194 O THR A 13 5.662 -0.237 -20.701 1.00 63.14 O ATOM 195 CB THR A 13 7.939 -1.966 -22.455 1.00 40.32 C ATOM 196 OG1 THR A 13 8.177 -1.164 -23.618 1.00 35.22 O ATOM 197 CG2 THR A 13 6.656 -2.763 -22.636 1.00 62.01 C ATOM 0 H THR A 13 7.137 -2.696 -20.095 1.00 13.44 H new ATOM 0 HA THR A 13 8.782 -0.503 -21.109 1.00 64.33 H new ATOM 0 HB THR A 13 8.765 -2.664 -22.320 1.00 40.32 H new ATOM 0 HG1 THR A 13 8.231 -1.741 -24.408 1.00 35.22 H new ATOM 0 HG21 THR A 13 6.739 -3.389 -23.525 1.00 62.01 H new ATOM 0 HG22 THR A 13 6.493 -3.394 -21.762 1.00 62.01 H new ATOM 0 HG23 THR A 13 5.816 -2.078 -22.751 1.00 62.01 H new ATOM 205 N GLU A 14 6.855 0.876 -22.252 1.00 13.34 N ATOM 206 CA GLU A 14 5.814 1.868 -22.498 1.00 20.40 C ATOM 207 C GLU A 14 4.495 1.193 -22.863 1.00 61.51 C ATOM 208 O GLU A 14 3.420 1.687 -22.528 1.00 14.52 O ATOM 209 CB GLU A 14 6.240 2.819 -23.618 1.00 51.01 C ATOM 210 CG GLU A 14 7.424 3.698 -23.253 1.00 11.45 C ATOM 211 CD GLU A 14 7.727 4.739 -24.313 1.00 62.10 C ATOM 212 OE1 GLU A 14 7.757 4.376 -25.508 1.00 3.13 O ATOM 213 OE2 GLU A 14 7.935 5.915 -23.949 1.00 14.12 O ATOM 0 H GLU A 14 7.699 1.002 -22.811 1.00 13.34 H new ATOM 0 HA GLU A 14 5.668 2.440 -21.581 1.00 20.40 H new ATOM 0 HB2 GLU A 14 6.491 2.235 -24.503 1.00 51.01 H new ATOM 0 HB3 GLU A 14 5.395 3.454 -23.885 1.00 51.01 H new ATOM 0 HG2 GLU A 14 7.222 4.198 -22.306 1.00 11.45 H new ATOM 0 HG3 GLU A 14 8.303 3.072 -23.102 1.00 11.45 H new ATOM 220 N GLU A 15 4.588 0.060 -23.553 1.00 32.22 N ATOM 221 CA GLU A 15 3.402 -0.682 -23.965 1.00 21.22 C ATOM 222 C GLU A 15 2.633 -1.197 -22.751 1.00 43.31 C ATOM 223 O GLU A 15 1.403 -1.195 -22.738 1.00 32.05 O ATOM 224 CB GLU A 15 3.794 -1.853 -24.868 1.00 23.52 C ATOM 225 CG GLU A 15 4.746 -1.467 -25.987 1.00 45.20 C ATOM 226 CD GLU A 15 5.013 -2.610 -26.947 1.00 40.22 C ATOM 227 OE1 GLU A 15 4.067 -3.033 -27.644 1.00 43.33 O ATOM 228 OE2 GLU A 15 6.168 -3.081 -27.001 1.00 64.22 O ATOM 0 H GLU A 15 5.471 -0.363 -23.838 1.00 32.22 H new ATOM 0 HA GLU A 15 2.756 -0.003 -24.522 1.00 21.22 H new ATOM 0 HB2 GLU A 15 4.257 -2.630 -24.260 1.00 23.52 H new ATOM 0 HB3 GLU A 15 2.892 -2.284 -25.302 1.00 23.52 H new ATOM 0 HG2 GLU A 15 4.329 -0.624 -26.539 1.00 45.20 H new ATOM 0 HG3 GLU A 15 5.689 -1.131 -25.557 1.00 45.20 H new ATOM 235 N GLN A 16 3.369 -1.636 -21.735 1.00 73.41 N ATOM 236 CA GLN A 16 2.756 -2.155 -20.518 1.00 23.13 C ATOM 237 C GLN A 16 1.924 -1.080 -19.826 1.00 61.23 C ATOM 238 O GLN A 16 0.739 -1.275 -19.556 1.00 72.23 O ATOM 239 CB GLN A 16 3.832 -2.677 -19.563 1.00 74.01 C ATOM 240 CG GLN A 16 4.201 -4.133 -19.800 1.00 14.42 C ATOM 241 CD GLN A 16 3.316 -5.092 -19.028 1.00 2.22 C ATOM 242 OE1 GLN A 16 3.458 -5.246 -17.814 1.00 43.53 O ATOM 243 NE2 GLN A 16 2.396 -5.744 -19.729 1.00 11.42 N ATOM 0 H GLN A 16 4.389 -1.643 -21.730 1.00 73.41 H new ATOM 0 HA GLN A 16 2.096 -2.977 -20.796 1.00 23.13 H new ATOM 0 HB2 GLN A 16 4.726 -2.063 -19.666 1.00 74.01 H new ATOM 0 HB3 GLN A 16 3.482 -2.562 -18.537 1.00 74.01 H new ATOM 0 HG2 GLN A 16 4.128 -4.354 -20.865 1.00 14.42 H new ATOM 0 HG3 GLN A 16 5.240 -4.292 -19.512 1.00 14.42 H new ATOM 0 HE21 GLN A 16 2.313 -5.586 -20.733 1.00 11.42 H new ATOM 0 HE22 GLN A 16 1.772 -6.403 -19.263 1.00 11.42 H new ATOM 252 N LYS A 17 2.552 0.055 -19.541 1.00 45.45 N ATOM 253 CA LYS A 17 1.871 1.163 -18.882 1.00 71.11 C ATOM 254 C LYS A 17 0.698 1.658 -19.722 1.00 72.42 C ATOM 255 O LYS A 17 -0.361 1.990 -19.192 1.00 0.15 O ATOM 256 CB LYS A 17 2.849 2.312 -18.627 1.00 24.41 C ATOM 257 CG LYS A 17 4.128 1.878 -17.932 1.00 3.03 C ATOM 258 CD LYS A 17 3.843 1.263 -16.572 1.00 32.11 C ATOM 259 CE LYS A 17 5.098 1.199 -15.715 1.00 34.24 C ATOM 260 NZ LYS A 17 5.296 2.447 -14.928 1.00 11.35 N ATOM 0 H LYS A 17 3.533 0.232 -19.756 1.00 45.45 H new ATOM 0 HA LYS A 17 1.486 0.803 -17.928 1.00 71.11 H new ATOM 0 HB2 LYS A 17 3.103 2.780 -19.578 1.00 24.41 H new ATOM 0 HB3 LYS A 17 2.355 3.071 -18.020 1.00 24.41 H new ATOM 0 HG2 LYS A 17 4.655 1.156 -18.556 1.00 3.03 H new ATOM 0 HG3 LYS A 17 4.788 2.737 -17.813 1.00 3.03 H new ATOM 0 HD2 LYS A 17 3.080 1.849 -16.059 1.00 32.11 H new ATOM 0 HD3 LYS A 17 3.439 0.259 -16.703 1.00 32.11 H new ATOM 0 HE2 LYS A 17 5.031 0.348 -15.037 1.00 34.24 H new ATOM 0 HE3 LYS A 17 5.965 1.031 -16.353 1.00 34.24 H new ATOM 0 HZ1 LYS A 17 6.161 2.364 -14.357 1.00 11.35 H new ATOM 0 HZ2 LYS A 17 5.385 3.256 -15.576 1.00 11.35 H new ATOM 0 HZ3 LYS A 17 4.480 2.595 -14.300 1.00 11.35 H new ATOM 274 N ASN A 18 0.894 1.702 -21.036 1.00 71.11 N ATOM 275 CA ASN A 18 -0.149 2.155 -21.950 1.00 2.15 C ATOM 276 C ASN A 18 -1.318 1.175 -21.970 1.00 65.45 C ATOM 277 O ASN A 18 -2.479 1.579 -22.008 1.00 1.53 O ATOM 278 CB ASN A 18 0.418 2.321 -23.361 1.00 73.01 C ATOM 279 CG ASN A 18 -0.666 2.333 -24.421 1.00 75.04 C ATOM 280 OD1 ASN A 18 -1.489 3.248 -24.474 1.00 21.42 O ATOM 281 ND2 ASN A 18 -0.672 1.314 -25.273 1.00 34.11 N ATOM 0 H ASN A 18 1.765 1.430 -21.492 1.00 71.11 H new ATOM 0 HA ASN A 18 -0.514 3.120 -21.597 1.00 2.15 H new ATOM 0 HB2 ASN A 18 0.985 3.250 -23.415 1.00 73.01 H new ATOM 0 HB3 ASN A 18 1.115 1.509 -23.567 1.00 73.01 H new ATOM 0 HD21 ASN A 18 -1.378 1.268 -26.008 1.00 34.11 H new ATOM 0 HD22 ASN A 18 0.029 0.578 -25.192 1.00 34.11 H new ATOM 288 N GLU A 19 -1.001 -0.116 -21.946 1.00 24.23 N ATOM 289 CA GLU A 19 -2.025 -1.154 -21.962 1.00 62.01 C ATOM 290 C GLU A 19 -2.861 -1.114 -20.686 1.00 42.51 C ATOM 291 O GLU A 19 -4.080 -1.278 -20.724 1.00 54.22 O ATOM 292 CB GLU A 19 -1.382 -2.534 -22.120 1.00 50.41 C ATOM 293 CG GLU A 19 -1.218 -2.967 -23.567 1.00 53.43 C ATOM 294 CD GLU A 19 -1.103 -4.471 -23.717 1.00 23.25 C ATOM 295 OE1 GLU A 19 -0.200 -5.063 -23.089 1.00 1.34 O ATOM 296 OE2 GLU A 19 -1.916 -5.057 -24.462 1.00 10.03 O ATOM 0 H GLU A 19 -0.044 -0.468 -21.915 1.00 24.23 H new ATOM 0 HA GLU A 19 -2.681 -0.967 -22.812 1.00 62.01 H new ATOM 0 HB2 GLU A 19 -0.404 -2.527 -21.639 1.00 50.41 H new ATOM 0 HB3 GLU A 19 -1.990 -3.271 -21.596 1.00 50.41 H new ATOM 0 HG2 GLU A 19 -2.070 -2.612 -24.147 1.00 53.43 H new ATOM 0 HG3 GLU A 19 -0.329 -2.495 -23.985 1.00 53.43 H new ATOM 303 N PHE A 20 -2.196 -0.894 -19.557 1.00 23.23 N ATOM 304 CA PHE A 20 -2.876 -0.834 -18.268 1.00 51.53 C ATOM 305 C PHE A 20 -3.785 0.389 -18.190 1.00 53.44 C ATOM 306 O PHE A 20 -4.940 0.294 -17.774 1.00 72.34 O ATOM 307 CB PHE A 20 -1.855 -0.797 -17.130 1.00 23.04 C ATOM 308 CG PHE A 20 -0.985 -2.020 -17.065 1.00 11.01 C ATOM 309 CD1 PHE A 20 -1.512 -3.276 -17.320 1.00 14.50 C ATOM 310 CD2 PHE A 20 0.360 -1.914 -16.749 1.00 13.15 C ATOM 311 CE1 PHE A 20 -0.715 -4.403 -17.262 1.00 1.03 C ATOM 312 CE2 PHE A 20 1.162 -3.038 -16.689 1.00 42.52 C ATOM 313 CZ PHE A 20 0.624 -4.284 -16.945 1.00 1.31 C ATOM 0 H PHE A 20 -1.187 -0.754 -19.508 1.00 23.23 H new ATOM 0 HA PHE A 20 -3.490 -1.729 -18.167 1.00 51.53 H new ATOM 0 HB2 PHE A 20 -1.223 0.083 -17.248 1.00 23.04 H new ATOM 0 HB3 PHE A 20 -2.383 -0.685 -16.183 1.00 23.04 H new ATOM 0 HD1 PHE A 20 -2.559 -3.375 -17.567 1.00 14.50 H new ATOM 0 HD2 PHE A 20 0.786 -0.942 -16.547 1.00 13.15 H new ATOM 0 HE1 PHE A 20 -1.138 -5.376 -17.464 1.00 1.03 H new ATOM 0 HE2 PHE A 20 2.209 -2.942 -16.442 1.00 42.52 H new ATOM 0 HZ PHE A 20 1.249 -5.163 -16.897 1.00 1.31 H new ATOM 323 N LYS A 21 -3.256 1.539 -18.593 1.00 43.53 N ATOM 324 CA LYS A 21 -4.017 2.783 -18.571 1.00 33.43 C ATOM 325 C LYS A 21 -5.114 2.768 -19.631 1.00 33.05 C ATOM 326 O LYS A 21 -6.202 3.303 -19.418 1.00 72.45 O ATOM 327 CB LYS A 21 -3.089 3.978 -18.799 1.00 30.31 C ATOM 328 CG LYS A 21 -3.657 5.294 -18.295 1.00 65.53 C ATOM 329 CD LYS A 21 -2.565 6.332 -18.098 1.00 53.40 C ATOM 330 CE LYS A 21 -2.049 6.858 -19.429 1.00 22.33 C ATOM 331 NZ LYS A 21 -3.007 7.807 -20.060 1.00 3.44 N ATOM 0 H LYS A 21 -2.302 1.636 -18.939 1.00 43.53 H new ATOM 0 HA LYS A 21 -4.484 2.876 -17.591 1.00 33.43 H new ATOM 0 HB2 LYS A 21 -2.138 3.788 -18.302 1.00 30.31 H new ATOM 0 HB3 LYS A 21 -2.880 4.067 -19.865 1.00 30.31 H new ATOM 0 HG2 LYS A 21 -4.394 5.669 -19.005 1.00 65.53 H new ATOM 0 HG3 LYS A 21 -4.178 5.129 -17.352 1.00 65.53 H new ATOM 0 HD2 LYS A 21 -2.952 7.160 -17.504 1.00 53.40 H new ATOM 0 HD3 LYS A 21 -1.741 5.893 -17.535 1.00 53.40 H new ATOM 0 HE2 LYS A 21 -1.092 7.357 -19.276 1.00 22.33 H new ATOM 0 HE3 LYS A 21 -1.868 6.022 -20.104 1.00 22.33 H new ATOM 0 HZ1 LYS A 21 -2.570 8.233 -20.902 