USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 608 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 12 THR OG1 : rot 180:sc= -0.779 USER MOD Set 1.2: A 52 LYS NZ :NH3+ -171:sc= -0.0152 (180deg=-0.0896) USER MOD Set 2.1: A 14 SER OG : rot -103:sc= 0.595 USER MOD Set 2.2: A 25 LYS NZ :NH3+ -162:sc= 0.233 (180deg=-0.0811) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -175:sc= 0 (180deg=-0.0214) USER MOD Single : A 3 LYS NZ :NH3+ -166:sc= -0.301 (180deg=-0.875) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN :FLIP amide:sc= -4.58! C(o=-5.7!,f=-4.6!) USER MOD Single : A 21 MET CE :methyl -172:sc= 0 (180deg=-0.0973) USER MOD Single : A 23 LYS NZ :NH3+ -126:sc= -0.161 (180deg=-0.806) USER MOD Single : A 28 ASN : amide:sc= 0.504 K(o=0.5,f=0) USER MOD Single : A 30 HIS : no HD1:sc= -3.09! C(o=-3.1!,f=-3.6!) USER MOD Single : A 34 CYS SG : rot -22:sc= -3.05! USER MOD Single : A 35 HIS : no HD1:sc= -6.39! C(o=-6.4!,f=-18!) USER MOD Single : A 37 SER OG : rot 140:sc= -0.586 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl 154:sc= -0.626 (180deg=-2.28!) USER MOD Single : A 43 ASN : amide:sc= -0.556 K(o=-0.56,f=-3.4!) USER MOD Single : A 54 ASN : amide:sc= -0.178 X(o=-0.18,f=-0.62) USER MOD Single : A 58 SER OG : rot 43:sc= -0.464 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 53:sc= -1.72! USER MOD Single : A 71 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0301) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.489 -1.630 24.926 1.00 0.00 N ATOM 2 CA MET A 1 -4.049 -0.510 25.718 1.00 0.00 C ATOM 3 C MET A 1 -2.959 0.507 26.027 1.00 0.00 C ATOM 4 O MET A 1 -3.151 1.695 25.866 1.00 0.00 O ATOM 5 CB MET A 1 -4.612 -1.039 27.048 1.00 0.00 C ATOM 6 CG MET A 1 -5.880 -0.261 27.403 1.00 0.00 C ATOM 7 SD MET A 1 -5.702 1.506 27.757 1.00 0.00 S ATOM 8 CE MET A 1 -7.438 1.833 28.148 1.00 0.00 C ATOM 0 H1 MET A 1 -4.255 -2.276 24.648 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.026 -1.255 24.074 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.792 -2.147 25.500 1.00 0.00 H new ATOM 0 HA MET A 1 -4.842 -0.039 25.137 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.835 -2.103 26.965 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.871 -0.930 27.839 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.584 -0.370 26.578 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.333 -0.735 28.274 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.562 2.886 28.401 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.057 1.592 27.284 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.742 1.218 28.995 1.00 0.00 H new ATOM 17 N ALA A 2 -1.830 0.022 26.468 1.00 0.00 N ATOM 18 CA ALA A 2 -0.718 0.948 26.790 1.00 0.00 C ATOM 19 C ALA A 2 0.570 0.179 27.049 1.00 0.00 C ATOM 20 O ALA A 2 0.920 -0.089 28.182 1.00 0.00 O ATOM 21 CB ALA A 2 -1.093 1.727 28.060 1.00 0.00 C ATOM 0 H ALA A 2 -1.634 -0.968 26.617 1.00 0.00 H new ATOM 0 HA ALA A 2 -0.558 1.621 25.948 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -0.288 2.415 28.316 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -2.010 2.290 27.884 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -1.248 1.029 28.883 1.00 0.00 H new ATOM 27 N LYS A 3 1.255 -0.163 25.993 1.00 0.00 N ATOM 28 CA LYS A 3 2.521 -0.915 26.157 1.00 0.00 C ATOM 29 C LYS A 3 3.325 -0.910 24.860 1.00 0.00 C ATOM 30 O LYS A 3 3.108 -1.732 23.993 1.00 0.00 O ATOM 31 CB LYS A 3 2.178 -2.370 26.520 1.00 0.00 C ATOM 32 CG LYS A 3 3.473 -3.137 26.799 1.00 0.00 C ATOM 33 CD LYS A 3 3.132 -4.508 27.389 1.00 0.00 C ATOM 34 CE LYS A 3 4.430 -5.245 27.723 1.00 0.00 C ATOM 35 NZ LYS A 3 5.501 -4.884 26.752 1.00 0.00 N ATOM 0 H LYS A 3 0.991 0.046 25.030 1.00 0.00 H new ATOM 0 HA LYS A 3 3.116 -0.445 26.940 1.00 0.00 H new ATOM 0 HB2 LYS A 3 1.530 -2.396 27.396 1.00 0.00 H new ATOM 0 HB3 LYS A 3 1.630 -2.842 25.704 1.00 0.00 H new ATOM 0 HG2 LYS A 3 4.044 -3.256 25.878 1.00 0.00 H new ATOM 0 HG3 LYS A 3 4.100 -2.576 27.492 1.00 0.00 H new ATOM 0 HD2 LYS A 3 2.524 -4.391 28.286 1.00 0.00 H new ATOM 0 HD3 LYS A 3 2.543 -5.087 26.678 1.00 0.00 H new ATOM 0 HE2 LYS A 3 4.748 -4.993 28.735 1.00 0.00 H new ATOM 0 HE3 LYS A 3 4.260 -6.321 27.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 6.290 -5.556 26.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 5.120 -4.922 25.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 5.841 -3.922 26.952 1.00 0.00 H new ATOM 49 N LYS A 4 4.238 0.019 24.749 1.00 0.00 N ATOM 50 CA LYS A 4 5.059 0.084 23.514 1.00 0.00 C ATOM 51 C LYS A 4 6.457 0.614 23.814 1.00 0.00 C ATOM 52 O LYS A 4 7.048 0.277 24.820 1.00 0.00 O ATOM 53 CB LYS A 4 4.363 1.033 22.516 1.00 0.00 C ATOM 54 CG LYS A 4 4.694 0.601 21.079 1.00 0.00 C ATOM 55 CD LYS A 4 3.577 1.069 20.143 1.00 0.00 C ATOM 56 CE LYS A 4 3.936 0.685 18.704 1.00 0.00 C ATOM 57 NZ LYS A 4 2.735 0.174 17.986 1.00 0.00 N ATOM 0 H LYS A 4 4.446 0.726 25.454 1.00 0.00 H new ATOM 0 HA LYS A 4 5.154 -0.919 23.097 1.00 0.00 H new ATOM 0 HB2 LYS A 4 3.284 1.015 22.673 1.00 0.00 H new ATOM 0 HB3 LYS A 4 4.692 2.059 22.683 1.00 0.00 H new ATOM 0 HG2 LYS A 4 5.648 1.028 20.769 1.00 0.00 H new ATOM 0 HG3 LYS A 4 4.798 -0.483 21.027 1.00 0.00 H new ATOM 0 HD2 LYS A 4 2.630 0.611 20.429 1.00 0.00 H new ATOM 0 HD3 LYS A 4 3.447 2.148 20.223 1.00 0.00 H new ATOM 0 HE2 LYS A 4 4.339 1.551 18.180 1.00 0.00 H new ATOM 0 HE3 LYS A 4 4.716 -0.076 18.