1.00 3.44 H new ATOM 0 HZ2 LYS A 21 -3.869 7.296 -20.338 1.00 3.44 H new ATOM 0 HZ3 LYS A 21 -3.252 8.556 -19.381 1.00 3.44 H new ATOM 345 N ALA A 22 -4.821 2.151 -20.771 1.00 10.33 N ATOM 346 CA ALA A 22 -5.784 2.064 -21.862 1.00 2.34 C ATOM 347 C ALA A 22 -6.898 1.077 -21.533 1.00 32.32 C ATOM 348 O ALA A 22 -8.072 1.344 -21.787 1.00 72.14 O ATOM 349 CB ALA A 22 -5.084 1.663 -23.152 1.00 54.40 C ATOM 0 H ALA A 22 -3.924 1.704 -20.963 1.00 10.33 H new ATOM 0 HA ALA A 22 -6.234 3.047 -21.996 1.00 2.34 H new ATOM 0 HB1 ALA A 22 -5.815 1.602 -23.959 1.00 54.40 H new ATOM 0 HB2 ALA A 22 -4.328 2.408 -23.403 1.00 54.40 H new ATOM 0 HB3 ALA A 22 -4.607 0.692 -23.020 1.00 54.40 H new ATOM 355 N ALA A 23 -6.522 -0.065 -20.967 1.00 34.44 N ATOM 356 CA ALA A 23 -7.491 -1.092 -20.602 1.00 63.21 C ATOM 357 C ALA A 23 -8.263 -0.698 -19.348 1.00 13.31 C ATOM 358 O ALA A 23 -9.393 -1.140 -19.138 1.00 11.31 O ATOM 359 CB ALA A 23 -6.791 -2.427 -20.395 1.00 73.53 C ATOM 0 H ALA A 23 -5.554 -0.303 -20.751 1.00 34.44 H new ATOM 0 HA ALA A 23 -8.205 -1.190 -21.420 1.00 63.21 H new ATOM 0 HB1 ALA A 23 -7.526 -3.185 -20.123 1.00 73.53 H new ATOM 0 HB2 ALA A 23 -6.290 -2.722 -21.317 1.00 73.53 H new ATOM 0 HB3 ALA A 23 -6.055 -2.332 -19.597 1.00 73.53 H new ATOM 365 N PHE A 24 -7.647 0.136 -18.517 1.00 21.04 N ATOM 366 CA PHE A 24 -8.277 0.589 -17.282 1.00 24.44 C ATOM 367 C PHE A 24 -9.467 1.495 -17.579 1.00 14.31 C ATOM 368 O PHE A 24 -10.427 1.549 -16.810 1.00 54.10 O ATOM 369 CB PHE A 24 -7.262 1.330 -16.409 1.00 1.21 C ATOM 370 CG PHE A 24 -7.867 1.951 -15.182 1.00 63.12 C ATOM 371 CD1 PHE A 24 -8.133 1.183 -14.060 1.00 63.32 C ATOM 372 CD2 PHE A 24 -8.170 3.303 -15.151 1.00 63.43 C ATOM 373 CE1 PHE A 24 -8.689 1.751 -12.930 1.00 22.25 C ATOM 374 CE2 PHE A 24 -8.725 3.876 -14.023 1.00 54.34 C ATOM 375 CZ PHE A 24 -8.987 3.099 -12.912 1.00 5.34 C ATOM 0 H PHE A 24 -6.712 0.512 -18.676 1.00 21.04 H new ATOM 0 HA PHE A 24 -8.637 -0.288 -16.744 1.00 24.44 H new ATOM 0 HB2 PHE A 24 -6.479 0.635 -16.106 1.00 1.21 H new ATOM 0 HB3 PHE A 24 -6.784 2.109 -17.003 1.00 1.21 H new ATOM 0 HD1 PHE A 24 -7.903 0.128 -14.069 1.00 63.32 H new ATOM 0 HD2 PHE A 24 -7.970 3.915 -16.018 1.00 63.43 H new ATOM 0 HE1 PHE A 24 -8.890 1.141 -12.062 1.00 22.25 H new ATOM 0 HE2 PHE A 24 -8.954 4.931 -14.010 1.00 54.34 H new ATOM 0 HZ PHE A 24 -9.424 3.545 -12.031 1.00 5.34 H new ATOM 385 N ASP A 25 -9.397 2.206 -18.699 1.00 2.22 N ATOM 386 CA ASP A 25 -10.468 3.111 -19.099 1.00 74.31 C ATOM 387 C ASP A 25 -11.733 2.333 -19.449 1.00 53.25 C ATOM 388 O ASP A 25 -12.847 2.830 -19.276 1.00 64.22 O ATOM 389 CB ASP A 25 -10.029 3.959 -20.293 1.00 50.15 C ATOM 390 CG ASP A 25 -11.117 4.905 -20.763 1.00 62.22 C ATOM 391 OD1 ASP A 25 -11.739 5.566 -19.906 1.00 15.22 O ATOM 392 OD2 ASP A 25 -11.345 4.984 -21.988 1.00 40.32 O ATOM 0 H ASP A 25 -8.609 2.173 -19.346 1.00 2.22 H new ATOM 0 HA ASP A 25 -10.688 3.769 -18.258 1.00 74.31 H new ATOM 0 HB2 ASP A 25 -9.144 4.534 -20.021 1.00 50.15 H new ATOM 0 HB3 ASP A 25 -9.742 3.303 -21.115 1.00 50.15 H new ATOM 397 N ILE A 26 -11.554 1.113 -19.944 1.00 23.14 N ATOM 398 CA ILE A 26 -12.680 0.268 -20.318 1.00 75.51 C ATOM 399 C ILE A 26 -13.282 -0.420 -19.097 1.00 64.10 C ATOM 400 O ILE A 26 -14.467 -0.753 -19.079 1.00 41.50 O ATOM 401 CB ILE A 26 -12.264 -0.804 -21.344 1.00 13.45 C ATOM 402 CG1 ILE A 26 -11.791 -0.143 -22.640 1.00 25.12 C ATOM 403 CG2 ILE A 26 -13.422 -1.752 -21.618 1.00 42.02 C ATOM 404 CD1 ILE A 26 -10.290 -0.190 -22.829 1.00 14.25 C ATOM 0 H ILE A 26 -10.639 0.688 -20.095 1.00 23.14 H new ATOM 0 HA ILE A 26 -13.427 0.921 -20.769 1.00 75.51 H new ATOM 0 HB ILE A 26 -11.438 -1.382 -20.930 1.00 13.45 H new ATOM 0 HG12 ILE A 26 -12.271 -0.635 -23.486 1.00 25.12 H new ATOM 0 HG13 ILE A 26 -12.118 0.897 -22.649 1.00 25.12 H new ATOM 0 HG21 ILE A 26 -13.113 -2.503 -22.345 1.00 42.02 H new ATOM 0 HG22 ILE A 26 -13.717 -2.243 -20.691 1.00 42.02 H new ATOM 0 HG23 ILE A 26 -14.267 -1.189 -22.015 1.00 42.02 H new ATOM 0 HD11 ILE A 26 -10.026 0.297 -23.768 1.00 14.25 H new ATOM 0 HD12 ILE A 26 -9.803 0.327 -22.003 1.00 14.25 H new ATOM 0 HD13 ILE A 26 -9.959 -1.228 -22.853 1.00 14.25 H new ATOM 416 N PHE A 27 -12.456 -0.629 -18.077 1.00 35.15 N ATOM 417 CA PHE A 27 -12.906 -1.276 -16.850 1.00 34.43 C ATOM 418 C PHE A 27 -13.729 -0.315 -15.998 1.00 13.35 C ATOM 419 O PHE A 27 -14.682 -0.718 -15.330 1.00 22.10 O ATOM 420 CB PHE A 27 -11.707 -1.788 -16.048 1.00 54.33 C ATOM 421 CG PHE A 27 -11.231 -3.144 -16.482 1.00 62.24 C ATOM 422 CD1 PHE A 27 -10.943 -3.399 -17.814 1.00 3.25 C ATOM 423 CD2 PHE A 27 -11.071 -4.165 -15.559 1.00 73.12 C ATOM 424 CE1 PHE A 27 -10.504 -4.646 -18.216 1.00 45.03 C ATOM 425 CE2 PHE A 27 -10.632 -5.414 -15.956 1.00 70.00 C ATOM 426 CZ PHE A 27 -10.349 -5.655 -17.286 1.00 60.13 C ATOM 0 H PHE A 27 -11.472 -0.360 -18.076 1.00 35.15 H new ATOM 0 HA PHE A 27 -13.537 -2.121 -17.126 1.00 34.43 H new ATOM 0 HB2 PHE A 27 -10.887 -1.076 -16.142 1.00 54.33 H new ATOM 0 HB3 PHE A 27 -11.976 -1.827 -14.992 1.00 54.33 H new ATOM 0 HD1 PHE A 27 -11.063 -2.614 -18.546 1.00 3.25 H new ATOM 0 HD2 PHE A 27 -11.292 -3.983 -14.518 1.00 73.12 H new ATOM 0 HE1 PHE A 27 -10.282 -4.831 -19.257 1.00 45.03 H new ATOM 0 HE2 PHE A 27 -10.510 -6.201 -15.226 1.00 70.00 H new ATOM 0 HZ PHE A 27 -10.007 -6.631 -17.598 1.00 60.13 H new ATOM 436 N VAL A 28 -13.354 0.960 -16.025 1.00 50.31 N ATOM 437 CA VAL A 28 -14.056 1.981 -15.256 1.00 74.32 C ATOM 438 C VAL A 28 -15.269 2.505 -16.017 1.00 61.23 C ATOM 439 O VAL A 28 -15.943 3.433 -15.570 1.00 11.45 O ATOM 440 CB VAL A 28 -13.130 3.162 -14.913 1.00 45.00 C ATOM 441 CG1 VAL A 28 -11.869 2.668 -14.219 1.00 15.12 C ATOM 442 CG2 VAL A 28 -12.783 3.949 -16.168 1.00 71.10 C ATOM 0 H VAL A 28 -12.567 1.311 -16.572 1.00 50.31 H new ATOM 0 HA VAL A 28 -14.387 1.508 -14.331 1.00 74.32 H new ATOM 0 HB VAL A 28 -13.657 3.827 -14.228 1.00 45.00 H new ATOM 0 HG11 VAL A 28 -11.227 3.517 -13.984 1.00 15.12 H new ATOM 0 HG12 VAL A 28 -12.139 2.152 -13.298 1.00 15.12 H new ATOM 0 HG13 VAL A 28 -11.337 1.981 -14.877 1.00 15.12 H new ATOM 0 HG21 VAL A 28 -12.128 4.780 -15.907 1.00 71.10 H new ATOM 0 HG22 VAL A 28 -12.276 3.296 -16.878 1.00 71.10 H new ATOM 0 HG23 VAL A 28 -13.697 4.335 -16.619 1.00 71.10 H new ATOM 452 N LEU A 29 -15.542 1.904 -17.170 1.00 62.21 N ATOM 453 CA LEU A 29 -16.675 2.309 -17.995 1.00 3.31 C ATOM 454 C LEU A 29 -17.986 2.158 -17.231 1.00 12.21 C ATOM 455 O LEU A 29 -18.923 2.932 -17.426 1.00 4.15 O ATOM 456 CB LEU A 29 -16.720 1.478 -19.278 1.00 71.21 C ATOM 457 CG LEU A 29 -15.884 2.000 -20.446 1.00 44.45 C ATOM 458 CD1 LEU A 29 -15.893 1.005 -21.597 1.00 2.54 C ATOM 459 CD2 LEU A 29 -16.399 3.356 -20.907 1.00 72.13 C ATOM 0 H LEU A 29 -14.994 1.134 -17.555 1.00 62.21 H new ATOM 0 HA LEU A 29 -16.546 3.360 -18.255 1.00 3.31 H new ATOM 0 HB2 LEU A 29 -16.388 0.467 -19.044 1.00 71.21 H new ATOM 0 HB3 LEU A 29 -17.758 1.406 -19.604 1.00 71.21 H new ATOM 0 HG LEU A 29 -14.856 2.121 -20.105 1.00 44.45 H new ATOM 0 HD11 LEU A 29 -15.293 1.394 -22.419 1.00 2.54 H new ATOM 0 HD12 LEU A 29 -15.476 0.056 -21.261 1.00 2.54 H new ATOM 0 HD13 LEU A 29 -16.917 0.851 -21.937 1.00 2.54 H new ATOM 0 HD21 LEU A 29 -15.792 3.712 -21.739 1.00 72.13 H new ATOM 0 HD22 LEU A 29 -17.436 3.261 -21.229 1.00 72.13 H new ATOM 0 HD23 LEU A 29 -16.339 4.067 -20.083 1.00 72.13 H new ATOM 471 N GLY A 30 -18.045 1.156 -16.358 1.00 52.55 N ATOM 472 CA GLY A 30 -19.245 0.924 -15.576 1.00 72.54 C ATOM 473 C GLY A 30 -19.465 1.989 -14.521 1.00 54.10 C ATOM 474 O GLY A 30 -20.603 2.359 -14.231 1.00 5.30 O ATOM 0 H GLY A 30 -17.283 0.502 -16.179 1.00 52.55 H new ATOM 0 HA2 GLY A 30 -20.108 0.892 -16.241 1.00 72.54 H new ATOM 0 HA3 GLY A 30 -19.178 -0.052 -15.094 1.00 72.54 H new ATOM 478 N ALA A 31 -18.375 2.482 -13.944 1.00 4.41 N ATOM 479 CA ALA A 31 -18.454 3.512 -12.915 1.00 22.31 C ATOM 480 C ALA A 31 -18.793 4.869 -13.521 1.00 42.23 C ATOM 481 O ALA A 31 -18.716 5.053 -14.736 1.00 31.34 O ATOM 482 CB ALA A 31 -17.145 3.588 -12.143 1.00 42.31 C ATOM 0 H ALA A 31 -17.426 2.185 -14.171 1.00 4.41 H new ATOM 0 HA ALA A 31 -19.254 3.242 -12.226 1.00 22.31 H new ATOM 0 HB1 ALA A 31 -17.218 4.361 -11.378 1.00 42.31 H new ATOM 0 HB2 ALA A 31 -16.945 2.627 -11.670 1.00 42.31 H new ATOM 0 HB3 ALA A 31 -16.332 3.831 -12.828 1.00 42.31 H new ATOM 488 N GLU A 32 -19.168 5.817 -12.668 1.00 32.55 N ATOM 489 CA GLU A 32 -19.520 7.157 -13.121 1.00 73.12 C ATOM 490 C GLU A 32 -18.431 8.160 -12.752 1.00 32.12 C ATOM 491 O GLU A 32 -18.284 9.198 -13.397 1.00 12.35 O ATOM 492 CB GLU A 32 -20.856 7.591 -12.514 1.00 22.35 C ATOM 493 CG GLU A 32 -22.025 6.711 -12.923 1.00 52.10 C ATOM 494 CD GLU A 32 -23.086 6.612 -11.845 1.00 15.15 C ATOM 495 OE1 GLU A 32 -23.176 7.541 -11.014 1.00 22.40 O ATOM 496 OE2 GLU A 32 -23.827 5.607 -11.831 1.00 31.04 O ATOM 0 H GLU A 32 -19.236 5.681 -11.659 1.00 32.55 H new ATOM 0 HA GLU A 32 -19.614 7.132 -14.207 1.00 73.12 H new ATOM 0 HB2 GLU A 32 -20.771 7.585 -11.427 1.00 22.35 H new ATOM 0 HB3 GLU A 32 -21.064 8.619 -12.812 1.00 22.35 H new ATOM 0 HG2 GLU A 32 -22.473 7.109 -13.833 1.00 52.10 H new ATOM 0 HG3 GLU A 32 -21.658 5.712 -13.159 1.00 52.10 H new ATOM 503 N ASP A 33 -17.671 7.842 -11.710 1.00 31.42 N ATOM 504 CA ASP A 33 -16.595 8.714 -11.254 1.00 21.43 C ATOM 505 C ASP A 33 -15.270 8.327 -11.903 1.00 61.22 C ATOM 506 O ASP A 33 -14.419 9.179 -12.158 1.00 35.45 O ATOM 507 CB ASP A 33 -16.469 8.650 -9.731 1.00 25.32 C ATOM 508 CG ASP A 33 -17.761 9.013 -9.027 1.00 11.12 C ATOM 509 OD1 ASP A 33 -18.180 10.185 -9.124 1.00 50.34 O ATOM 510 OD2 ASP A 33 -18.353 8.126 -8.378 1.00 34.54 O ATOM 0 H ASP A 33 -17.780 6.987 -11.165 1.00 31.42 H new ATOM 0 HA ASP A 33 -16.838 9.735 -11.548 1.00 21.43 H new ATOM 0 HB2 ASP A 33 -16.168 7.645 -9.436 1.00 25.32 H new ATOM 0 HB3 ASP A 33 -15.679 9.327 -9.406 1.00 25.32 H new ATOM 515 N GLY A 34 -15.101 7.035 -12.168 1.00 72.31 N ATOM 516 CA GLY A 34 -13.877 6.557 -12.784 1.00 51.43 C ATOM 517 C GLY A 34 -13.139 5.562 -11.912 1.00 23.12 C ATOM 518 O GLY A 34 -11.951 5.732 -11.633 1.00 33.04 O ATOM 0 H GLY A 34 -15.790 6.311 -11.967 1.00 72.31 H new ATOM 0 HA2 GLY A 34 -14.113 6.091 -13.741 1.00 51.43 H new ATOM 0 HA3 GLY A 34 -13.225 7.405 -12.994 1.00 51.43 H new ATOM 522 N CYS A 35 -13.842 4.522 -11.479 1.00 30.51 N ATOM 523 CA CYS A 35 -13.246 3.496 -10.630 1.00 72.42 C ATOM 524 C CYS A 35 -13.835 2.123 -10.941 1.00 43.44 C ATOM 525 O CYS A 35 -14.754 2.001 -11.751 1.00 72.32 O ATOM 526 CB CYS A 35 -13.464 3.835 -9.155 1.00 33.10 C ATOM 527 SG CYS A 35 -15.166 4.288 -8.745 1.00 50.45 S ATOM 0 H CYS A 35 -14.825 4.366 -11.701 1.00 30.51 H new ATOM 0 HA CYS A 35 -12.176 3.467 -10.834 1.00 72.42 H new ATOM 0 HB2 CYS A 35 -13.172 2.977 -8.549 1.00 33.10 H new ATOM 0 HB3 CYS A 35 -12.804 4.658 -8.881 1.00 33.10 H new ATOM 0 HG CYS A 35 -15.250 4.555 -7.475 1.00 50.45 H new ATOM 533 N ILE A 36 -13.298 1.095 -10.294 1.00 64.44 N ATOM 534 CA ILE A 36 -13.769 -0.269 -10.503 1.00 15.33 C ATOM 535 C ILE A 36 -14.176 -0.917 -9.184 1.00 25.42 C ATOM 536 O ILE A 36 -13.342 -1.134 -8.304 1.00 70.33 O ATOM 537 CB ILE A 36 -12.695 -1.139 -11.181 1.00 23.05 C ATOM 538 CG1 ILE A 36 -12.305 -0.544 -12.535 1.00 40.21 C ATOM 539 CG2 ILE A 36 -13.196 -2.566 -11.347 1.00 52.33 C ATOM 540 CD1 ILE A 36 -10.839 -0.708 -12.868 1.00 64.51 C ATOM 0 H ILE A 36 -12.537 1.180 -9.621 1.00 64.44 H new ATOM 0 HA ILE A 36 -14.638 -0.206 -11.158 1.00 15.33 H new ATOM 0 HB ILE A 36 -11.810 -1.158 -10.546 1.00 23.05 H new ATOM 0 HG12 ILE A 36 -12.901 -1.016 -13.316 1.00 40.21 H new ATOM 0 HG13 ILE A 36 -12.554 0.517 -12.542 1.00 40.21 H new ATOM 0 HG21 ILE A 36 -12.425 -3.169 -11.828 1.00 52.33 H new ATOM 0 HG22 ILE A 36 -13.427 -2.986 -10.368 1.00 52.33 H new ATOM 0 HG23 ILE A 36 -14.095 -2.567 -11.964 1.00 52.33 H new ATOM 0 HD11 ILE A 36 -10.635 -0.263 -13.842 1.00 64.51 H new ATOM 0 HD12 ILE A 36 -10.236 -0.211 -12.108 1.00 64.51 H new ATOM 0 HD13 ILE A 36 -10.588 -1.768 -12.894 1.00 64.51 H new ATOM 552 N SER A 37 -15.462 -1.227 -9.054 1.00 3.30 N ATOM 553 CA SER A 37 -15.980 -1.849 -7.841 1.00 64.33 C ATOM 554 C SER A 37 -15.882 -3.369 -7.927 1.00 31.50 C ATOM 555 O SER A 37 -16.105 -3.960 -8.985 1.00 13.25 O ATOM 556 CB SER A 37 -17.433 -1.432 -7.609 1.00 72.44 C ATOM 557 OG SER A 37 -18.227 -1.690 -8.755 1.00 24.11 O ATOM 0 H SER A 37 -16.164 -1.058 -9.774 1.00 3.30 H new ATOM 0 HA SER A 37 -15.374 -1.510 -7.001 1.00 64.33 H new ATOM 0 HB2 SER A 37 -17.838 -1.972 -6.753 1.00 72.44 H new ATOM 0 HB3 SER A 37 -17.475 -0.371 -7.365 1.00 72.44 H new ATOM 0 HG SER A 37 -19.152 -1.416 -8.581 1.00 24.11 H new ATOM 563 N THR A 38 -15.547 -3.999 -6.805 1.00 3.10 N ATOM 564 CA THR A 38 -15.418 -5.450 -6.752 1.00 1.43 C ATOM 565 C THR A 38 -16.624 -6.132 -7.386 1.00 34.43 C ATOM 566 O THR A 38 -16.503 -7.202 -7.982 1.00 70.55 O ATOM 567 CB THR A 38 -15.264 -5.947 -5.302 1.00 60.10 C ATOM 568 OG1 THR A 38 -15.514 -7.356 -5.238 1.00 54.52 O ATOM 569 CG2 THR A 38 -16.221 -5.214 -4.374 1.00 22.21 C ATOM 0 H THR A 38 -15.360 -3.527 -5.921 1.00 3.10 H new ATOM 0 HA THR A 38 -14.521 -5.709 -7.314 1.00 1.43 H new ATOM 0 HB THR A 38 -14.243 -5.745 -4.978 1.00 60.10 H new ATOM 0 HG1 THR A 38 -15.571 -7.636 -4.301 1.00 54.52 H new ATOM 0 HG21 THR A 38 -16.094 -5.582 -3.356 1.00 22.21 H new ATOM 0 HG22 THR A 38 -16.009 -4.145 -4.403 1.00 22.21 H new ATOM 0 HG23 THR A 38 -17.247 -5.389 -4.698 1.00 22.21 H new ATOM 577 N LYS A 39 -17.789 -5.507 -7.254 1.00 33.13 N ATOM 578 CA LYS A 39 -19.019 -6.053 -7.815 1.00 52.25 C ATOM 579 C LYS A 39 -18.973 -6.042 -9.340 1.00 44.11 C ATOM 580 O LYS A 39 -19.364 -7.012 -9.988 1.00 53.44 O ATOM 581 CB LYS A 39 -20.227 -5.251 -7.326 1.00 34.31 C ATOM 582 CG LYS A 39 -21.550 -5.978 -7.498 1.00 61.13 C ATOM 583 CD LYS A 39 -22.724 -5.106 -7.085 1.00 64.02 C ATOM 584 CE LYS A 39 -23.931 -5.945 -6.694 1.00 4.31 C ATOM 585 NZ LYS A 39 -24.709 -6.386 -7.884 1.00 63.15 N ATOM 0 H LYS A 39 -17.907 -4.621 -6.763 1.00 33.13 H new ATOM 0 HA LYS A 39 -19.115 -7.085 -7.479 1.00 52.25 H new ATOM 0 HB2 LYS A 39 -20.089 -5.009 -6.272 1.00 34.31 H new ATOM 0 HB3 LYS A 39 -20.268 -4.306 -7.867 1.00 34.31 H new ATOM 0 HG2 LYS A 39 -21.668 -6.279 -8.539 1.00 61.13 H new ATOM 0 HG3 LYS A 39 -21.545 -6.890 -6.901 1.00 61.13 H new ATOM 0 HD2 LYS A 39 -22.432 -4.474 -6.246 1.00 64.02 H new ATOM 0 HD3 LYS A 39 -22.992 -4.442 -7.907 1.00 64.02 H new ATOM 0 HE2 LYS A 39 -23.599 -6.819 -6.133 1.00 4.31 H new ATOM 0 HE3 LYS A 39 -24.576 -5.367 -6.032 1.00 4.31 H new ATOM 0 HZ1 LYS A 39 -25.523 -6.955 -7.575 1.00 63.15 H new ATOM 0 HZ2 LYS A 39 -25.047 -5.553 -8.406 1.00 63.15 H new ATOM 0 HZ3 LYS A 39 -24.101 -6.959 -8.503 1.00 63.15 H new ATOM 599 N GLU A 40 -18.490 -4.940 -9.905 1.00 41.32 N ATOM 600 CA GLU A 40 -18.392 -4.805 -11.354 1.00 1.32 C ATOM 601 C GLU A 40 -17.183 -5.565 -11.891 1.00 22.34 C ATOM 602 O GLU A 40 -17.193 -6.051 -13.022 1.00 70.44 O ATOM 603 CB GLU A 40 -18.295 -3.329 -11.745 1.00 42.24 C ATOM 604 CG GLU A 40 -19.120 -2.968 -12.969 1.00 33.10 C ATOM 605 CD GLU A 40 -20.603 -3.214 -12.766 1.00 23.12 C ATOM 606 OE1 GLU A 40 -21.054 -4.353 -13.008 1.00 13.24 O ATOM 607 OE2 GLU A 40 -21.311 -2.267 -12.364 1.00 50.04 O ATOM 0 H GLU A 40 -18.161 -4.128 -9.382 1.00 41.32 H new ATOM 0 HA GLU A 40 -19.293 -5.232 -11.795 1.00 1.32 H new ATOM 0 HB2 GLU A 40 -18.621 -2.717 -10.904 1.00 42.24 H new ATOM 0 HB3 GLU A 40 -17.251 -3.080 -11.935 1.00 42.24 H new ATOM 0 HG2 GLU A 40 -18.960 -1.918 -13.214 1.00 33.10 H new ATOM 0 HG3 GLU A 40 -18.772 -3.551 -13.822 1.00 33.10 H new ATOM 614 N LEU A 41 -16.142 -5.664 -11.071 1.00 40.10 N ATOM 615 CA LEU A 41 -14.924 -6.365 -11.462 1.00 42.33 C ATOM 616 C LEU A 41 -15.203 -7.843 -11.712 1.00 64.34 C ATOM 617 O LEU A 41 -14.496 -8.498 -12.477 1.00 65.20 O ATOM 618 CB LEU A 41 -13.854 -6.212 -10.380 1.00 1.23 C ATOM 619 CG LEU A 41 -12.574 -7.024 -10.581 1.00 73.21 C ATOM 620 CD1 LEU A 41 -12.080 -6.895 -12.013 1.00 43.34 C ATOM 621 CD2 LEU A 41 -11.499 -6.578 -9.601 1.00 52.42 C ATOM 0 H LEU A 41 -16.117 -5.268 -10.131 1.00 40.10 H new ATOM 0 HA LEU A 41 -14.560 -5.921 -12.389 1.00 42.33 H new ATOM 0 HB2 LEU A 41 -13.585 -5.158 -10.310 1.00 1.23 H new ATOM 0 HB3 LEU A 41 -14.292 -6.493 -9.422 1.00 1.23 H new ATOM 0 HG LEU A 41 -12.798 -8.073 -10.389 1.00 73.21 H new ATOM 0 HD11 LEU A 41 -11.168 -7.479 -12.137 1.00 43.34 H new ATOM 0 HD12 LEU A 41 -12.844 -7.265 -12.696 1.00 43.34 H new ATOM 0 HD13 LEU A 41 -11.873 -5.848 -12.233 1.00 43.34 H new ATOM 0 HD21 LEU A 41 -10.596 -7.167 -9.759 1.00 52.42 H new ATOM 0 HD22 LEU A 41 -11.277 -5.523 -9.760 1.00 52.42 H new ATOM 0 HD23 LEU A 41 -11.854 -6.724 -8.581 1.00 52.42 H new ATOM 633 N GLY A 42 -16.240 -8.363 -11.063 1.00 53.13 N ATOM 634 CA GLY A 42 -16.596 -9.760 -11.230 1.00 41.14 C ATOM 635 C GLY A 42 -17.196 -10.047 -12.593 1.00 0.55 C ATOM 636 O GLY A 42 -16.959 -11.106 -13.173 1.00 53.15 O ATOM 0 H GLY A 42 -16.840 -7.842 -10.424 1.00 53.13 H new ATOM 0 HA2 GLY A 42 -15.708 -10.377 -11.090 1.00 41.14 H new ATOM 0 HA3 GLY A 42 -17.308 -10.045 -10.456 1.00 41.14 H new ATOM 640 N LYS A 43 -17.977 -9.101 -13.104 1.00 30.10 N ATOM 641 CA LYS A 43 -18.614 -9.256 -14.406 1.00 71.03 C ATOM 642 C LYS A 43 -17.570 -9.367 -15.513 1.00 12.20 C ATOM 643 O LYS A 43 -17.750 -10.110 -16.478 1.00 30.34 O ATOM 644 CB LYS A 43 -19.545 -8.074 -14.685 1.00 51.14 C ATOM 645 CG LYS A 43 -18.916 -6.996 -15.551 1.00 55.21 C ATOM 646 CD LYS A 43 -19.852 -5.813 -15.736 1.00 73.00 C ATOM 647 CE LYS A 43 -19.467 -4.982 -16.951 1.00 34.34 C ATOM 648 NZ LYS A 43 -19.705 -5.718 -18.224 1.00 10.35 N ATOM 0 H LYS A 43 -18.184 -8.219 -12.636 1.00 30.10 H new ATOM 0 HA LYS A 43 -19.199 -10.175 -14.389 1.00 71.03 H new ATOM 0 HB2 LYS A 43 -20.447 -8.441 -15.174 1.00 51.14 H new ATOM 0 HB3 LYS A 43 -19.853 -7.633 -13.737 1.00 51.14 H new ATOM 0 HG2 LYS A 43 -17.986 -6.657 -15.094 1.00 55.21 H new ATOM 0 HG3 LYS A 43 -18.659 -7.414 -16.524 1.00 55.21 H new ATOM 0 HD2 LYS A 43 -20.875 -6.171 -15.848 1.00 73.00 H new ATOM 0 HD3 LYS A 43 -19.830 -5.187 -14.844 1.00 73.00 H new ATOM 0 HE2 LYS A 43 -20.041 -4.056 -16.954 1.00 34.34 H new ATOM 0 HE3 LYS A 43 -18.415 -4.705 -16.883 1.00 34.34 H new ATOM 0 HZ1 LYS A 43 -19.778 -5.040 -19.009 1.00 10.35 H new ATOM 0 HZ2 LYS A 43 -18.914 -6.369 -18.402 1.00 10.35 H new ATOM 0 HZ3 LYS A 43 -20.590 -6.260 -18.151 1.00 10.35 H new ATOM 662 N VAL A 44 -16.478 -8.624 -15.367 1.00 2.35 N ATOM 663 CA VAL A 44 -15.404 -8.641 -16.352 1.00 42.34 C ATOM 664 C VAL A 44 -14.725 -10.005 -16.402 1.00 5.35 C ATOM 665 O VAL A 44 -14.282 -10.451 -17.460 1.00 32.15 O ATOM 666 CB VAL A 44 -14.346 -7.563 -16.048 1.00 61.35 C ATOM 667 CG1 VAL A 44 -13.234 -7.599 -17.085 1.00 64.34 C ATOM 668 CG2 VAL A 44 -14.989 -6.186 -15.993 1.00 35.14 C ATOM 0 H VAL A 44 -16.314 -8.002 -14.575 1.00 2.35 H new ATOM 0 HA VAL A 44 -15.859 -8.430 -17.320 1.00 42.34 H new ATOM 0 HB VAL A 44 -13.908 -7.774 -15.072 1.00 61.35 H new ATOM 0 HG11 VAL A 44 -12.496 -6.831 -16.854 1.00 64.34 H new ATOM 0 HG12 VAL A 44 -12.755 -8.578 -17.071 1.00 64.34 H new ATOM 0 HG13 VAL A 44 -13.653 -7.414 -18.074 1.00 64.34 H new ATOM 0 HG21 VAL A 44 -14.227 -5.437 -15.777 1.00 35.14 H new ATOM 0 HG22 VAL A 44 -15.455 -5.963 -16.953 1.00 35.14 H new ATOM 0 HG23 VAL A 44 -15.746 -6.169 -15.209 1.00 35.14 H new ATOM 678 N MET A 45 -14.646 -10.662 -15.249 1.00 60.33 N ATOM 679 CA MET A 45 -14.022 -11.977 -15.161 1.00 62.45 C ATOM 680 C MET A 45 -14.603 -12.926 -16.206 1.00 5.43 C ATOM 681 O MET A 45 -13.904 -13.798 -16.722 1.00 40.12 O ATOM 682 CB MET A 45 -14.212 -12.564 -13.761 1.00 55.53 C ATOM 683 CG MET A 45 -13.835 -11.604 -12.644 1.00 64.33 C ATOM 684 SD MET A 45 -12.173 -10.931 -12.839 1.00 71.40 S ATOM 685 CE MET A 45 -11.277 -12.390 -13.366 1.00 3.05 C ATOM 0 H MET A 45 -15.006 -10.305 -14.364 1.00 60.33 H new ATOM 0 HA MET A 45 -12.956 -11.859 -15.355 1.00 62.45 H new ATOM 0 HB2 MET A 45 -15.254 -12.860 -13.638 1.00 55.53 H new ATOM 0 HB3 MET A 45 -13.611 -13.468 -13.670 1.00 55.53 H new ATOM 0 HG2 MET A 45 -14.554 -10.785 -12.616 1.00 64.33 H new ATOM 0 HG3 MET A 45 -13.904 -12.121 -11.687 1.00 64.33 H new ATOM 0 HE1 MET A 45 -10.206 -12.194 -13.323 1.00 3.05 H new ATOM 0 HE2 MET A 45 -11.520 -13.224 -12.708 1.00 3.05 H new ATOM 0 HE3 MET A 45 -11.559 -12.641 -14.389 1.00 3.05 H new ATOM 695 N ARG A 46 -15.884 -12.749 -16.511 1.00 62.14 N ATOM 696 CA ARG A 46 -16.558 -13.590 -17.493 1.00 21.30 C ATOM 697 C ARG A 46 -15.862 -13.508 -18.849 1.00 34.24 C ATOM 698 O ARG A 46 -15.793 -14.494 -19.582 1.00 42.11 O ATOM 699 CB ARG A 46 -18.023 -13.173 -17.633 1.00 70.03 C ATOM 700 CG ARG A 46 -18.804 -13.245 -16.332 1.00 32.05 C ATOM 701 CD ARG A 46 -20.261 -13.608 -16.575 1.00 63.12 C ATOM 702 NE ARG A 46 -20.459 -15.053 -16.653 1.00 41.13 N ATOM 703 CZ ARG A 46 -21.648 -15.624 -16.808 1.00 70.32 C ATOM 704 NH1 ARG A 46 -22.739 -14.877 -16.902 1.00 12.15 N ATOM 705 NH2 ARG A 46 -21.747 -16.946 -16.871 1.00 34.04 N ATOM 0 H ARG A 46 -16.476 -12.031 -16.093 1.00 62.14 H new ATOM 0 HA ARG A 46 -16.513 -14.621 -17.143 1.00 21.30 H new ATOM 0 HB2 ARG A 46 -18.067 -12.154 -18.017 1.00 70.03 H new ATOM 0 HB3 ARG A 46 -18.505 -13.813 -18.372 1.00 70.03 H new ATOM 0 HG2 ARG A 46 -18.349 -13.985 -15.674 1.00 32.05 H new ATOM 0 HG3 ARG A 46 -18.748 -12.285 -15.819 1.00 32.05 H new ATOM 0 HD2 ARG A 46 -20.875 -13.201 -15.772 1.00 63.12 H new ATOM 0 HD3 ARG A 46 -20.600 -13.145 -17.502 1.00 63.12 H new ATOM 0 HE ARG A 46 -19.639 -15.656 -16.585 1.00 41.13 H new ATOM 0 HH11 ARG A 46 -22.667 -13.861 -16.855 1.00 12.15 H new ATOM 0 HH12 ARG A 46 -23.651 -15.319 -17.021 1.00 12.15 H new ATOM 0 HH21 ARG A 46 -20.910 -17.524 -16.800 1.00 34.04 H new ATOM 0 HH22 ARG A 46 -22.660 -17.384 -16.990 1.00 34.04 H new ATOM 719 N MET A 47 -15.350 -12.326 -19.174 1.00 61.03 N ATOM 720 CA MET A 47 -14.659 -12.116 -20.441 1.00 53.15 C ATOM 721 C MET A 47 -13.357 -12.908 -20.489 1.00 23.14 C ATOM 722 O MET A 47 -12.955 -13.400 -21.544 1.00 51.22 O ATOM 723 CB MET A 47 -14.373 -10.628 -20.650 1.00 4.42 C ATOM 724 CG MET A 47 -15.599 -9.744 -20.487 1.00 43.13 C ATOM 725 SD MET A 47 -16.781 -9.942 -21.834 1.00 42.45 S ATOM 726 CE MET A 47 -18.148 -8.954 -21.233 1.00 13.23 C ATOM 0 H MET A 47 -15.400 -11.499 -18.578 1.00 61.03 H new ATOM 0 HA MET A 47 -15.308 -12.470 -21.242 1.00 53.15 H new ATOM 0 HB2 MET A 47 -13.609 -10.310 -19.940 1.00 4.42 H new ATOM 0 HB3 MET A 47 -13.961 -10.483 -21.648 1.00 4.42 H new ATOM 0 HG2 MET A 47 -16.088 -9.979 -19.542 1.00 43.13 H new ATOM 0 HG3 MET A 47 -15.286 -8.701 -20.434 1.00 43.13 H new ATOM 0 HE1 MET A 47 -18.961 -8.977 -21.959 1.00 13.23 H new ATOM 0 HE2 MET A 47 -18.498 -9.357 -20.283 1.00 13.23 H new ATOM 0 HE3 MET A 47 -17.818 -7.925 -21.091 1.00 13.23 H new ATOM 736 N LEU A 48 -12.701 -13.028 -19.340 1.00 5.12 N ATOM 737 CA LEU A 48 -11.442 -13.761 -19.250 1.00 53.21 C ATOM 738 C LEU A 48 -11.683 -15.266 -19.308 1.00 55.20 C ATOM 739 O LEU A 48 -10.810 -16.029 -19.718 1.00 33.42 O ATOM 740 CB LEU A 48 -10.710 -13.399 -17.957 1.00 20.44 C ATOM 741 CG LEU A 48 -10.017 -12.036 -17.936 1.00 33.42 C ATOM 742 CD1 LEU A 48 -9.056 -11.908 -19.107 1.00 63.40 C ATOM 743 CD2 LEU A 48 -11.046 -10.915 -17.963 1.00 24.14 C ATOM 0 H LEU A 48 -13.020 -12.627 -18.458 1.00 5.12 H new ATOM 0 HA LEU A 48 -10.823 -13.478 -20.102 1.00 53.21 H new ATOM 0 HB2 LEU A 48 -11.426 -13.432 -17.136 1.00 20.44 H new ATOM 0 HB3 LEU A 48 -9.962 -14.167 -17.759 1.00 20.44 H new ATOM 0 HG LEU A 48 -9.444 -11.955 -17.012 1.00 33.42 H new ATOM 0 HD11 LEU A 48 -8.572 -10.932 -19.076 1.00 63.40 H new ATOM 0 HD12 LEU A 48 -8.299 -12.690 -19.044 1.00 63.40 H new ATOM 0 HD13 LEU A 48 -9.606 -12.010 -20.042 1.00 63.40 H new ATOM 0 HD21 LEU A 48 -10.536 -9.952 -17.948 1.00 24.14 H new ATOM 0 HD22 LEU A 48 -11.646 -10.993 -18.870 1.00 24.14 H new ATOM 0 HD23 LEU A 48 -11.695 -10.996 -17.091 1.00 24.14 H new ATOM 755 N GLY A 49 -12.876 -15.685 -18.896 1.00 72.33 N ATOM 756 CA GLY A 49 -13.212 -17.097 -18.911 1.00 62.14 C ATOM 757 C GLY A 49 -13.368 -17.671 -17.517 1.00 44.01 C ATOM 758 O GLY A 49 -13.340 -18.888 -17.334 1.00 1.42 O ATOM 0 H GLY A 49 -13.615 -15.072 -18.552 1.00 72.33 H new ATOM 0 HA2 GLY A 49 -14.139 -17.241 -19.466 1.00 62.14 H new ATOM 0 HA3 GLY A 49 -12.435 -17.647 -19.442 1.00 62.14 H new ATOM 762 N GLN A 50 -13.530 -16.793 -16.532 1.00 70.24 N ATOM 763 CA GLN A 50 -13.688 -17.221 -15.147 1.00 51.53 C ATOM 764 C GLN A 50 -14.803 -16.439 -14.460 1.00 42.52 C ATOM 765 O GLN A 50 -15.051 -15.278 -14.785 1.00 22.14 O ATOM 766 CB GLN A 50 -12.376 -17.039 -14.383 1.00 23.44 C ATOM 767 CG GLN A 50 -12.052 -15.588 -14.064 1.00 74.53 C ATOM 768 CD GLN A 50 -10.582 -15.265 -14.244 1.00 73.15 C ATOM 769 OE1 GLN A 50 -9.847 -15.102 -13.270 1.00 42.55 O ATOM 770 NE2 GLN A 50 -10.145 -15.171 -15.495 1.00 34.41 N ATOM 0 H GLN A 50 -13.555 -15.782 -16.667 1.00 70.24 H new ATOM 0 HA GLN A 50 -13.957 -18.277 -15.147 1.00 51.53 H new ATOM 0 HB2 GLN A 50 -12.426 -17.604 -13.452 1.00 23.44 H new ATOM 0 HB3 GLN A 50 -11.562 -17.463 -14.970 1.00 23.44 H new ATOM 0 HG2 GLN A 50 -12.644 -14.938 -14.707 1.00 74.53 H new ATOM 0 HG3 GLN A 50 -12.344 -15.372 -13.036 1.00 74.53 H new ATOM 0 HE21 GLN A 50 -10.790 -15.314 -16.272 1.00 34.41 H new ATOM 0 HE22 GLN A 50 -9.165 -14.956 -15.678 1.00 34.41 H new ATOM 779 N ASN A 51 -15.472 -17.083 -13.510 1.00 2.14 N ATOM 780 CA ASN A 51 -16.561 -16.448 -12.777 1.00 52.41 C ATOM 781 C ASN A 51 -16.520 -16.830 -11.301 1.00 4.23 C ATOM 782 O ASN A 51 -17.381 -17.549 -10.796 1.00 34.54 O ATOM 783 CB ASN A 51 -17.910 -16.846 -13.381 1.00 3.33 C ATOM 784 CG ASN A 51 -17.968 -18.317 -13.745 1.00 54.41 C ATOM 785 OD1 ASN A 51 -17.927 -19.185 -12.874 1.00 32.51 O ATOM 786 ND2 ASN A 51 -18.065 -18.602 -15.038 1.00 62.14 N ATOM 0 H ASN A 51 -15.279 -18.045 -13.229 1.00 2.14 H new ATOM 0 HA ASN A 51 -16.438 -15.368 -12.857 1.00 52.41 H new ATOM 0 HB2 ASN A 51 -18.705 -16.619 -12.670 1.00 3.33 H new ATOM 0 HB3 ASN A 51 -18.098 -16.246 -14.272 1.00 3.33 H new ATOM 0 HD21 ASN A 51 -18.109 -19.574 -15.344 1.00 62.14 H new ATOM 0 HD22 ASN A 51 -18.096 -17.849 -15.725 1.00 62.14 H new ATOM 793 N PRO A 52 -15.494 -16.337 -10.591 1.00 0.24 N ATOM 794 CA PRO A 52 -15.316 -16.612 -9.162 1.00 24.11 C ATOM 795 C PRO A 52 -16.370 -15.922 -8.303 1.00 23.44 C ATOM 796 O PRO A 52 -17.107 -15.059 -8.779 1.00 40.32 O ATOM 797 CB PRO A 52 -13.926 -16.044 -8.862 1.00 71.30 C ATOM 798 CG PRO A 52 -13.716 -14.991 -9.895 1.00 33.14 C ATOM 799 CD PRO A 52 -14.430 -15.472 -11.128 1.00 22.23 C ATOM 0 HA PRO A 52 -15.416 -17.674 -8.936 1.00 24.11 H new ATOM 0 HB2 PRO A 52 -13.877 -15.627 -7.856 1.00 71.30 H new ATOM 0 HB3 PRO A 52 -13.160 -16.817 -8.924 1.00 71.30 H new ATOM 0 HG2 PRO A 52 -14.115 -14.033 -9.562 1.00 33.14 H new ATOM 0 HG3 PRO A 52 -12.654 -14.843 -10.092 1.00 33.14 H new ATOM 0 HD2 PRO A 52 -14.839 -14.642 -11.705 1.00 22.23 H new ATOM 0 HD3 PRO A 52 -13.762 -16.022 -11.791 1.00 22.23 H new ATOM 807 N THR A 53 -16.436 -16.308 -7.032 1.00 73.51 N ATOM 808 CA THR A 53 -17.401 -15.728 -6.106 1.00 45.24 C ATOM 809 C THR A 53 -17.278 -14.209 -6.066 1.00 52.11 C ATOM 810 O THR A 53 -16.265 -13.633 -6.462 1.00 5.12 O ATOM 811 CB THR A 53 -17.217 -16.284 -4.682 1.00 31.22 C ATOM 812 OG1 THR A 53 -15.849 -16.651 -4.472 1.00 1.15 O ATOM 813 CG2 THR A 53 -18.112 -17.493 -4.453 1.00 52.25 C ATOM 0 H THR A 53 -15.832 -17.020 -6.621 1.00 73.51 H new ATOM 0 HA THR A 53 -18.392 -16.001 -6.469 1.00 45.24 H new ATOM 0 HB THR A 53 -17.497 -15.505 -3.973 1.00 31.22 H new ATOM 0 HG1 THR A 53 -15.721 -17.591 -4.716 1.00 1.15 H new ATOM 0 HG21 THR A 53 -17.965 -17.868 -3.440 1.00 52.25 H new ATOM 0 HG22 THR A 53 -19.155 -17.204 -4.585 1.00 52.25 H new ATOM 0 HG23 THR A 53 -17.859 -18.274 -5.170 1.00 52.25 H new ATOM 821 N PRO A 54 -18.334 -13.542 -5.576 1.00 60.23 N ATOM 822 CA PRO A 54 -18.368 -12.080 -5.472 1.00 20.45 C ATOM 823 C PRO A 54 -17.416 -11.553 -4.403 1.00 63.45 C ATOM 824 O PRO A 54 -16.685 -10.590 -4.632 1.00 14.22 O ATOM 825 CB PRO A 54 -19.820 -11.786 -5.086 1.00 23.12 C ATOM 826 CG PRO A 54 -20.291 -13.027 -4.410 1.00 73.45 C ATOM 827 CD PRO A 54 -19.576 -14.164 -5.086 1.00 64.14 C ATOM 0 HA PRO A 54 -18.052 -11.598 -6.397 1.00 20.45 H new ATOM 0 HB2 PRO A 54 -19.886 -10.924 -4.422 1.00 23.12 H new ATOM 0 HB3 PRO A 54 -20.425 -11.559 -5.964 1.00 23.12 H new ATOM 0 HG2 PRO A 54 -20.063 -13.001 -3.344 1.00 73.45 H new ATOM 0 HG3 PRO A 54 -21.372 -13.136 -4.502 1.00 73.45 H new ATOM 0 HD2 PRO A 54 -19.371 -14.979 -4.392 1.00 64.14 H new ATOM 0 HD3 PRO A 54 -20.166 -14.581 -5.902 1.00 64.14 H new ATOM 835 N GLU A 55 -17.429 -12.192 -3.238 1.00 31.42 N ATOM 836 CA GLU A 55 -16.566 -11.786 -2.135 1.00 21.31 C ATOM 837 C GLU A 55 -15.097 -12.003 -2.486 1.00 23.45 C ATOM 838 O GLU A 55 -14.217 -11.317 -1.967 1.00 22.33 O ATOM 839 CB GLU A 55 -16.920 -12.567 -0.867 1.00 42.51 C ATOM 840 CG GLU A 55 -18.385 -12.462 -0.477 1.00 64.00 C ATOM 841 CD GLU A 55 -18.754 -13.398 0.657 1.00 14.14 C ATOM 842 OE1 GLU A 55 -17.977 -13.487 1.631 1.00 74.33 O ATOM 843 OE2 GLU A 55 -19.822 -14.041 0.571 1.00 3.32 O ATOM 0 H GLU A 55 -18.027 -12.992 -3.033 1.00 31.42 H new ATOM 0 HA GLU A 55 -16.725 -10.723 -1.954 1.00 21.31 H new ATOM 0 HB2 GLU A 55 -16.666 -13.617 -1.014 1.00 42.51 H new ATOM 0 HB3 GLU A 55 -16.306 -12.203 -0.043 1.00 42.51 H new ATOM 0 HG2 GLU A 55 -18.606 -11.436 -0.183 1.00 64.00 H new ATOM 0 HG3 GLU A 55 -19.005 -12.686 -1.345 1.00 64.00 H new ATOM 850 N GLU A 56 -14.841 -12.963 -3.369 1.00 62.20 N ATOM 851 CA GLU A 56 -13.478 -13.272 -3.788 1.00 14.34 C ATOM 852 C GLU A 56 -12.809 -12.048 -4.405 1.00 42.54 C ATOM 853 O GLU A 56 -11.635 -11.773 -4.151 1.00 72.12 O ATOM 854 CB GLU A 56 -13.479 -14.427 -4.791 1.00 23.13 C ATOM 855 CG GLU A 56 -12.891 -15.714 -4.237 1.00 35.34 C ATOM 856 CD GLU A 56 -11.436 -15.567 -3.839 1.00 23.54 C ATOM 857 OE1 GLU A 56 -10.697 -14.851 -4.546 1.00 53.52 O ATOM 858 OE2 GLU A 56 -11.035 -16.169 -2.821 1.00 23.14 O ATOM 0 H GLU A 56 -15.559 -13.540 -3.808 1.00 62.20 H new ATOM 0 HA GLU A 56 -12.911 -13.568 -2.905 1.00 14.34 H new ATOM 0 HB2 GLU A 56 -14.503 -14.615 -5.115 1.00 23.13 H new ATOM 0 HB3 GLU A 56 -12.914 -14.130 -5.675 1.00 23.13 H new ATOM 0 HG2 GLU A 56 -13.471 -16.030 -3.370 1.00 35.34 H new ATOM 0 HG3 GLU A 56 -12.981 -16.502 -4.985 1.00 35.34 H new ATOM 865 N LEU A 57 -13.562 -11.316 -5.218 1.00 54.45 N ATOM 866 CA LEU A 57 -13.043 -10.120 -5.874 1.00 30.31 C ATOM 867 C LEU A 57 -12.478 -9.140 -4.851 1.00 22.32 C ATOM 868 O LEU A 57 -11.338 -8.692 -4.971 1.00 51.04 O ATOM 869 CB LEU A 57 -14.145 -9.443 -6.691 1.00 62.30 C ATOM 870 CG LEU A 57 -14.439 -10.058 -8.060 1.00 35.23 C ATOM 871 CD1 LEU A 57 -13.168 -10.149 -8.889 1.00 21.41 C ATOM 872 CD2 LEU A 57 -15.075 -11.432 -7.902 1.00 0.24 C ATOM 0 H LEU A 57 -14.535 -11.529 -5.439 1.00 54.45 H new ATOM 0 HA LEU A 57 -12.238 -10.423 -6.543 1.00 30.31 H new ATOM 0 HB2 LEU A 57 -15.064 -9.455 -6.105 1.00 62.30 H new ATOM 0 HB3 LEU A 57 -13.872 -8.398 -6.835 1.00 62.30 H new ATOM 0 HG LEU A 57 -15.143 -9.412 -8.583 1.00 35.23 H new ATOM 0 HD11 LEU A 57 -13.397 -10.589 -9.859 1.00 21.41 H new ATOM 0 HD12 LEU A 57 -12.755 -9.151 -9.032 1.00 21.41 H new ATOM 0 HD13 LEU A 57 -12.440 -10.773 -8.371 1.00 21.41 H new ATOM 0 HD21 LEU A 57 -15.277 -11.855 -8.886 1.00 0.24 H new ATOM 0 HD22 LEU A 57 -14.395 -12.088 -7.358 1.00 0.24 H new ATOM 0 HD23 LEU A 57 -16.009 -11.339 -7.348 1.00 0.24 H new ATOM 884 N GLN A 58 -13.282 -8.814 -3.844 1.00 60.51 N ATOM 885 CA GLN A 58 -12.861 -7.889 -2.799 1.00 44.22 C ATOM 886 C GLN A 58 -11.665 -8.442 -2.031 1.00 62.43 C ATOM 887 O GLN A 58 -10.882 -7.687 -1.456 1.00 32.44 O ATOM 888 CB GLN A 58 -14.017 -7.613 -1.836 1.00 43.14 C ATOM 889 CG GLN A 58 -13.597 -6.869 -0.579 1.00 41.51 C ATOM 890 CD GLN A 58 -13.038 -5.491 -0.876 1.00 1.03 C ATOM 891 OE1 GLN A 58 -13.728 -4.634 -1.428 1.00 51.02 O ATOM 892 NE2 GLN A 58 -11.781 -5.270 -0.509 1.00 62.40 N ATOM 0 H GLN A 58 -14.228 -9.177 -3.730 1.00 60.51 H new ATOM 0 HA GLN A 58 -12.563 -6.955 -3.275 1.00 44.22 H new ATOM 0 HB2 GLN A 58 -14.780 -7.032 -2.354 1.00 43.14 H new ATOM 0 HB3 GLN A 58 -14.476 -8.560 -1.552 1.00 43.14 H new ATOM 0 HG2 GLN A 58 -14.455 -6.773 0.086 1.00 41.51 H new ATOM 0 HG3 GLN A 58 -12.847 -7.455 -0.048 1.00 41.51 H new ATOM 0 HE21 GLN A 58 -11.245 -6.009 -0.054 1.00 62.40 H new ATOM 0 HE22 GLN A 58 -11.351 -4.361 -0.682 1.00 62.40 H new ATOM 901 N GLU A 59 -11.531 -9.765 -2.027 1.00 71.14 N ATOM 902 CA GLU A 59 -10.431 -10.419 -1.329 1.00 2.23 C ATOM 903 C GLU A 59 -9.086 -9.977 -1.898 1.00 63.45 C ATOM 904 O GLU A 59 -8.213 -9.510 -1.167 1.00 55.21 O ATOM 905 CB GLU A 59 -10.565 -11.940 -1.429 1.00 53.32 C ATOM 906 CG GLU A 59 -9.854 -12.689 -0.315 1.00 12.42 C ATOM 907 CD GLU A 59 -10.002 -14.193 -0.436 1.00 42.11 C ATOM 908 OE1 GLU A 59 -9.178 -14.814 -1.140 1.00 31.32 O ATOM 909 OE2 GLU A 59 -10.940 -14.749 0.172 1.00 53.52 O ATOM 0 H GLU A 59 -12.170 -10.404 -2.499 1.00 71.14 H new ATOM 0 HA GLU A 59 -10.476 -10.127 -0.280 1.00 2.23 H new ATOM 0 HB2 GLU A 59 -11.622 -12.205 -1.416 1.00 53.32 H new ATOM 0 HB3 GLU A 59 -10.166 -12.269 -2.389 1.00 53.32 H new ATOM 0 HG2 GLU A 59 -8.795 -12.430 -0.326 1.00 12.42 H new ATOM 0 HG3 GLU A 59 -10.251 -12.365 0.647 1.00 12.42 H new ATOM 916 N MET A 60 -8.926 -10.131 -3.209 1.00 0.41 N ATOM 917 CA MET A 60 -7.688 -9.747 -3.877 1.00 62.44 C ATOM 918 C MET A 60 -7.522 -8.231 -3.887 1.00 70.11 C ATOM 919 O MET A 60 -6.403 -7.720 -3.943 1.00 21.42 O ATOM 920 CB MET A 60 -7.670 -10.283 -5.310 1.00 62.32 C ATOM 921 CG MET A 60 -7.496 -11.791 -5.393 1.00 31.21 C ATOM 922 SD MET A 60 -7.681 -12.421 -7.072 1.00 42.55 S ATOM 923 CE MET A 60 -7.947 -14.163 -6.754 1.00 1.12 C ATOM 0 H MET A 60 -9.637 -10.519 -3.829 1.00 0.41 H new ATOM 0 HA MET A 60 -6.856 -10.182 -3.323 1.00 62.44 H new ATOM 0 HB2 MET A 60 -8.601 -10.005 -5.805 1.00 62.32 H new ATOM 0 HB3 MET A 60 -6.861 -9.801 -5.859 1.00 62.32 H new ATOM 0 HG2 MET A 60 -6.510 -12.060 -5.015 1.00 31.21 H new ATOM 0 HG3 MET A 60 -8.228 -12.273 -4.746 1.00 31.21 H new ATOM 0 HE1 MET A 60 -7.866 -14.720 -7.688 1.00 1.12 H new ATOM 0 HE2 MET A 60 -7.196 -14.523 -6.051 1.00 1.12 H new ATOM 0 HE3 MET A 60 -8.941 -14.308 -6.330 1.00 1.12 H new ATOM 933 N ILE A 61 -8.642 -7.518 -3.833 1.00 44.41 N ATOM 934 CA ILE A 61 -8.619 -6.060 -3.835 1.00 21.20 C ATOM 935 C ILE A 61 -8.244 -5.514 -2.461 1.00 74.42 C ATOM 936 O ILE A 61 -7.757 -4.391 -2.340 1.00 44.53 O ATOM 937 CB ILE A 61 -9.982 -5.477 -4.253 1.00 5.52 C ATOM 938 CG1 ILE A 61 -10.264 -5.785 -5.725 1.00 25.44 C ATOM 939 CG2 ILE A 61 -10.013 -3.976 -4.005 1.00 51.34 C ATOM 940 CD1 ILE A 61 -11.579 -5.226 -6.218 1.00 54.21 C ATOM 0 H ILE A 61 -9.576 -7.926 -3.787 1.00 44.41 H new ATOM 0 HA ILE A 61 -7.865 -5.757 -4.561 1.00 21.20 H new ATOM 0 HB ILE A 61 -10.761 -5.943 -3.649 1.00 5.52 H new ATOM 0 HG12 ILE A 61 -9.455 -5.380 -6.334 1.00 25.44 H new ATOM 0 HG13 ILE A 61 -10.261 -6.865 -5.869 1.00 25.44 H new ATOM 0 HG21 ILE A 61 -10.982 -3.578 -4.305 1.00 51.34 H new ATOM 0 HG22 ILE A 61 -9.852 -3.779 -2.945 1.00 51.34 H new ATOM 0 HG23 ILE A 61 -9.227 -3.495 -4.587 1.00 51.34 H new ATOM 0 HD11 ILE A 61 -11.712 -5.483 -7.269 1.00 54.21 H new ATOM 0 HD12 ILE A 61 -12.396 -5.650 -5.634 1.00 54.21 H new ATOM 0 HD13 ILE A 61 -11.578 -4.142 -6.107 1.00 54.21 H new ATOM 952 N ASP A 62 -8.474 -6.318 -1.429 1.00 33.12 N ATOM 953 CA ASP A 62 -8.158 -5.917 -0.063 1.00 34.33 C ATOM 954 C ASP A 62 -6.650 -5.911 0.167 1.00 73.11 C ATOM 955 O ASP A 62 -6.124 -5.050 0.872 1.00 73.44 O ATOM 956 CB ASP A 62 -8.835 -6.857 0.937 1.00 70.15 C ATOM 957 CG ASP A 62 -9.028 -6.215 2.296 1.00 3.22 C ATOM 958 OD1 ASP A 62 -9.834 -5.266 2.395 1.00 21.50 O ATOM 959 OD2 ASP A 62 -8.372 -6.660 3.261 1.00 3.14 O ATOM 0 H ASP A 62 -8.878 -7.251 -1.512 1.00 33.12 H new ATOM 0 HA ASP A 62 -8.535 -4.905 0.088 1.00 34.33 H new ATOM 0 HB2 ASP A 62 -9.804 -7.165 0.543 1.00 70.15 H new ATOM 0 HB3 ASP A 62 -8.234 -7.760 1.047 1.00 70.15 H new ATOM 964 N GLU A 63 -5.962 -6.878 -0.432 1.00 45.52 N ATOM 965 CA GLU A 63 -4.514 -6.984 -0.291 1.00 11.54 C ATOM 966 C GLU A 63 -3.809 -5.874 -1.066 1.00 60.52 C ATOM 967 O GLU A 63 -2.779 -5.357 -0.634 1.00 21.33 O ATOM 968 CB GLU A 63 -4.030 -8.350 -0.780 1.00 32.10 C ATOM 969 CG GLU A 63 -3.677 -9.309 0.344 1.00 22.14 C ATOM 970 CD GLU A 63 -4.657 -9.240 1.499 1.00 22.45 C ATOM 971 OE1 GLU A 63 -5.876 -9.339 1.249 1.00 73.35 O ATOM 972 OE2 GLU A 63 -4.205 -9.087 2.653 1.00 31.54 O ATOM 0 H GLU A 63 -6.383 -7.598 -1.019 1.00 45.52 H new ATOM 0 HA GLU A 63 -4.269 -6.877 0.766 1.00 11.54 H new ATOM 0 HB2 GLU A 63 -4.805 -8.800 -1.400 1.00 32.10 H new ATOM 0 HB3 GLU A 63 -3.155 -8.210 -1.415 1.00 32.10 H new ATOM 0 HG2 GLU A 63 -3.652 -10.327 -0.046 1.00 22.14 H new ATOM 0 HG3 GLU A 63 -2.675 -9.083 0.709 1.00 22.14 H new ATOM 979 N VAL A 64 -4.371 -5.514 -2.216 1.00 34.54 N ATOM 980 CA VAL A 64 -3.798 -4.467 -3.052 1.00 51.02 C ATOM 981 C VAL A 64 -4.192 -3.083 -2.547 1.00 61.45 C ATOM 982 O VAL A 64 -3.416 -2.132 -2.644 1.00 32.25 O ATOM 983 CB VAL A 64 -4.245 -4.613 -4.519 1.00 42.30 C ATOM 984 CG1 VAL A 64 -3.842 -5.973 -5.067 1.00 75.33 C ATOM 985 CG2 VAL A 64 -5.746 -4.402 -4.642 1.00 34.24 C ATOM 0 H VAL A 64 -5.223 -5.933 -2.589 1.00 34.54 H new ATOM 0 HA VAL A 64 -2.715 -4.575 -2.997 1.00 51.02 H new ATOM 0 HB VAL A 64 -3.744 -3.847 -5.111 1.00 42.30 H new ATOM 0 HG11 VAL A 64 -4.166 -6.058 -6.104 1.00 75.33 H new ATOM 0 HG12 VAL A 64 -2.758 -6.079 -5.015 1.00 75.33 H new ATOM 0 HG13 VAL A 64 -4.312 -6.758 -4.475 1.00 75.33 H new ATOM 0 HG21 VAL A 64 -6.044 -4.509 -5.685 1.00 34.24 H new ATOM 0 HG22 VAL A 64 -6.268 -5.143 -4.038 1.00 34.24 H new ATOM 0 HG23 VAL A 64 -6.003 -3.402 -4.292 1.00 34.24 H new ATOM 995 N ASP A 65 -5.402 -2.979 -2.009 1.00 41.52 N ATOM 996 CA ASP A 65 -5.899 -1.711 -1.487 1.00 52.01 C ATOM 997 C ASP A 65 -5.183 -1.338 -0.193 1.00 0.12 C ATOM 998 O ASP A 65 -5.726 -1.506 0.898 1.00 14.43 O ATOM 999 CB ASP A 65 -7.407 -1.791 -1.245 1.00 73.12 C ATOM 1000 CG ASP A 65 -8.004 -0.452 -0.860 1.00 2.32 C ATOM 1001 OD1 ASP A 65 -7.306 0.574 -1.007 1.00 25.54 O ATOM 1002 OD2 ASP A 65 -9.169 -0.428 -0.412 1.00 72.42 O ATOM 0 H ASP A 65 -6.056 -3.757 -1.923 1.00 41.52 H new ATOM 0 HA ASP A 65 -5.698 -0.937 -2.228 1.00 52.01 H new ATOM 0 HB2 ASP A 65 -7.898 -2.158 -2.146 1.00 73.12 H new ATOM 0 HB3 ASP A 65 -7.607 -2.515 -0.455 1.00 73.12 H new ATOM 1007 N GLU A 66 -3.960 -0.832 -0.323 1.00 74.44 N ATOM 1008 CA GLU A 66 -3.170 -0.438 0.837 1.00 42.14 C ATOM 1009 C GLU A 66 -3.760 0.802 1.501 1.00 13.42 C ATOM 1010 O GLU A 66 -3.491 1.081 2.670 1.00 40.33 O ATOM 1011 CB GLU A 66 -1.720 -0.169 0.426 1.00 15.22 C ATOM 1012 CG GLU A 66 -1.573 0.956 -0.584 1.00 41.42 C ATOM 1013 CD GLU A 66 -1.484 2.321 0.071 1.00 21.11 C ATOM 1014 OE1 GLU A 66 -0.862 2.423 1.149 1.00 63.21 O ATOM 1015 OE2 GLU A 66 -2.037 3.287 -0.495 1.00 1.32 O ATOM 0 H GLU A 66 -3.496 -0.686 -1.219 1.00 74.44 H new ATOM 0 HA GLU A 66 -3.191 -1.258 1.555 1.00 42.14 H new ATOM 0 HB2 GLU A 66 -1.138 0.074 1.315 1.00 15.22 H new ATOM 0 HB3 GLU A 66 -1.295 -1.081 0.006 1.00 15.22 H new ATOM 0 HG2 GLU A 66 -0.679 0.786 -1.184 1.00 41.42 H new ATOM 0 HG3 GLU A 66 -2.423 0.940 -1.267 1.00 41.42 H new ATOM 1022 N ASP A 67 -4.566 1.543 0.748 1.00 20.20 N ATOM 1023 CA ASP A 67 -5.196 2.753 1.263 1.00 44.21 C ATOM 1024 C ASP A 67 -6.579 2.448 1.829 1.00 61.31 C ATOM 1025 O ASP A 67 -7.224 3.313 2.419 1.00 31.25 O ATOM 1026 CB ASP A 67 -5.304 3.807 0.159 1.00 23.52 C ATOM 1027 CG ASP A 67 -5.830 3.231 -1.141 1.00 23.11 C ATOM 1028 OD1 ASP A 67 -5.093 2.458 -1.788 1.00 41.01 O ATOM 1029 OD2 ASP A 67 -6.978 3.554 -1.512 1.00 21.13 O ATOM 0 H ASP A 67 -4.798 1.327 -0.221 1.00 20.20 H new ATOM 0 HA ASP A 67 -4.572 3.143 2.068 1.00 44.21 H new ATOM 0 HB2 ASP A 67 -5.963 4.610 0.490 1.00 23.52 H new ATOM 0 HB3 ASP A 67 -4.323 4.250 -0.014 1.00 23.52 H new ATOM 1034 N GLY A 68 -7.029 1.210 1.643 1.00 40.42 N ATOM 1035 CA GLY A 68 -8.333 0.813 2.140 1.00 73.04 C ATOM 1036 C GLY A 68 -9.435 1.752 1.691 1.00 74.03 C ATOM 1037 O GLY A 68 -10.326 2.092 2.470 1.00 44.44 O ATOM 0 H GLY A 68 -6.514 0.476 1.157 1.00 40.42 H new ATOM 0 HA2 GLY A 68 -8.558 -0.197 1.796 1.00 73.04 H new ATOM 0 HA3 GLY A 68 -8.309 0.781 3.229 1.00 73.04 H new ATOM 1041 N SER A 69 -9.375 2.173 0.431 1.00 14.24 N ATOM 1042 CA SER A 69 -10.373 3.083 -0.119 1.00 14.14 C ATOM 1043 C SER A 69 -11.694 2.359 -0.361 1.00 32.13 C ATOM 1044 O SER A 69 -12.766 2.959 -0.292 1.00 41.14 O ATOM 1045 CB SER A 69 -9.869 3.698 -1.426 1.00 23.35 C ATOM 1046 OG SER A 69 -9.349 2.702 -2.290 1.00 52.30 O ATOM 0 H SER A 69 -8.646 1.898 -0.228 1.00 14.24 H new ATOM 0 HA SER A 69 -10.542 3.878 0.607 1.00 14.14 H new ATOM 0 HB2 SER A 69 -10.684 4.225 -1.922 1.00 23.35 H new ATOM 0 HB3 SER A 69 -9.097 4.436 -1.210 1.00 23.35 H new ATOM 1052 N GLY A 70 -11.608 1.063 -0.644 1.00 61.33 N ATOM 1053 CA GLY A 70 -12.802 0.277 -0.893 1.00 33.44 C ATOM 1054 C GLY A 70 -13.004 -0.022 -2.365 1.00 21.31 C ATOM 1055 O GLY A 70 -13.977 -0.673 -2.747 1.00 71.12 O ATOM 0 H GLY A 70 -10.732 0.543 -0.705 1.00 61.33 H new ATOM 0 HA2 GLY A 70 -12.738 -0.661 -0.341 1.00 33.44 H new ATOM 0 HA3 GLY A 70 -13.672 0.812 -0.512 1.00 33.44 H new ATOM 1059 N THR A 71 -12.083 0.455 -3.196 1.00 5.31 N ATOM 1060 CA THR A 71 -12.165 0.238 -4.635 1.00 1.43 C ATOM 1061 C THR A 71 -10.777 0.182 -5.263 1.00 10.23 C ATOM 1062 O THR A 71 -9.782 0.529 -4.626 1.00 20.41 O ATOM 1063 CB THR A 71 -12.983 1.346 -5.324 1.00 13.51 C ATOM 1064 OG1 THR A 71 -13.060 2.498 -4.476 1.00 50.03 O ATOM 1065 CG2 THR A 71 -14.386 0.858 -5.653 1.00 10.22 C ATOM 0 H THR A 71 -11.271 0.995 -2.897 1.00 5.31 H new ATOM 0 HA THR A 71 -12.666 -0.719 -4.782 1.00 1.43 H new ATOM 0 HB THR A 71 -12.481 