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 2.995 -0.082 17.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 2.367 -0.665 18.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 2.002 0.912 17.966 1.00 0.00 H new ATOM 71 N ASP A 5 6.961 1.434 22.933 1.00 0.00 N ATOM 72 CA ASP A 5 8.321 1.995 23.149 1.00 0.00 C ATOM 73 C ASP A 5 8.473 2.546 24.553 1.00 0.00 C ATOM 74 O ASP A 5 9.565 2.854 24.991 1.00 0.00 O ATOM 75 CB ASP A 5 8.545 3.133 22.139 1.00 0.00 C ATOM 76 CG ASP A 5 9.918 3.763 22.384 1.00 0.00 C ATOM 77 OD1 ASP A 5 9.922 4.866 22.905 1.00 0.00 O ATOM 78 OD2 ASP A 5 10.885 3.105 22.036 1.00 0.00 O ATOM 0 H ASP A 5 6.492 1.737 22.079 1.00 0.00 H new ATOM 0 HA ASP A 5 9.054 1.199 23.013 1.00 0.00 H new ATOM 0 HB2 ASP A 5 8.485 2.748 21.121 1.00 0.00 H new ATOM 0 HB3 ASP A 5 7.763 3.885 22.242 1.00 0.00 H new ATOM 83 N VAL A 6 7.381 2.645 25.232 1.00 0.00 N ATOM 84 CA VAL A 6 7.419 3.176 26.621 1.00 0.00 C ATOM 85 C VAL A 6 6.033 3.118 27.256 1.00 0.00 C ATOM 86 O VAL A 6 5.076 2.735 26.611 1.00 0.00 O ATOM 87 CB VAL A 6 7.893 4.651 26.575 1.00 0.00 C ATOM 88 CG1 VAL A 6 6.678 5.587 26.494 1.00 0.00 C ATOM 89 CG2 VAL A 6 8.682 4.962 27.848 1.00 0.00 C ATOM 0 H VAL A 6 6.456 2.382 24.891 1.00 0.00 H new ATOM 0 HA VAL A 6 8.102 2.570 27.216 1.00 0.00 H new ATOM 0 HB VAL A 6 8.523 4.802 25.698 1.00 0.00 H new ATOM 0 HG11 VAL A 6 7.018 6.622 26.462 1.00 0.00 H new ATOM 0 HG12 VAL A 6 6.107 5.364 25.593 1.00 0.00 H new ATOM 0 HG13 VAL A 6 6.046 5.439 27.370 1.00 0.00 H new ATOM 0 HG21 VAL A 6 9.019 5.998 27.823 1.00 0.00 H new ATOM 0 HG22 VAL A 6 8.044 4.809 28.718 1.00 0.00 H new ATOM 0 HG23 VAL A 6 9.546 4.301 27.911 1.00 0.00 H new ATOM 99 N ILE A 7 5.954 3.502 28.516 1.00 0.00 N ATOM 100 CA ILE A 7 4.640 3.480 29.217 1.00 0.00 C ATOM 101 C ILE A 7 4.235 4.889 29.620 1.00 0.00 C ATOM 102 O ILE A 7 4.835 5.482 30.494 1.00 0.00 O ATOM 103 CB ILE A 7 4.778 2.624 30.475 1.00 0.00 C ATOM 104 CG1 ILE A 7 4.653 1.154 30.109 1.00 0.00 C ATOM 105 CG2 ILE A 7 3.638 2.986 31.444 1.00 0.00 C ATOM 106 CD1 ILE A 7 5.821 0.764 29.202 1.00 0.00 C ATOM 0 H ILE A 7 6.742 3.826 29.077 1.00 0.00 H new ATOM 0 HA ILE A 7 3.880 3.070 28.552 1.00 0.00 H new ATOM 0 HB ILE A 7 5.748 2.806 30.937 1.00 0.00 H new ATOM 0 HG12 ILE A 7 4.655 0.541 31.010 1.00 0.00 H new ATOM 0 HG13 ILE A 7 3.706 0.972 29.602 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.723 2.382 32.348 1.00 0.00 H new ATOM 0 HG22 ILE A 7 3.704 4.042 31.705 1.00 0.00 H new ATOM 0 HG23 ILE A 7 2.678 2.790 30.966 1.00 0.00 H new ATOM 0 HD11 ILE A 7 5.738 -0.290 28.935 1.00 0.00 H new ATOM 0 HD12 ILE A 7 5.797 1.371 28.297 1.00 0.00 H new ATOM 0 HD13 ILE A 7 6.761 0.933 29.727 1.00 0.00 H new ATOM 118 N GLU A 8 3.225 5.400 28.970 1.00 0.00 N ATOM 119 CA GLU A 8 2.757 6.771 29.293 1.00 0.00 C ATOM 120 C GLU A 8 1.522 6.733 30.183 1.00 0.00 C ATOM 121 O GLU A 8 0.547 6.076 29.869 1.00 0.00 O ATOM 122 CB GLU A 8 2.391 7.472 27.976 1.00 0.00 C ATOM 123 CG GLU A 8 3.407 7.077 26.900 1.00 0.00 C ATOM 124 CD GLU A 8 3.018 7.725 25.570 1.00 0.00 C ATOM 125 OE1 GLU A 8 3.874 7.728 24.699 1.00 0.00 O ATOM 126 OE2 GLU A 8 1.889 8.180 25.498 1.00 0.00 O ATOM 0 H GLU A 8 2.707 4.925 28.231 1.00 0.00 H new ATOM 0 HA GLU A 8 3.549 7.302 29.822 1.00 0.00 H new ATOM 0 HB2 GLU A 8 1.385 7.189 27.666 1.00 0.00 H new ATOM 0 HB3 GLU A 8 2.389 8.553 28.113 1.00 0.00 H new ATOM 0 HG2 GLU A 8 4.407 7.396 27.194 1.00 0.00 H new ATOM 0 HG3 GLU A 8 3.437 5.993 26.794 1.00 0.00 H new ATOM 133 N LEU A 9 1.586 7.435 31.284 1.00 0.00 N ATOM 134 CA LEU A 9 0.425 7.453 32.210 1.00 0.00 C ATOM 135 C LEU A 9 0.275 8.826 32.858 1.00 0.00 C ATOM 136 O LEU A 9 1.205 9.603 32.893 1.00 0.00 O ATOM 137 CB LEU A 9 0.662 6.404 33.307 1.00 0.00 C ATOM 138 CG LEU A 9 0.375 5.012 32.736 1.00 0.00 C ATOM 139 CD1 LEU A 9 0.657 3.958 33.809 1.00 0.00 C ATOM 140 CD2 LEU A 9 -1.096 4.929 32.323 1.00 0.00 C ATOM 0 H LEU A 9 2.388 7.992 31.577 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.484 7.231 31.651 1.00 0.00 H new ATOM 0 HB2 LEU A 9 1.690 6.459 33.665 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.015 6.601 34.162 1.00 0.00 H new ATOM 0 HG LEU A 9 1.011 4.833 31.869 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.454 2.966 33.406 1.00 0.00 H new ATOM 0 HD12 LEU A 9 1.702 4.019 34.113 1.00 0.00 H new ATOM 0 HD13 LEU A 9 0.016 4.137 34.672 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.304 3.940 31.916 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -1.729 5.104 33.193 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -1.304 5.684 31.565 1.00 0.00 H new ATOM 152 N GLU A 10 -0.897 9.098 33.363 1.00 0.00 N ATOM 153 CA GLU A 10 -1.127 10.414 34.012 1.00 0.00 C ATOM 154 C GLU A 10 -0.753 10.364 35.485 1.00 0.00 C ATOM 155 O GLU A 10 -0.965 9.367 36.141 1.00 0.00 O ATOM 156 CB GLU A 10 -2.618 10.750 33.897 1.00 0.00 C ATOM 157 CG GLU A 10 -3.011 10.798 32.421 1.00 0.00 C ATOM 158 CD GLU A 10 -4.499 11.131 32.308 1.00 0.00 C ATOM 159 OE1 GLU A 10 -4.780 12.162 31.720 1.00 0.00 O ATOM 160 OE2 GLU A 10 -5.271 10.334 32.817 1.00 0.00 O ATOM 0 H GLU A 10 -1.699 8.468 33.353 1.00 0.00 H new ATOM 0 HA GLU A 10 -0.511 11.167 33.520 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.213 10.001 34.420 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -2.824 11.709 34.372 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -2.417 11.548 31.898 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.803 9.839 31.946 1.00 0.00 H new ATOM 167 N GLY A 11 -0.206 11.445 35.988 1.00 0.00 N ATOM 168 CA GLY A 11 0.181 11.459 37.422 1.00 0.00 C ATOM 169 C GLY A 11 0.083 12.874 37.968 1.00 0.00 C ATOM 170 O GLY A 11 -0.071 13.815 37.213 1.00 0.00 O ATOM 0 H GLY A 11 -0.015 12.304 35.471 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -0.470 10.794 37.990 1.00 0.00 H new ATOM 0 HA3 GLY A 11 1.198 11.085 37.537 1.00 0.00 H new ATOM 174 N THR A 12 0.174 13.001 39.273 1.00 0.00 N ATOM 175 CA THR A 12 0.088 14.353 39.888 1.00 0.00 C ATOM 176 C THR A 12 1.311 14.640 40.734 1.00 0.00 C ATOM 177 O THR A 12 1.694 13.844 41.566 1.00 0.00 O ATOM 178 CB THR A 12 -1.155 14.399 40.783 1.00 0.00 C ATOM 179 OG1 THR A 12 -2.251 14.239 39.907 1.00 0.00 O ATOM 180 CG2 THR A 12 -1.343 15.798 41.387 1.00 0.00 C ATOM 0 H THR A 12 0.303 12.230 39.928 1.00 0.00 H new ATOM 0 HA THR A 12 0.029 15.101 39.097 1.00 0.00 H new ATOM 0 HB THR A 12 -1.070 13.652 41.572 1.00 0.00 H new ATOM 0 HG1 THR A 12 -3.086 14.258 40.420 1.00 0.00 H new ATOM 0 HG21 THR A 12 -2.232 15.805 42.018 1.00 0.00 H new ATOM 0 HG22 THR A 12 -0.470 16.056 41.986 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.461 16.527 40.586 1.00 0.00 H new ATOM 188 N VAL A 13 1.908 15.781 40.511 1.00 0.00 N ATOM 189 CA VAL A 13 3.117 16.123 41.309 1.00 0.00 C ATOM 190 C VAL A 13 2.754 16.352 42.760 1.00 0.00 C ATOM 191 O VAL A 13 1.811 17.061 43.062 1.00 0.00 O ATOM 192 CB VAL A 13 3.752 17.400 40.746 1.00 0.00 C ATOM 193 CG1 VAL A 13 5.191 17.492 41.242 1.00 0.00 C ATOM 194 CG2 VAL A 13 3.761 17.336 39.224 1.00 0.00 C ATOM 0 H VAL A 13 1.617 16.477 39.825 1.00 0.00 H new ATOM 0 HA VAL A 13 3.820 15.292 41.248 1.00 0.00 H new ATOM 0 HB VAL A 13 3.181 18.269 41.073 1.00 0.00 H new ATOM 0 HG11 VAL A 13 5.654 18.397 40.848 1.00 0.00 H new ATOM 0 HG12 VAL A 13 5.199 17.525 42.331 1.00 0.00 H new ATOM 0 HG13 VAL A 13 5.750 16.620 40.901 1.00 0.00 H new ATOM 0 HG21 VAL A 13 4.212 18.244 38.824 1.00 0.00 H new ATOM 0 HG22 VAL A 13 4.339 16.470 38.900 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.738 17.248 38.857 1.00 0.00 H new ATOM 204 N SER A 14 3.525 15.749 43.637 1.00 0.00 N ATOM 205 CA SER A 14 3.256 15.906 45.089 1.00 0.00 C ATOM 206 C SER A 14 4.363 16.678 45.804 1.00 0.00 C ATOM 207 O SER A 14 4.115 17.306 46.814 1.00 0.00 O ATOM 208 CB SER A 14 3.164 14.502 45.706 1.00 0.00 C ATOM 209 OG SER A 14 3.276 14.729 47.103 1.00 0.00 O ATOM 0 H SER A 14 4.324 15.159 43.403 1.00 0.00 H new ATOM 0 HA SER A 14 2.330 16.469 45.207 1.00 0.00 H new ATOM 0 HB2 SER A 14 2.220 14.018 45.455 1.00 0.00 H new ATOM 0 HB3 SER A 14 3.961 13.854 45.342 1.00 0.00 H new ATOM 0 HG SER A 14 4.179 14.492 47.402 1.00 0.00 H new ATOM 215 N GLU A 15 5.566 16.628 45.285 1.00 0.00 N ATOM 216 CA GLU A 15 6.659 17.374 45.972 1.00 0.00 C ATOM 217 C GLU A 15 7.769 17.787 45.010 1.00 0.00 C ATOM 218 O GLU A 15 7.933 17.209 43.954 1.00 0.00 O ATOM 219 CB GLU A 15 7.257 16.458 47.051 1.00 0.00 C ATOM 220 CG GLU A 15 7.371 17.239 48.362 1.00 0.00 C ATOM 221 CD GLU A 15 8.294 18.442 48.155 1.00 0.00 C ATOM 222 OE1 GLU A 15 9.491 18.221 48.211 1.00 0.00 O ATOM 223 OE2 GLU A 15 7.747 19.514 47.953 1.00 0.00 O ATOM 0 H GLU A 15 5.831 16.119 44.442 1.00 0.00 H new ATOM 0 HA GLU A 15 6.237 18.283 46.400 1.00 0.00 H new ATOM 0 HB2 GLU A 15 6.627 15.579 47.190 1.00 0.00 H new ATOM 0 HB3 GLU A 15 8.238 16.101 46.739 1.00 0.00 H new ATOM 0 HG2 GLU A 15 6.386 17.574 48.686 1.00 0.00 H new ATOM 0 HG3 GLU A 15 7.764 16.596 49.149 1.00 0.00 H new ATOM 230 N ALA A 16 8.514 18.793 45.409 1.00 0.00 N ATOM 231 CA ALA A 16 9.625 19.279 44.554 1.00 0.00 C ATOM 232 C ALA A 16 10.953 18.712 45.030 1.00 0.00 C ATOM 233 O ALA A 16 11.412 19.028 46.112 1.00 0.00 O ATOM 234 CB ALA A 16 9.678 20.814 44.651 1.00 0.00 C ATOM 0 H ALA A 16 8.394 19.292 46.290 1.00 0.00 H new ATOM 0 HA ALA A 16 9.453 18.959 43.526 1.00 0.00 H new ATOM 0 HB1 ALA A 16 10.490 21.190 44.028 1.00 0.00 H new ATOM 0 HB2 ALA A 16 8.732 21.233 44.307 1.00 0.00 H new ATOM 0 HB3 ALA A 16 9.849 21.107 45.687 1.00 0.00 H new ATOM 240 N LEU A 17 11.551 17.883 44.206 1.00 0.00 N ATOM 241 CA LEU A 17 12.856 17.276 44.587 1.00 0.00 C ATOM 242 C LEU A 17 14.019 17.940 43.822 1.00 0.00 C ATOM 243 O LEU A 17 13.861 18.359 42.696 1.00 0.00 O ATOM 244 CB LEU A 17 12.811 15.790 44.205 1.00 0.00 C ATOM 245 CG LEU A 17 11.621 15.129 44.899 1.00 0.00 C ATOM 246 CD1 LEU A 17 11.509 13.681 44.421 1.00 0.00 C ATOM 247 CD2 LEU A 17 11.846 15.146 46.408 1.00 0.00 C ATOM 0 H LEU A 17 11.191 17.605 43.293 1.00 0.00 H new ATOM 0 HA LEU A 17 13.018 17.415 45.656 1.00 0.00 H new ATOM 0 HB2 LEU A 17 12.722 15.683 43.124 1.00 0.00 H new ATOM 0 HB3 LEU A 17 13.738 15.298 44.499 1.00 0.00 H new ATOM 0 HG LEU A 17 10.705 15.669 44.660 1.00 0.00 H new ATOM 0 HD11 LEU A 17 10.662 13.201 44.911 1.00 0.00 H new ATOM 0 HD12 