1.613 -6.254 1.00 13.51 H new ATOM 0 HG1 THR A 71 -13.580 3.198 -4.922 1.00 50.03 H new ATOM 0 HG21 THR A 71 -14.945 1.658 -6.139 1.00 10.22 H new ATOM 0 HG22 THR A 71 -14.325 -0.000 -6.322 1.00 10.22 H new ATOM 0 HG23 THR A 71 -14.895 0.567 -4.734 1.00 10.22 H new ATOM 1073 N VAL A 72 -10.717 -0.256 -6.516 1.00 41.23 N ATOM 1074 CA VAL A 72 -9.450 -0.356 -7.231 1.00 53.43 C ATOM 1075 C VAL A 72 -9.290 0.787 -8.228 1.00 73.20 C ATOM 1076 O VAL A 72 -10.078 0.922 -9.165 1.00 24.21 O ATOM 1077 CB VAL A 72 -9.333 -1.696 -7.981 1.00 21.23 C ATOM 1078 CG1 VAL A 72 -8.334 -1.584 -9.122 1.00 71.24 C ATOM 1079 CG2 VAL A 72 -8.937 -2.809 -7.022 1.00 43.00 C ATOM 0 H VAL A 72 -11.531 -0.547 -7.057 1.00 41.23 H new ATOM 0 HA VAL A 72 -8.659 -0.296 -6.483 1.00 53.43 H new ATOM 0 HB VAL A 72 -10.306 -1.942 -8.406 1.00 21.23 H new ATOM 0 HG11 VAL A 72 -8.265 -2.540 -9.640 1.00 71.24 H new ATOM 0 HG12 VAL A 72 -8.665 -0.816 -9.821 1.00 71.24 H new ATOM 0 HG13 VAL A 72 -7.356 -1.315 -8.724 1.00 71.24 H new ATOM 0 HG21 VAL A 72 -8.859 -3.749 -7.568 1.00 43.00 H new ATOM 0 HG22 VAL A 72 -7.975 -2.572 -6.567 1.00 43.00 H new ATOM 0 HG23 VAL A 72 -9.693 -2.904 -6.243 1.00 43.00 H new ATOM 1089 N ASP A 73 -8.266 1.607 -8.020 1.00 71.21 N ATOM 1090 CA ASP A 73 -8.001 2.738 -8.901 1.00 70.04 C ATOM 1091 C ASP A 73 -6.944 2.380 -9.942 1.00 12.32 C ATOM 1092 O ASP A 73 -6.449 1.254 -9.977 1.00 72.41 O ATOM 1093 CB ASP A 73 -7.544 3.950 -8.088 1.00 31.22 C ATOM 1094 CG ASP A 73 -8.041 5.259 -8.670 1.00 21.44 C ATOM 1095 OD1 ASP A 73 -9.187 5.290 -9.165 1.00 3.22 O ATOM 1096 OD2 ASP A 73 -7.284 6.251 -8.631 1.00 4.14 O ATOM 0 H ASP A 73 -7.606 1.510 -7.249 1.00 71.21 H new ATOM 0 HA ASP A 73 -8.927 2.987 -9.420 1.00 70.04 H new ATOM 0 HB2 ASP A 73 -7.902 3.852 -7.063 1.00 31.22 H new ATOM 0 HB3 ASP A 73 -6.455 3.965 -8.045 1.00 31.22 H new ATOM 1101 N PHE A 74 -6.604 3.347 -10.788 1.00 63.42 N ATOM 1102 CA PHE A 74 -5.607 3.133 -11.831 1.00 52.13 C ATOM 1103 C PHE A 74 -4.276 2.693 -11.230 1.00 2.14 C ATOM 1104 O PHE A 74 -3.524 1.937 -11.845 1.00 20.22 O ATOM 1105 CB PHE A 74 -5.412 4.411 -12.649 1.00 54.43 C ATOM 1106 CG PHE A 74 -4.339 4.297 -13.694 1.00 32.02 C ATOM 1107 CD1 PHE A 74 -4.147 3.110 -14.382 1.00 31.45 C ATOM 1108 CD2 PHE A 74 -3.522 5.377 -13.988 1.00 30.34 C ATOM 1109 CE1 PHE A 74 -3.161 3.001 -15.344 1.00 24.04 C ATOM 1110 CE2 PHE A 74 -2.534 5.274 -14.949 1.00 13.21 C ATOM 1111 CZ PHE A 74 -2.353 4.085 -15.627 1.00 24.51 C ATOM 0 H PHE A 74 -7.004 4.285 -10.772 1.00 63.42 H new ATOM 0 HA PHE A 74 -5.969 2.341 -12.487 1.00 52.13 H new ATOM 0 HB2 PHE A 74 -6.354 4.670 -13.133 1.00 54.43 H new ATOM 0 HB3 PHE A 74 -5.165 5.231 -11.974 1.00 54.43 H new ATOM 0 HD1 PHE A 74 -4.776 2.259 -14.164 1.00 31.45 H new ATOM 0 HD2 PHE A 74 -3.659 6.309 -13.460 1.00 30.34 H new ATOM 0 HE1 PHE A 74 -3.022 2.070 -15.874 1.00 24.04 H new ATOM 0 HE2 PHE A 74 -1.904 6.123 -15.169 1.00 13.21 H new ATOM 0 HZ PHE A 74 -1.581 4.003 -16.378 1.00 24.51 H new ATOM 1121 N ASP A 75 -3.991 3.173 -10.024 1.00 32.52 N ATOM 1122 CA ASP A 75 -2.751 2.829 -9.338 1.00 12.15 C ATOM 1123 C ASP A 75 -2.780 1.382 -8.855 1.00 1.31 C ATOM 1124 O ASP A 75 -1.949 0.568 -9.255 1.00 44.34 O ATOM 1125 CB ASP A 75 -2.521 3.770 -8.154 1.00 2.10 C ATOM 1126 CG ASP A 75 -2.797 5.219 -8.504 1.00 44.12 C ATOM 1127 OD1 ASP A 75 -2.406 5.647 -9.611 1.00 14.11 O ATOM 1128 OD2 ASP A 75 -3.403 5.925 -7.672 1.00 54.11 O ATOM 0 H ASP A 75 -4.602 3.801 -9.502 1.00 32.52 H new ATOM 0 HA ASP A 75 -1.930 2.940 -10.046 1.00 12.15 H new ATOM 0 HB2 ASP A 75 -3.163 3.471 -7.326 1.00 2.10 H new ATOM 0 HB3 ASP A 75 -1.491 3.672 -7.810 1.00 2.10 H new ATOM 1133 N GLU A 76 -3.742 1.071 -7.992 1.00 22.42 N ATOM 1134 CA GLU A 76 -3.877 -0.278 -7.454 1.00 4.15 C ATOM 1135 C GLU A 76 -4.106 -1.290 -8.572 1.00 44.14 C ATOM 1136 O GLU A 76 -3.601 -2.411 -8.522 1.00 23.51 O ATOM 1137 CB GLU A 76 -5.032 -0.338 -6.452 1.00 70.12 C ATOM 1138 CG GLU A 76 -4.882 0.630 -5.291 1.00 11.21 C ATOM 1139 CD GLU A 76 -6.215 1.034 -4.692 1.00 74.01 C ATOM 1140 OE1 GLU A 76 -7.087 0.154 -4.536 1.00 73.20 O ATOM 1141 OE2 GLU A 76 -6.386 2.231 -4.379 1.00 74.12 O ATOM 0 H GLU A 76 -4.438 1.734 -7.651 1.00 22.42 H new ATOM 0 HA GLU A 76 -2.948 -0.532 -6.943 1.00 4.15 H new ATOM 0 HB2 GLU A 76 -5.965 -0.125 -6.973 1.00 70.12 H new ATOM 0 HB3 GLU A 76 -5.110 -1.352 -6.061 1.00 70.12 H new ATOM 0 HG2 GLU A 76 -4.265 0.172 -4.518 1.00 11.21 H new ATOM 0 HG3 GLU A 76 -4.356 1.522 -5.632 1.00 11.21 H new ATOM 1148 N TRP A 77 -4.870 -0.885 -9.580 1.00 71.51 N ATOM 1149 CA TRP A 77 -5.167 -1.757 -10.712 1.00 11.25 C ATOM 1150 C TRP A 77 -3.893 -2.130 -11.461 1.00 4.24 C ATOM 1151 O TRP A 77 -3.733 -3.267 -11.907 1.00 11.22 O ATOM 1152 CB TRP A 77 -6.151 -1.074 -11.663 1.00 32.12 C ATOM 1153 CG TRP A 77 -6.725 -2.002 -12.690 1.00 61.24 C ATOM 1154 CD1 TRP A 77 -7.922 -2.656 -12.627 1.00 20.55 C ATOM 1155 CD2 TRP A 77 -6.125 -2.380 -13.934 1.00 63.10 C ATOM 1156 NE1 TRP A 77 -8.102 -3.419 -13.756 1.00 0.44 N ATOM 1157 CE2 TRP A 77 -7.014 -3.266 -14.574 1.00 10.33 C ATOM 1158 CE3 TRP A 77 -4.924 -2.055 -14.570 1.00 62.34 C ATOM 1159 CZ2 TRP A 77 -6.738 -3.829 -15.817 1.00 24.04 C ATOM 1160 CZ3 TRP A 77 -4.651 -2.616 -15.804 1.00 3.42 C ATOM 1161 CH2 TRP A 77 -5.554 -3.494 -16.417 1.00 15.42 C ATOM 0 H TRP A 77 -5.295 0.040 -9.637 1.00 71.51 H new ATOM 0 HA TRP A 77 -5.620 -2.671 -10.326 1.00 11.25 H new ATOM 0 HB2 TRP A 77 -6.964 -0.639 -11.082 1.00 32.12 H new ATOM 0 HB3 TRP A 77 -5.645 -0.252 -12.169 1.00 32.12 H new ATOM 0 HD1 TRP A 77 -8.624 -2.584 -11.810 1.00 20.55 H new ATOM 0 HE1 TRP A 77 -8.914 -4.004 -13.953 1.00 0.44 H new ATOM 0 HE3 TRP A 77 -4.222 -1.378 -14.106 1.00 62.34 H new ATOM 0 HZ2 TRP A 77 -7.433 -4.506 -16.291 1.00 24.04 H new ATOM 0 HZ3 TRP A 77 -3.725 -2.373 -16.304 1.00 3.42 H new ATOM 0 HH2 TRP A 77 -5.311 -3.915 -17.382 1.00 15.42 H new ATOM 1172 N LEU A 78 -2.987 -1.167 -11.595 1.00 55.13 N ATOM 1173 CA LEU A 78 -1.726 -1.395 -12.291 1.00 4.01 C ATOM 1174 C LEU A 78 -0.868 -2.411 -11.544 1.00 22.13 C ATOM 1175 O LEU A 78 -0.431 -3.410 -12.115 1.00 71.30 O ATOM 1176 CB LEU A 78 -0.960 -0.079 -12.445 1.00 33.44 C ATOM 1177 CG LEU A 78 -0.459 0.245 -13.852 1.00 53.13 C ATOM 1178 CD1 LEU A 78 -0.495 1.745 -14.099 1.00 54.32 C ATOM 1179 CD2 LEU A 78 0.948 -0.297 -14.056 1.00 0.03 C ATOM 0 H LEU A 78 -3.103 -0.221 -11.231 1.00 55.13 H new ATOM 0 HA LEU A 78 -1.952 -1.794 -13.280 1.00 4.01 H new ATOM 0 HB2 LEU A 78 -1.606 0.735 -12.115 1.00 33.44 H new ATOM 0 HB3 LEU A 78 -0.103 -0.100 -11.772 1.00 33.44 H new ATOM 0 HG LEU A 78 -1.120 -0.237 -14.572 1.00 53.13 H new ATOM 0 HD11 LEU A 78 -0.135 1.957 -15.106 1.00 54.32 H new ATOM 0 HD12 LEU A 78 -1.518 2.106 -13.996 1.00 54.32 H new ATOM 0 HD13 LEU A 78 0.142 2.249 -13.372 1.00 54.32 H new ATOM 0 HD21 LEU A 78 1.288 -0.057 -15.063 1.00 0.03 H new ATOM 0 HD22 LEU A 78 1.621 0.156 -13.328 1.00 0.03 H new ATOM 0 HD23 LEU A 78 0.944 -1.379 -13.923 1.00 0.03 H new ATOM 1191 N VAL A 79 -0.632 -2.150 -10.262 1.00 22.02 N ATOM 1192 CA VAL A 79 0.171 -3.043 -9.435 1.00 32.22 C ATOM 1193 C VAL A 79 -0.479 -4.417 -9.319 1.00 73.31 C ATOM 1194 O VAL A 79 0.207 -5.433 -9.210 1.00 44.35 O ATOM 1195 CB VAL A 79 0.378 -2.465 -8.022 1.00 65.04 C ATOM 1196 CG1 VAL A 79 -0.960 -2.146 -7.374 1.00 1.51 C ATOM 1197 CG2 VAL A 79 1.179 -3.432 -7.164 1.00 31.44 C ATOM 0 H VAL A 79 -0.986 -1.327 -9.774 1.00 22.02 H new ATOM 0 HA VAL A 79 1.140 -3.142 -9.925 1.00 32.22 H new ATOM 0 HB VAL A 79 0.943 -1.537 -8.107 1.00 65.04 H new ATOM 0 HG11 VAL A 79 -0.793 -1.739 -6.377 1.00 1.51 H new ATOM 0 HG12 VAL A 79 -1.493 -1.414 -7.981 1.00 1.51 H new ATOM 0 HG13 VAL A 79 -1.554 -3.057 -7.299 1.00 1.51 H new ATOM 0 HG21 VAL A 79 1.316 -3.008 -6.169 1.00 31.44 H new ATOM 0 HG22 VAL A 79 0.643 -4.378 -7.085 1.00 31.44 H new ATOM 0 HG23 VAL A 79 2.153 -3.604 -7.622 1.00 31.44 H new ATOM 1207 N MET A 80 -1.808 -4.441 -9.344 1.00 21.24 N ATOM 1208 CA MET A 80 -2.551 -5.692 -9.243 1.00 53.22 C ATOM 1209 C MET A 80 -2.074 -6.694 -10.290 1.00 0.52 C ATOM 1210 O MET A 80 -1.845 -7.863 -9.984 1.00 33.34 O ATOM 1211 CB MET A 80 -4.050 -5.434 -9.413 1.00 22.22 C ATOM 1212 CG MET A 80 -4.873 -6.705 -9.548 1.00 13.34 C ATOM 1213 SD MET A 80 -6.609 -6.455 -9.127 1.00 61.32 S ATOM 1214 CE MET A 80 -6.911 -4.855 -9.872 1.00 40.31 C ATOM 0 H MET A 80 -2.392 -3.609 -9.433 1.00 21.24 H new ATOM 0 HA MET A 80 -2.371 -6.114 -8.254 1.00 53.22 H new ATOM 0 HB2 MET A 80 -4.412 -4.866 -8.556 1.00 22.22 H new ATOM 0 HB3 MET A 80 -4.206 -4.814 -10.296 1.00 22.22 H new ATOM 0 HG2 MET A 80 -4.801 -7.073 -10.571 1.00 13.34 H new ATOM 0 HG3 MET A 80 -4.453 -7.476 -8.901 1.00 13.34 H new ATOM 0 HE1 MET A 80 -7.970 -4.760 -10.114 1.00 40.31 H new ATOM 0 HE2 MET A 80 -6.626 -4.069 -9.173 1.00 40.31 H new ATOM 0 HE3 MET A 80 -6.321 -4.761 -10.784 1.00 40.31 H new ATOM 1224 N MET A 81 -1.926 -6.227 -11.525 1.00 52.43 N ATOM 1225 CA MET A 81 -1.475 -7.083 -12.616 1.00 52.44 C ATOM 1226 C MET A 81 -0.026 -7.510 -12.409 1.00 4.32 C ATOM 1227 O MET A 81 0.329 -8.666 -12.636 1.00 41.12 O ATOM 1228 CB MET A 81 -1.618 -6.356 -13.955 1.00 73.43 C ATOM 1229 CG MET A 81 -2.019 -7.270 -15.102 1.00 41.14 C ATOM 1230 SD MET A 81 -3.706 -7.886 -14.943 1.00 50.21 S ATOM 1231 CE MET A 81 -4.634 -6.357 -15.032 1.00 15.31 C ATOM 0 H MET A 81 -2.112 -5.261 -11.795 1.00 52.43 H new ATOM 0 HA MET A 81 -2.100 -7.976 -12.626 1.00 52.44 H new ATOM 0 HB2 MET A 81 -2.362 -5.566 -13.853 1.00 73.43 H new ATOM 0 HB3 MET A 81 -0.672 -5.873 -14.200 1.00 73.43 H new ATOM 0 HG2 MET A 81 -1.921 -6.729 -16.043 1.00 41.14 H new ATOM 0 HG3 MET A 81 -1.331 -8.114 -15.146 1.00 41.14 H new ATOM 0 HE1 MET A 81 -5.496 -6.492 -15.686 1.00 15.31 H new ATOM 0 HE2 MET A 81 -4.975 -6.080 -14.035 1.00 15.31 H new ATOM 0 HE3 MET A 81 -3.997 -5.567 -15.430 1.00 15.31 H new ATOM 1241 N ALA A 82 0.808 -6.569 -11.976 1.00 34.10 N ATOM 1242 CA ALA A 82 2.218 -6.849 -11.736 1.00 72.14 C ATOM 1243 C ALA A 82 2.389 -8.004 -10.755 1.00 43.31 C ATOM 1244 O ALA A 82 3.417 -8.681 -10.753 1.00 22.22 O ATOM 1245 CB ALA A 82 2.922 -5.604 -11.218 1.00 65.20 C ATOM 0 H ALA A 82 0.531 -5.606 -11.784 1.00 34.10 H new ATOM 0 HA ALA A 82 2.672 -7.142 -12.683 1.00 72.14 H new ATOM 0 HB1 ALA A 82 3.974 -5.827 -11.043 1.00 65.20 H new ATOM 0 HB2 ALA A 82 2.838 -4.805 -11.955 1.00 65.20 H new ATOM 0 HB3 ALA A 82 2.458 -5.286 -10.284 1.00 65.20 H new ATOM 1251 N ARG A 83 1.377 -8.222 -9.922 1.00 53.34 N ATOM 1252 CA ARG A 83 1.417 -9.293 -8.935 1.00 31.42 C ATOM 1253 C ARG A 83 1.499 -10.657 -9.615 1.00 53.20 C ATOM 1254 O ARG A 83 1.983 -11.626 -9.029 1.00 51.11 O ATOM 1255 CB ARG A 83 0.181 -9.234 -8.035 1.00 51.53 C ATOM 1256 CG ARG A 83 0.351 -9.970 -6.716 1.00 42.45 C ATOM 1257 CD ARG A 83 -0.687 -9.531 -5.695 1.00 43.44 C ATOM 1258 NE ARG A 83 -0.857 -10.515 -4.630 1.00 4.32 N ATOM 1259 CZ ARG A 83 -1.931 -10.577 -3.852 1.00 13.05 C ATOM 1260 NH1 ARG A 83 -2.926 -9.717 -4.020 1.00 13.05 N ATOM 1261 NH2 ARG A 83 -2.012 -11.501 -2.903 1.00 74.41 N ATOM 0 H ARG A 83 0.519 -7.671 -9.911 1.00 53.34 H new ATOM 0 HA ARG A 83 2.309 -9.156 -8.324 1.00 31.42 H new ATOM 0 HB2 ARG A 83 -0.059 -8.191 -7.831 1.00 51.53 H new ATOM 0 HB3 ARG A 83 -0.668 -9.658 -8.571 1.00 51.53 H new ATOM 0 HG2 ARG A 83 0.266 -11.044 -6.884 1.00 42.45 H new ATOM 0 HG3 ARG A 83 1.351 -9.787 -6.322 1.00 42.45 H new ATOM 0 HD2 ARG A 83 -0.388 -8.576 -5.262 1.00 43.44 H new ATOM 0 HD3 ARG A 83 -1.642 -9.370 -6.195 1.00 43.44 H new ATOM 0 HE ARG A 83 -0.110 -11.192 -4.475 1.00 4.32 H new ATOM 0 HH11 ARG A 83 -2.868 -9.005 -4.748 1.00 13.05 H new ATOM 0 HH12 ARG A 83 -3.750 -9.767 -3.421 1.00 13.05 H new ATOM 0 HH21 ARG A 83 -1.249 -12.164 -2.771 1.00 74.41 H new ATOM 0 HH22 ARG A 83 -2.838 -11.548 -2.306 1.00 74.41 H new ATOM 1275 N CYS A 84 1.022 -10.724 -10.853 1.00 50.20 N ATOM 1276 CA CYS A 84 1.040 -11.969 -11.613 1.00 11.21 C ATOM 1277 C CYS A 84 2.466 -12.350 -11.998 1.00 34.31 C ATOM 1278 O CYS A 84 2.741 -13.501 -12.336 1.00 73.13 O ATOM 1279 CB CYS A 84 0.178 -11.836 -12.869 1.00 34.40 C ATOM 1280 SG CYS A 84 -0.057 -13.386 -13.770 1.00 60.22 S ATOM 0 H CYS A 84 0.618 -9.931 -11.352 1.00 50.20 H new ATOM 0 HA CYS A 84 0.630 -12.758 -10.982 1.00 11.21 H new ATOM 0 HB2 CYS A 84 -0.798 -11.441 -12.587 1.00 34.40 H new ATOM 0 HB3 CYS A 84 0.637 -11.106 -13.536 1.00 34.40 H new ATOM 0 HG CYS A 84 0.982 -14.148 -13.600 1.00 60.22 H new ATOM 1286 N MET A 85 3.368 -11.376 -11.945 1.00 70.03 N ATOM 1287 CA MET A 85 4.766 -11.610 -12.289 1.00 73.21 C ATOM 1288 C MET A 85 5.478 -12.375 -11.178 1.00 70.33 C ATOM 1289 O MET A 85 6.526 -12.982 -11.401 1.00 42.51 O ATOM 1290 CB MET A 85 5.479 -10.282 -12.548 1.00 11.33 C ATOM 1291 CG MET A 85 5.015 -9.579 -13.813 1.00 53.11 C ATOM 1292 SD MET A 85 5.627 -10.371 -15.312 1.00 64.33 S ATOM 1293 CE MET A 85 5.341 -9.079 -16.519 1.00 61.33 C ATOM 0 H MET A 85 3.156 -10.418 -11.667 1.00 70.03 H new ATOM 0 HA MET A 85 4.795 -12.212 -13.197 1.00 73.21 H new ATOM 0 HB2 MET A 85 5.320 -9.621 -11.696 1.00 11.33 H new ATOM 0 HB3 MET A 85 6.552 -10.462 -12.615 1.00 11.33 H new ATOM 0 HG2 MET A 85 3.925 -9.561 -13.835 1.00 53.11 H new ATOM 0 HG3 MET A 85 5.350 -8.542 -13.792 1.00 53.11 H new ATOM 0 HE1 MET A 85 5.670 -9.419 -17.501 1.00 61.33 H new ATOM 0 HE2 MET A 85 4.277 -8.843 -16.554 1.00 61.33 H new ATOM 0 HE3 MET A 85 5.901 -8.188 -16.237 1.00 61.33 H new ATOM 1303 N LYS A 86 4.903 -12.343 -9.981 1.00 32.01 N ATOM 1304 CA LYS A 86 5.481 -13.034 -8.835 1.00 5.03 C ATOM 1305 C LYS A 86 5.303 -14.543 -8.963 1.00 23.54 C ATOM 1306 O LYS A 86 5.839 -15.311 -8.163 1.00 61.21 O ATOM 1307 CB LYS A 86 4.836 -12.542 -7.537 1.00 42.33 C ATOM 1308 CG LYS A 86 5.752 -12.634 -6.329 1.00 44.54 C ATOM 1309 CD LYS A 86 6.661 -11.420 -6.225 1.00 12.01 C ATOM 1310 CE LYS A 86 8.071 -11.813 -5.811 1.00 72.15 C ATOM 1311 NZ LYS A 86 8.079 -12.599 -4.546 1.00 41.44 N ATOM 0 H LYS A 86 4.036 -11.845 -9.779 1.00 32.01 H new ATOM 0 HA LYS A 86 6.548 -12.812 -8.810 1.00 5.03 H new ATOM 0 HB2 LYS A 86 4.523 -11.506 -7.667 1.00 42.33 H new ATOM 0 HB3 LYS A 86 3.936 -13.125 -7.345 1.00 42.33 H new ATOM 0 HG2 LYS A 86 5.153 -12.720 -5.423 1.00 44.54 H new ATOM 0 HG3 LYS A 86 6.357 -13.538 -6.398 1.00 44.54 H new ATOM 0 HD2 LYS A 86 6.693 -10.905 -7.185 1.00 12.01 H new ATOM 0 HD3 LYS A 86 6.250 -10.718 -5.500 1.00 12.01 H new ATOM 0 HE2 LYS A 86 8.533 -12.399 -6.606 1.00 72.15 H new ATOM 0 HE3 LYS A 86 8.676 -10.915 -5.684 1.00 72.15 H new ATOM 0 HZ1 LYS A 86 9.051 -12.659 -4.181 1.00 41.44 H new ATOM 0 HZ2 LYS A 86 7.473 -12.131 -3.842 1.00 41.44 H new ATOM 0 HZ3 LYS A 86 7.719 -13.557 -4.730 1.00 41.44 H new ATOM 1325 N ASP A 87 4.549 -14.962 -9.973 1.00 1.01 N ATOM 1326 CA ASP A 87 4.303 -16.380 -10.207 1.00 33.21 C ATOM 1327 C ASP A 87 5.550 -17.065 -10.757 1.00 0.12 C ATOM 1328 O ASP A 87 5.782 -17.077 -11.966 1.00 12.41 O ATOM 1329 CB ASP A 87 3.135 -16.563 -11.178 1.00 22.42 C ATOM 1330 CG ASP A 87 2.668 -18.004 -11.257 1.00 4.34 C ATOM 1331 OD1 ASP A 87 2.199 -18.533 -10.227 1.00 52.22 O ATOM 1332 OD2 ASP A 87 2.772 -18.602 -12.348 1.00 13.51 O ATOM 0 H ASP A 87 4.097 -14.340 -10.643 1.00 1.01 H new ATOM 0 HA ASP A 87 4.048 -16.842 -9.253 1.00 33.21 H new ATOM 0 HB2 ASP A 87 2.304 -15.931 -10.865 1.00 22.42 H new ATOM 0 HB3 ASP A 87 3.435 -16.226 -12.170 1.00 22.42 H new ATOM 1337 N ASP A 88 6.350 -17.633 -9.861 1.00 61.14 N ATOM 1338 CA ASP A 88 7.574 -18.320 -10.257 1.00 2.03 C ATOM 1339 C ASP A 88 8.539 -17.359 -10.943 1.00 44.52 C ATOM 1340 O ASP A 88 9.072 -17.656 -12.012 1.00 63.21 O ATOM 1341 CB ASP A 88 7.250 -19.489 -11.188 1.00 44.03 C ATOM 1342 CG ASP A 88 6.234 -20.441 -10.590 1.00 75.23 C ATOM 1343 OD1 ASP A 88 6.619 -21.254 -9.724 1.00 0.14 O ATOM 1344 OD2 ASP A 88 5.052 -20.373 -10.988 1.00 60.33 O ATOM 0 H ASP A 88 6.173 -17.631 -8.856 1.00 61.14 H new ATOM 0 HA ASP A 88 8.053 -18.705 -9.357 1.00 2.03 H new ATOM 0 HB2 ASP A 88 6.869 -19.102 -12.133 1.00 44.03 H new ATOM 0 HB3 ASP A 88 8.166 -20.035 -11.413 1.00 44.03 H new ATOM 1349 N SER A 89 8.759 -16.204 -10.322 1.00 74.00 N ATOM 1350 CA SER A 89 9.656 -15.196 -10.876 1.00 33.54 C ATOM 1351 C SER A 89 11.097 -15.458 -10.448 1.00 15.05 C ATOM 1352 O SER A 89 11.911 -15.852 -11.281 1.00 2.14 O ATOM 1353 CB SER A 89 9.225 -13.798 -10.428 1.00 75.44 C ATOM 1354 OG SER A 89 10.328 -13.058 -9.936 1.00 14.24 O ATOM 0 H SER A 89 8.328 -15.943 -9.435 1.00 74.00 H new ATOM 0 HA SER A 89 9.602 -15.254 -11.963 1.00 33.54 H new ATOM 0 HB2 SER A 89 8.772 -13.268 -11.266 1.00 75.44 H new ATOM 0 HB3 SER A 89 8.463 -13.880 -9.653 1.00 75.44 H new ATOM 0 HG SER A 89 10.027 -12.168 -9.658 1.00 14.24 H new TER 1360 SER A 89 HETATM 1361 CA CA A 90 -7.682 1.399 -3.005 1.00 65.44 CA