LEU A 17 11.361 13.665 43.341 1.00 0.00 H new ATOM 0 HD13 LEU A 17 12.424 13.144 44.670 1.00 0.00 H new ATOM 0 HD21 LEU A 17 10.999 14.675 46.907 1.00 0.00 H new ATOM 0 HD22 LEU A 17 12.758 14.598 46.646 1.00 0.00 H new ATOM 0 HD23 LEU A 17 11.942 16.177 46.750 1.00 0.00 H new ATOM 259 N PRO A 18 15.173 18.032 44.462 1.00 0.00 N ATOM 260 CA PRO A 18 16.345 18.640 43.832 1.00 0.00 C ATOM 261 C PRO A 18 16.819 17.825 42.633 1.00 0.00 C ATOM 262 O PRO A 18 16.357 16.726 42.402 1.00 0.00 O ATOM 263 CB PRO A 18 17.437 18.616 44.922 1.00 0.00 C ATOM 264 CG PRO A 18 16.862 17.821 46.134 1.00 0.00 C ATOM 265 CD PRO A 18 15.378 17.559 45.841 1.00 0.00 C ATOM 0 HA PRO A 18 16.119 19.642 43.468 1.00 0.00 H new ATOM 0 HB2 PRO A 18 18.344 18.143 44.547 1.00 0.00 H new ATOM 0 HB3 PRO A 18 17.706 19.630 45.219 1.00 0.00 H new ATOM 0 HG2 PRO A 18 17.399 16.882 46.268 1.00 0.00 H new ATOM 0 HG3 PRO A 18 16.978 18.389 47.057 1.00 0.00 H new ATOM 0 HD2 PRO A 18 15.138 16.500 45.935 1.00 0.00 H new ATOM 0 HD3 PRO A 18 14.737 18.094 46.541 1.00 0.00 H new ATOM 273 N ASN A 19 17.735 18.389 41.895 1.00 0.00 N ATOM 274 CA ASN A 19 18.275 17.685 40.700 1.00 0.00 C ATOM 275 C ASN A 19 17.289 17.697 39.528 1.00 0.00 C ATOM 276 O ASN A 19 17.289 16.799 38.711 1.00 0.00 O ATOM 277 CB ASN A 19 18.584 16.224 41.077 1.00 0.00 C ATOM 278 CG ASN A 19 18.900 16.135 42.573 1.00 0.00 C ATOM 279 OD1 ASN A 19 19.720 17.004 43.103 1.00 0.00 O flip ATOM 280 ND2 ASN A 19 18.404 15.273 43.272 1.00 0.00 N flip ATOM 0 H ASN A 19 18.134 19.311 42.070 1.00 0.00 H new ATOM 0 HA ASN A 19 19.177 18.209 40.384 1.00 0.00 H new ATOM 0 HB2 ASN A 19 17.732 15.588 40.837 1.00 0.00 H new ATOM 0 HB3 ASN A 19 19.429 15.858 40.494 1.00 0.00 H new ATOM 0 HD21 ASN A 19 17.763 14.592 42.864 1.00 0.00 H new ATOM 0 HD22 ASN A 19 18.628 15.231 44.266 1.00 0.00 H new ATOM 287 N ALA A 20 16.467 18.710 39.472 1.00 0.00 N ATOM 288 CA ALA A 20 15.479 18.795 38.357 1.00 0.00 C ATOM 289 C ALA A 20 14.543 17.582 38.314 1.00 0.00 C ATOM 290 O ALA A 20 14.523 16.840 37.349 1.00 0.00 O ATOM 291 CB ALA A 20 16.258 18.873 37.033 1.00 0.00 C ATOM 0 H ALA A 20 16.436 19.477 40.144 1.00 0.00 H new ATOM 0 HA ALA A 20 14.861 19.679 38.514 1.00 0.00 H new ATOM 0 HB1 ALA A 20 15.556 18.936 36.201 1.00 0.00 H new ATOM 0 HB2 ALA A 20 16.896 19.757 37.038 1.00 0.00 H new ATOM 0 HB3 ALA A 20 16.875 17.981 36.921 1.00 0.00 H new ATOM 297 N MET A 21 13.787 17.406 39.360 1.00 0.00 N ATOM 298 CA MET A 21 12.855 16.271 39.413 1.00 0.00 C ATOM 299 C MET A 21 11.864 16.493 40.530 1.00 0.00 C ATOM 300 O MET A 21 12.015 17.398 41.320 1.00 0.00 O ATOM 301 CB MET A 21 13.642 14.978 39.693 1.00 0.00 C ATOM 302 CG MET A 21 14.753 15.263 40.707 1.00 0.00 C ATOM 303 SD MET A 21 15.891 13.910 41.091 1.00 0.00 S ATOM 304 CE MET A 21 14.716 12.879 41.999 1.00 0.00 C ATOM 0 H MET A 21 13.782 18.010 40.182 1.00 0.00 H new ATOM 0 HA MET A 21 12.330 16.186 38.462 1.00 0.00 H new ATOM 0 HB2 MET A 21 12.973 14.209 40.078 1.00 0.00 H new ATOM 0 HB3 MET A 21 14.070 14.593 38.767 1.00 0.00 H new ATOM 0 HG2 MET A 21 15.340 16.103 40.337 1.00 0.00 H new ATOM 0 HG3 MET A 21 14.286 15.586 41.638 1.00 0.00 H new ATOM 0 HE1 MET A 21 15.244 12.043 42.457 1.00 0.00 H new ATOM 0 HE2 MET A 21 14.235 13.474 42.775 1.00 0.00 H new ATOM 0 HE3 MET A 21 13.960 12.498 41.312 1.00 0.00 H new ATOM 314 N PHE A 22 10.871 15.686 40.584 1.00 0.00 N ATOM 315 CA PHE A 22 9.880 15.862 41.655 1.00 0.00 C ATOM 316 C PHE A 22 9.149 14.570 41.965 1.00 0.00 C ATOM 317 O PHE A 22 9.198 13.618 41.211 1.00 0.00 O ATOM 318 CB PHE A 22 8.844 16.913 41.222 1.00 0.00 C ATOM 319 CG PHE A 22 9.066 17.352 39.771 1.00 0.00 C ATOM 320 CD1 PHE A 22 9.101 16.429 38.738 1.00 0.00 C ATOM 321 CD2 PHE A 22 9.132 18.700 39.464 1.00 0.00 C ATOM 322 CE1 PHE A 22 9.186 16.857 37.427 1.00 0.00 C ATOM 323 CE2 PHE A 22 9.218 19.118 38.158 1.00 0.00 C ATOM 324 CZ PHE A 22 9.241 18.203 37.143 1.00 0.00 C ATOM 0 H PHE A 22 10.698 14.915 39.940 1.00 0.00 H new ATOM 0 HA PHE A 22 10.414 16.182 42.549 1.00 0.00 H new ATOM 0 HB2 PHE A 22 7.840 16.502 41.330 1.00 0.00 H new ATOM 0 HB3 PHE A 22 8.906 17.780 41.880 1.00 0.00 H new ATOM 0 HD1 PHE A 22 9.062 15.372 38.958 1.00 0.00 H new ATOM 0 HD2 PHE A 22 9.116 19.431 40.259 1.00 0.00 H new ATOM 0 HE1 PHE A 22 9.209 16.135 36.624 1.00 0.00 H new ATOM 0 HE2 PHE A 22 9.268 20.173 37.933 1.00 0.00 H new ATOM 0 HZ PHE A 22 9.302 18.536 36.117 1.00 0.00 H new ATOM 334 N LYS A 23 8.483 14.571 43.084 1.00 0.00 N ATOM 335 CA LYS A 23 7.729 13.377 43.496 1.00 0.00 C ATOM 336 C LYS A 23 6.321 13.438 42.930 1.00 0.00 C ATOM 337 O LYS A 23 5.663 14.455 43.029 1.00 0.00 O ATOM 338 CB LYS A 23 7.645 13.382 45.030 1.00 0.00 C ATOM 339 CG LYS A 23 7.753 11.952 45.557 1.00 0.00 C ATOM 340 CD LYS A 23 7.404 11.945 47.049 1.00 0.00 C ATOM 341 CE LYS A 23 8.614 12.430 47.852 1.00 0.00 C ATOM 342 NZ LYS A 23 9.743 11.464 47.729 1.00 0.00 N ATOM 0 H LYS A 23 8.434 15.359 43.730 1.00 0.00 H new ATOM 0 HA LYS A 23 8.223 12.476 43.132 1.00 0.00 H new ATOM 0 HB2 LYS A 23 8.445 13.994 45.446 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.703 13.828 45.351 1.00 0.00 H new ATOM 0 HG2 LYS A 23 7.077 11.296 45.009 1.00 0.00 H new ATOM 0 HG3 LYS A 23 8.762 11.569 45.404 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.546 12.590 47.237 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.123 10.940 47.364 1.00 0.00 H new ATOM 0 HE2 LYS A 23 8.926 13.411 47.494 1.00 0.00 H new ATOM 0 HE3 LYS A 23 8.339 12.546 48.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 10.063 11.182 48.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 9.425 10.623 47.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 10.529 11.912 47.217 1.00 0.00 H new ATOM 356 N VAL A 24 5.885 12.352 42.345 1.00 0.00 N ATOM 357 CA VAL A 24 4.516 12.326 41.763 1.00 0.00 C ATOM 358 C VAL A 24 3.726 11.159 42.314 1.00 0.00 C ATOM 359 O VAL A 24 4.264 10.091 42.541 1.00 0.00 O ATOM 360 CB VAL A 24 4.640 12.170 40.233 1.00 0.00 C ATOM 361 CG1 VAL A 24 3.403 11.452 39.686 1.00 0.00 C ATOM 362 CG2 VAL A 24 4.727 13.553 39.590 1.00 0.00 C ATOM 0 H VAL A 24 6.417 11.487 42.247 1.00 0.00 H new ATOM 0 HA VAL A 24 3.999 13.251 42.019 1.00 0.00 H new ATOM 0 HB VAL A 24 5.535 11.591 40.003 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.494 11.343 38.605 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.322 10.466 40.144 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.512 12.035 39.919 1.00 0.00 H new ATOM 0 HG21 VAL A 24 4.815 13.447 38.509 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.828 14.122 39.827 1.00 0.00 H new ATOM 0 HG23 VAL A 24 5.601 14.079 39.975 1.00 0.00 H new ATOM 372 N LYS A 25 2.458 11.389 42.519 1.00 0.00 N ATOM 373 CA LYS A 25 1.581 10.317 43.058 1.00 0.00 C ATOM 374 C LYS A 25 0.425 10.065 42.106 1.00 0.00 C ATOM 375 O LYS A 25 -0.303 10.975 41.756 1.00 0.00 O ATOM 376 CB LYS A 25 1.013 10.776 44.408 1.00 0.00 C ATOM 377 CG LYS A 25 2.151 10.888 45.422 1.00 0.00 C ATOM 378 CD LYS A 25 1.567 11.259 46.787 1.00 0.00 C ATOM 379 CE LYS A 25 2.671 11.188 47.845 1.00 0.00 C ATOM 380 NZ LYS A 25 2.950 12.543 48.398 1.00 0.00 N ATOM 0 H LYS A 25 1.992 12.277 42.335 1.00 0.00 H new ATOM 0 HA LYS A 25 2.161 9.402 43.176 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.513 11.738 44.297 1.00 0.00 H new ATOM 0 HB3 LYS A 25 0.264 10.067 44.761 1.00 0.00 H new ATOM 0 HG2 LYS A 25 2.691 9.944 45.488 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.868 11.644 45.101 1.00 0.00 H new ATOM 0 HD2 LYS A 25 1.143 12.263 46.754 1.00 0.00 H new ATOM 0 HD3 LYS A 25 0.755 10.579 47.045 1.00 0.00 H new ATOM 0 HE2 LYS A 25 2.371 10.515 48.648 1.00 0.00 H new ATOM 0 HE3 LYS A 25 3.578 10.774 47.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 3.876 12.541 48.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 2.957 13.239 47.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 2.211 12.796 49.085 1.00 0.00 H new ATOM 394 N LEU A 26 0.279 8.842 41.696 1.00 0.00 N ATOM 395 CA LEU A 26 -0.820 8.519 40.770 1.00 0.00 C ATOM 396 C LEU A 26 -2.161 8.522 41.488 1.00 0.00 C ATOM 397 O LEU A 26 -2.223 8.643 42.695 1.00 0.00 O ATOM 398 CB LEU A 26 -0.559 7.128 40.188 1.00 0.00 C ATOM 399 CG LEU A 26 0.818 7.140 39.529 1.00 0.00 C ATOM 400 CD1 LEU A 26 1.026 5.844 38.745 1.00 0.00 C ATOM 401 CD2 LEU A 26 0.901 8.319 38.571 1.00 0.00 C ATOM 0 H LEU A 26 0.874 8.058 41.964 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.858 9.271 39.982 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.598 6.373 40.973 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.327 6.870 39.459 1.00 0.00 H new ATOM 0 HG LEU A 26 1.587 7.227 40.297 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.010 5.856 38.276 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.958 4.994 39.423 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.259 5.757 37.976 1.00 0.00 H new ATOM 0 HD21 LEU A 26 1.882 8.334 38.097 1.00 0.00 H new ATOM 0 HD22 LEU A 26 0.130 8.222 37.807 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.751 9.247 39.122 1.00 0.00 H new ATOM 413 N GLU A 27 -3.213 8.393 40.730 1.00 0.00 N ATOM 414 CA GLU A 27 -4.561 8.387 41.349 1.00 0.00 C ATOM 415 C GLU A 27 -4.633 7.371 42.477 1.00 0.00 C ATOM 416 O GLU A 27 -5.202 7.635 43.518 1.00 0.00 O ATOM 417 CB GLU A 27 -5.597 8.014 40.275 1.00 0.00 C ATOM 418 CG GLU A 27 -6.742 9.029 40.318 1.00 0.00 C ATOM 419 CD GLU A 27 -7.875 8.562 39.400 1.00 0.00 C ATOM 420 OE1 GLU A 27 -8.480 7.562 39.750 1.00 0.00 O ATOM 421 OE2 GLU A 27 -8.073 9.235 38.401 1.00 0.00 O ATOM 0 H GLU A 27 -3.196 8.292 39.715 1.00 0.00 H new ATOM 0 HA GLU A 27 -4.766 9.377 41.757 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -5.133 8.010 39.289 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -5.978 7.008 40.452 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -7.108 9.137 41.339 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -6.385 10.009 40.002 1.00 0.00 H new ATOM 428 N ASN A 28 -4.056 6.225 42.255 1.00 0.00 N ATOM 429 CA ASN A 28 -4.084 5.186 43.309 1.00 0.00 C ATOM 430 C ASN A 28 -3.171 5.574 44.460 1.00 0.00 C ATOM 431 O ASN A 28 -3.241 5.006 45.532 1.00 0.00 O ATOM 432 CB ASN A 28 -3.586 3.869 42.711 1.00 0.00 C ATOM 433 CG ASN A 28 -4.422 2.712 43.263 1.00 0.00 C ATOM 434 OD1 ASN A 28 -5.010 1.948 42.523 1.00 0.00 O ATOM 435 ND2 ASN A 28 -4.503 2.546 44.556 1.00 0.00 N ATOM 0 H ASN A 28 -3.571 5.967 41.396 1.00 0.00 H new ATOM 0 HA ASN A 28 -5.103 5.082 43.681 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -3.660 3.899 41.624 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -2.534 3.721 42.955 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -5.057 1.779 44.938 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -4.012 3.183 45.184 1.00 0.00 H new ATOM 442 N GLY A 29 -2.322 6.540 44.209 1.00 0.00 N ATOM 443 CA GLY A 29 -1.382 6.994 45.274 1.00 0.00 C ATOM 444 C GLY A 29 0.033 6.462 45.020 1.00 0.00 C ATOM 445 O GLY A 29 0.941 6.739 45.781 1.00 0.00 O ATOM 0 H GLY A 29 -2.241 7.030 43.318 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -1.364 8.083 45.308 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -1.735 6.650 46.246 1.00 0.00 H new ATOM 449 N HIS A 30 0.201 5.706 43.961 1.00 0.00 N ATOM 450 CA HIS A 30 1.555 5.167 43.673 1.00 0.00 C ATOM 451 C HIS A 30 2.583 6.281 43.586 1.00 0.00 C ATOM 452 O HIS A 30 2.637 7.007 42.612 1.00 0.00 O ATOM 453 CB HIS A 30 1.517 4.435 42.332 1.00 0.00 C ATOM 454 CG HIS A 30 0.666 3.185 42.479 1.00 0.00 C ATOM 455 ND1 HIS A 30 -0.531 3.107 42.166 1.00 0.00 N ATOM 456 CD2 HIS A 30 1.001 1.942 42.978 1.00 0.00 C ATOM 457 CE1 HIS A 30 -1.001 1.962 42.407 1.00 0.00 C ATOM 458 NE2 HIS A 30 -0.094 1.138 42.930 1.00 0.00 N ATOM 0 H HIS A 30 -0.530 5.446 43.299 1.00 0.00 H new ATOM 0 HA HIS A 30 1.838 4.493 44.482 1.00 0.00 H new ATOM 0 HB2 HIS A 30 1.104 5.084 41.560 1.00 0.00 H new ATOM 0 HB3 HIS A 30 2.527 4.169 42.019 1.00 0.00 H new ATOM 0 HD2 HIS A 30 1.975 1.655 43.347 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -2.025 1.680 42.211 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -0.194 0.164 43.217 1.00 0.00 H new ATOM 466 N GLU A 31 3.380 6.399 44.607 1.00 0.00 N ATOM 467 CA GLU A 31 4.411 7.454 44.609 1.00 0.00 C ATOM 468 C GLU A 31 5.575 7.063 43.703 1.00 0.00 C ATOM 469 O GLU A 31 6.163 6.013 43.871 1.00 0.00 O ATOM 470 CB GLU A 31 4.927 7.605 46.051 1.00 0.00 C ATOM 471 CG GLU A 31 6.046 8.649 46.095 1.00 0.00 C ATOM 472 CD GLU A 31 6.787 8.528 47.429 1.00 0.00 C ATOM 473 OE1 GLU A 31 7.987 8.325 47.366 1.00 0.00 O ATOM 474 OE2 GLU A 31 6.108 8.646 48.438 1.00 0.00 O ATOM 0 H GLU A 31 3.358 5.808 45.438 1.00 0.00 H new ATOM 0 HA GLU A 31 3.984 8.388 44.243 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.112 7.905 46.709 1.00 0.00 H new ATOM 0 HB3 GLU A 31 5.296 6.647 46.417 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.736 8.496 45.265 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.631 9.651 45.984 1.00 0.00 H new ATOM 481 N ILE A 32 5.883 7.916 42.754 1.00 0.00 N ATOM 482 CA ILE A 32 7.007 7.607 41.830 1.00 0.00 C ATOM 483 C ILE A 32 7.868 8.830 41.581 1.00 0.00 C ATOM 484 O ILE A 32 7.402 9.950 41.662 1.00 0.00 O ATOM 485 CB ILE A 32 6.429 7.149 40.514 1.00 0.00 C ATOM 486 CG1 ILE A 32 5.377 6.083 40.757 1.00 0.00 C ATOM 487 CG2 ILE A 32 7.555 6.541 39.666 1.00 0.00 C ATOM 488 CD1 ILE A 32 4.828 5.606 39.414 1.00 0.00 C ATOM 0 H ILE A 32 5.407 8.802 42.585 1.00 0.00 H new ATOM 0 HA ILE A 32 7.628 6.834 42.282 1.00 0.00 H new ATOM 0 HB ILE A 32 5.977 7.998 40.001 1.00 0.00 H new ATOM 0 HG12 ILE A 32 5.810 5.246 41.305 1.00 0.00 H new ATOM 0 HG13 ILE A 32 4.571 6.484 41.372 1.00 0.00 H new ATOM 0 HG21 ILE A 32 7.151 6.205 38.711 1.00 0.00 H new ATOM 0 HG22 ILE A 32 8.325 7.293 39.490 1.00 0.00 H new ATOM 0 HG23 ILE A 32 7.990 5.693 40.194 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.071 4.840 39.582 1.00 0.00 H new ATOM 0 HD12 ILE A 32 4.381 6.447 38.884 1.00 0.00 H new ATOM 0 HD13 ILE A 32 5.639 5.190 38.816 1.00 0.00 H new ATOM 500 N LEU A 33 9.113 8.597 41.282 1.00 0.00 N ATOM 501 CA LEU A 33 10.014 9.724 41.025 1.00 0.00 C ATOM 502 C LEU A 33 9.990 10.058 39.554 1.00 0.00 C ATOM 503 O LEU A 33 10.087 9.176 38.724 1.00 0.00 O ATOM 504 CB LEU A 33 11.435 9.307 41.425 1.00 0.00 C ATOM 505 CG LEU A 33 11.535 9.287 42.954 1.00 0.00 C ATOM 506 CD1 LEU A 33 10.404 8.423 43.522 1.00 0.00 C ATOM 507 CD2 LEU A 33 12.880 8.688 43.366 1.00 0.00 C ATOM 0 H LEU A 33 9.535 7.672 41.207 1.00 0.00 H new ATOM 0 HA LEU A 33 9.699 10.596 41.598 1.00 0.00 H new ATOM 0 HB2 LEU A 33 11.667 8.322 41.019 1.00 0.00 H new ATOM 0 HB3 LEU A 33 12.163 10.003 41.009 1.00 0.00 H new ATOM 0 HG LEU A 33 11.453 10.303 43.340 1.00 0.00 H new ATOM 0 HD11 LEU A 33 10.471 8.405 44.610 1.00 0.00 H new ATOM 0 HD12 LEU A 33 9.442 8.841 43.224 1.00 0.00 H new ATOM 0 HD13 LEU A 33 10.493 7.407 43.137 1.00 0.00 H new ATOM 0 HD21 LEU A 33 12.954 8.673 44.453 1.00 0.00 H new ATOM 0 HD22 LEU A 33 12.958 7.671 42.983 1.00 0.00 H new ATOM 0 HD23 LEU A 33 13.689 9.293 42.956 1.00 0.00 H new ATOM 519 N CYS A 34 9.856 11.322 39.249 1.00 0.00 N ATOM 520 CA CYS A 34 9.821 11.723 37.824 1.00 0.00 C ATOM 521 C CYS A 34 10.757 12.891 37.567 1.00 0.00 C ATOM 522 O CYS A 34 10.774 13.846 38.317 1.00 0.00 O ATOM 523 CB CYS A 34 8.390 12.154 37.497 1.00 0.00 C ATOM 524 SG CYS A 34 7.624 13.364 38.598 1.00 0.00 S ATOM 0 H CYS A 34 9.770 12.083 39.922 1.00 0.00 H new ATOM 0 HA CYS A 34 10.138 10.886 37.202 1.00 0.00 H new ATOM 0 HB2 CYS A 34 8.382 12.563 36.487 1.00 0.00 H new ATOM 0 HB3 CYS A 34 7.763 11.263 37.485 1.00 0.00 H new ATOM 0 HG CYS A 34 8.223 13.341 39.752 1.00 0.00 H new ATOM 530 N HIS A 35 11.518 12.793 36.504 1.00 0.00 N ATOM 531 CA HIS A 35 12.467 13.893 36.177 1.00 0.00 C ATOM 532 C HIS A 35 11.940 14.743 35.030 1.00 0.00 C ATOM 533 O HIS A 35 10.912 14.446 34.457 1.00 0.00 O ATOM 534 CB HIS A 35 13.805 13.269 35.753 1.00 0.00 C ATOM 535 CG HIS A 35 14.906 14.321 35.856 1.00 0.00 C ATOM 536 ND1 HIS A 35 15.089 15.241 35.034 1.00 0.00 N ATOM 537 CD2 HIS A 35 15.886 14.482 36.814 1.00 0.00 C ATOM 538 CE1 HIS A 35 16.073 15.967 35.362 1.00 0.00 C ATOM 539 NE2 HIS A 35 16.652 15.560 36.492 1.00 0.00 N ATOM 0 H HIS A 35 11.521 12.005 35.856 1.00 0.00 H new ATOM 0 HA HIS A 35 12.589 14.528 37.054 1.00 0.00 H new ATOM 0 HB2 HIS A 35 14.040 12.416 36.390 1.00 0.00 H new ATOM 0 HB3 HIS A 35 13.738 12.895 34.731 1.00 0.00 H new ATOM 0 HD2 HIS A 35 16.023 13.853 37.681 1.00 0.00 H new ATOM 0 HE1 HIS A 35 16.406 16.821 34.790 1.00 0.00 H new ATOM 0 HE2 HIS A 35 17.455 15.952 36.984 1.00 0.00 H new ATOM 547 N ILE A 36 12.666 15.787 34.714 1.00 0.00 N ATOM 548 CA ILE A 36 12.238 16.677 33.613 1.00 0.00 C ATOM 549 C ILE A 36 12.982 16.384 32.323 1.00 0.00 C ATOM 550 O ILE A 36 14.033 15.771 32.334 1.00 0.00 O ATOM 551 CB ILE A 36 12.531 18.107 34.035 1.00 0.00 C ATOM 552 CG1 ILE A 36 11.448 18.564 34.982 1.00 0.00 C ATOM 553 CG2 ILE A 36 12.515 19.012 32.790 1.00 0.00 C ATOM 554 CD1 ILE A 36 11.961 19.744 35.810 1.00 0.00 C ATOM 0 H ILE A 36 13.535 16.054 35.176 1.00 0.00 H new ATOM 0 HA ILE A 36 11.176 16.517 33.425 1.00 0.00 H new ATOM 0 HB ILE A 36 13.505 18.160 34.521 1.00 0.00 H new ATOM 0 HG12 ILE A 36 10.560 18.857 34.422 1.00 0.00 H new ATOM 0 HG13 ILE A 36 11.155 17.745 35.639 1.00 0.00 H new ATOM 0 HG21 ILE A 36 12.725 20.040 33.085 1.00 0.00 H new ATOM 0 HG22 ILE A 36 13.275 18.675 32.085 1.00 0.00 H new ATOM 0 HG23 ILE A 36 11.534 18.963 32.317 1.00 0.00 H new ATOM 0 HD11 ILE A 36 11.180 20.075 36.494 1.00 0.00 H new ATOM 0 HD12 ILE A 36 12.836 19.435 36.381 1.00 0.00 H new ATOM 0 HD13 ILE A 36 12.233 20.564 35.145 1.00 0.00 H new ATOM 566 N SER A 37 12.412 16.837 31.231 1.00 0.00 N ATOM 567 CA SER A 37 13.039 16.617 29.913 1.00 0.00 C ATOM 568 C SER A 37 13.308 17.951 29.223 1.00 0.00 C ATOM 569 O SER A 37 13.191 18.999 29.826 1.00 0.00 O ATOM 570 CB SER A 37 12.071 15.791 29.051 1.00 0.00 C ATOM 571 OG SER A 37 10.795 16.351 29.327 1.00 0.00 O ATOM 0 H SER A 37 11.532 17.353 31.209 1.00 0.00 H new ATOM 0 HA SER A 37 13.986 16.093 30.043 1.00 0.00 H new ATOM 0 HB2 SER A 37 12.318 15.865 27.992 1.00 0.00 H new ATOM 0 HB3 SER A 37 12.107 14.734 29.313 1.00 0.00 H new ATOM 0 HG SER A 37 10.274 16.402 28.499 1.00 0.00 H new ATOM 577 N GLY A 38 13.662 17.889 27.971 1.00 0.00 N ATOM 578 CA GLY A 38 13.947 19.149 27.221 1.00 0.00 C ATOM 579 C GLY A 38 12.651 19.827 26.750 1.00 0.00 C ATOM 580 O GLY A 38 12.684 20.915 26.208 1.00 0.00 O ATOM 0 H GLY A 38 13.767 17.028 27.435 1.00 0.00 H new ATOM 0 HA2 GLY A 38 14.507 19.834 27.857 1.00 0.00 H new ATOM 0 HA3 GLY A 38 14.577 18.927 26.360 1.00 0.00 H new ATOM 584 N LYS A 39 11.535 19.179 26.964 1.00 0.00 N ATOM 585 CA LYS A 39 10.256 19.787 26.525 1.00 0.00 C ATOM 586 C LYS A 39 9.867 20.964 27.393 1.00 0.00 C ATOM 587 O LYS A 39 9.790 22.082 26.924 1.00 0.00 O ATOM 588 CB LYS A 39 9.159 18.718 26.623 1.00 0.00 C ATOM 589 CG LYS A 39 9.200 17.841 25.373 1.00 0.00 C ATOM 590 CD LYS A 39 8.222 18.400 24.338 1.00 0.00 C ATOM 591 CE LYS A 39 6.901 17.635 24.435 1.00 0.00 C ATOM 592 NZ LYS A 39 5.843 18.318 23.638 1.00 0.00 N ATOM 0 H LYS A 39 11.459 18.269 27.417 1.00 0.00 H new ATOM 0 HA LYS A 39 10.375 20.147 25.503 1.00 0.00 H new ATOM 0 HB2 LYS A 39 9.307 18.109 27.515 1.00 0.00 H new ATOM 0 HB3 LYS A 39 8.181 19.191 26.719 1.00 0.00 H new ATOM 0 HG2 LYS A 39 10.210 17.818 24.963 1.00 0.00 H new ATOM 0 HG3 LYS A 39 8.935 16.814 25.625 1.00 0.00 H new ATOM 0 HD2 LYS A 39 8.055 19.463 24.514 1.00 0.00 H new ATOM 0 HD3 LYS A 39 8.639 18.304 23.336 1.00 0.00 H new ATOM 0 HE2 LYS A 39 7.037 16.616 24.073 1.00 0.00 H new ATOM 0 HE3 LYS A 39 6.591 17.564 25.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 4.953 17.786 23.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 5.702 19.282 24.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 6.135 18.363 22.641 1.00 0.00 H new ATOM 606 N LEU A 40 9.628 20.708 28.638 1.00 0.00 N ATOM 607 CA LEU A 40 9.248 21.817 29.527 1.00 0.00 C ATOM 608 C LEU A 40 10.295 22.884 29.445 1.00 0.00 C ATOM 609 O LEU A 40 10.058 24.034 29.752 1.00 0.00 O ATOM 610 CB LEU A 40 9.170 21.276 30.958 1.00 0.00 C ATOM 611 CG LEU A 40 8.353 19.986 30.942 1.00 0.00 C ATOM 612 CD1 LEU A 40 9.281 18.796 31.097 1.00 0.00 C ATOM 613 CD2 LEU A 40 7.354 19.994 32.102 1.00 0.00 C ATOM 0 H LEU A 40 9.679 19.787 29.073 1.00 0.00 H new ATOM 0 HA LEU A 40 8.285 22.236 29.235 1.00 0.00 H new ATOM 0 HB2 LEU A 40 10.171 21.086 31.347 1.00 0.00 H new ATOM 0 HB3 LEU A 40 8.706 22.011 31.616 1.00 0.00 H new ATOM 0 HG LEU A 40 7.816 19.915 29.996 1.00 0.00 H new ATOM 0 HD11 LEU A 40 8.697 17.876 31.086 1.00 0.00 H new ATOM 0 HD12 LEU A 40 9.996 18.783 30.274 1.00 0.00 H new ATOM 0 HD13 LEU A 40 9.817 18.874 32.043 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.773 19.072 32.088 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.893 20.068 33.046 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.684 20.847 31.999 1.00 0.00 H new ATOM 625 N ARG A 41 11.445 22.476 29.019 1.00 0.00 N ATOM 626 CA ARG A 41 12.546 23.419 28.894 1.00 0.00 C ATOM 627 C ARG A 41 12.304 24.329 27.705 1.00 0.00 C ATOM 628 O ARG A 41 12.640 25.496 27.725 1.00 0.00 O ATOM 629 CB ARG A 41 13.819 22.609 28.659 1.00 0.00 C ATOM 630 CG ARG A 41 14.906 23.120 29.578 1.00 0.00 C ATOM 631 CD ARG A 41 14.661 22.603 30.997 1.00 0.00 C ATOM 632 NE ARG A 41 15.881 22.856 31.814 1.00 0.00 N ATOM 633 CZ ARG A 41 16.285 21.948 32.662 1.00 0.00 C ATOM 634 NH1 ARG A 41 16.112 22.155 33.939 1.00 0.00 N ATOM 635 NH2 ARG A 41 16.848 20.864 32.204 1.00 0.00 N ATOM 0 H ARG A 41 11.661 21.516 28.752 1.00 0.00 H new ATOM 0 HA ARG A 41 12.633 24.029 29.793 1.00 0.00 H new ATOM 0 HB2 ARG A 41 13.633 21.552 28.848 1.00 0.00 H new ATOM 0 HB3 ARG A 41 14.134 22.696 27.619 1.00 0.00 H new ATOM 0 HG2 ARG A 41 15.882 22.789 29.223 1.00 0.00 H new ATOM 0 HG3 ARG A 41 14.918 24.210 29.574 1.00 0.00 H new ATOM 0 HD2 ARG A 41 13.800 23.104 31.439 1.00 0.00 H new ATOM 0 HD3 ARG A 41 14.434 21.537 30.977 1.00 0.00 H new ATOM 0 HE ARG A 41 16.396 23.730 31.712 1.00 0.00 H new ATOM 0 HH11 ARG A 41 15.668 23.015 34.261 1.00 0.00 H new ATOM 0 HH12 ARG A 41 16.421 21.457 34.615 1.00 0.00 H new ATOM 0 HH21 ARG A 41 16.966 20.736 31.199 1.00 0.00 H new ATOM 0 HH22 ARG A 41 17.170 20.144 32.851 1.00 0.00 H new ATOM 649 N MET A 42 11.716 23.768 26.688 1.00 0.00 N ATOM 650 CA MET A 42 11.431 24.557 25.480 1.00 0.00 C ATOM 651 C MET A 42 10.255 25.499 25.714 1.00 0.00 C ATOM 652 O MET A 42 10.203 26.578 25.157 1.00 0.00 O ATOM 653 CB MET A 42 11.069 23.581 24.350 1.00 0.00 C ATOM 654 CG MET A 42 11.024 24.337 23.022 1.00 0.00 C ATOM 655 SD MET A 42 9.893 23.718 21.753 1.00 0.00 S ATOM 656 CE MET A 42 8.431 23.559 22.809 1.00 0.00 C ATOM 0 H MET A 42 11.423 22.792 26.650 1.00 0.00 H new ATOM 0 HA MET A 42 12.306 25.153 25.222 1.00 0.00 H new ATOM 0 HB2 MET A 42 11.804 22.777 24.299 1.00 0.00 H new ATOM 0 HB3 MET A 42 10.103 23.117 24.550 1.00 0.00 H new ATOM 0 HG2 MET A 42 10.760 25.373 23.233 1.00 0.00 H new ATOM 0 HG3 MET A 42 12.030 24.343 22.603 1.00 0.00 H new ATOM 0 HE1 MET A 42 7.531 23.642 22.199 1.00 0.00 H new ATOM 0 HE2 MET A 42 8.445 22.589 23.306 1.00 0.00 H new ATOM 0 HE3 MET A 42 8.436 24.351 23.558 1.00 0.00 H new ATOM 666 N ASN A 43 9.329 25.077 26.542 1.00 0.00 N ATOM 667 CA ASN A 43 8.154 25.941 26.818 1.00 0.00 C ATOM 668 C ASN A 43 8.386 26.791 28.068 1.00 0.00 C ATOM 669 O ASN A 43 7.533 27.563 28.461 1.00 0.00 O ATOM 670 CB ASN A 43 6.937 25.029 27.040 1.00 0.00 C ATOM 671 CG ASN A 43 5.661 25.772 26.629 1.00 0.00 C ATOM 672 OD1 ASN A 43 4.680 25.791 27.347 1.00 0.00 O ATOM 673 ND2 ASN A 43 5.630 26.393 25.480 1.00 0.00 N ATOM 0 H ASN A 43 9.341 24.181 27.030 1.00 0.00 H new ATOM 0 HA ASN A 43 7.990 26.613 25.976 1.00 0.00 H new ATOM 0 HB2 ASN A 43 7.043 24.115 26.456 1.00 0.00 H new ATOM 0 HB3 ASN A 43 6.877 24.733 28.087 1.00 0.00 H new ATOM 0 HD21 ASN A 43 4.787 26.889 25.191 1.00 0.00 H new ATOM 0 HD22 ASN A 43 6.449 26.382 24.872 1.00 0.00 H new ATOM 680 N PHE A 44 9.554 26.628 28.655 1.00 0.00 N ATOM 681 CA PHE A 44 9.906 27.402 29.890 1.00 0.00 C ATOM 682 C PHE A 44 8.677 27.715 30.742 1.00 0.00 C ATOM 683 O PHE A 44 8.231 28.844 30.799 1.00 0.00 O ATOM 684 CB PHE A 44 10.577 28.726 29.465 1.00 0.00 C ATOM 685 CG PHE A 44 9.641 29.516 28.546 1.00 0.00 C ATOM 686 CD1 PHE A 44 9.458 29.129 27.229 1.00 0.00 C ATOM 687 CD2 PHE A 44 8.979 30.637 29.015 1.00 0.00 C ATOM 688 CE1 PHE A 44 8.627 29.853 26.398 1.00 0.00 C ATOM 689 CE2 PHE A 44 8.149 31.358 28.182 1.00 0.00 C ATOM 690 CZ PHE A 44 7.973 30.965 26.876 1.00 0.00 C ATOM 0 H PHE A 44 10.279 25.989 28.328 1.00 0.00 H new ATOM 0 HA PHE A 44 10.580 26.793 30.493 1.00 0.00 H new ATOM 0 HB2 PHE A 44 10.821 29.319 30.346 1.00 0.00 H new ATOM 0 HB3 PHE A 44 11.516 28.519 28.951 1.00 0.00 H new ATOM 0 HD1 PHE A 44 9.968 28.256 26.850 1.00 0.00 H new ATOM 0 HD2 PHE A 44 9.113 30.949 30.040 1.00 0.00 H new ATOM 0 HE1 PHE A 44 8.490 29.546 25.372 1.00 0.00 H new ATOM 0 HE2 PHE A 44 7.637 32.232 28.556 1.00 0.00 H new ATOM 0 HZ PHE A 44 7.321 31.529 26.225 1.00 0.00 H new ATOM 700 N ILE A 45 8.157 26.700 31.389 1.00 0.00 N ATOM 701 CA ILE A 45 6.964 26.900 32.243 1.00 0.00 C ATOM 702 C ILE A 45 7.353 26.940 33.717 1.00 0.00 C ATOM 703 O ILE A 45 8.456 26.580 34.078 1.00 0.00 O ATOM 704 CB ILE A 45 6.014 25.724 32.020 1.00 0.00 C ATOM 705 CG1 ILE A 45 5.676 25.615 30.543 1.00 0.00 C ATOM 706 CG2 ILE A 45 4.717 25.981 32.802 1.00 0.00 C ATOM 707 CD1 ILE A 45 5.143 24.208 30.251 1.00 0.00 C ATOM 0 H ILE A 45 8.513 25.745 31.357 1.00 0.00 H new ATOM 0 HA ILE A 45 6.491 27.846 31.980 1.00 0.00 H new ATOM 0 HB ILE A 45 6.488 24.803 32.358 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.931 26.363 30.272 1.00 0.00 H new ATOM 0 HG13 ILE A 45 6.561 25.814 29.939 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.030 25.148 32.651 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.945 26.075 33.864 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.254 26.902 32.447 1.00 0.00 H new ATOM 0 HD11 ILE A 45 4.899 24.124 29.192 1.00 0.00 H new ATOM 0 HD12 ILE A 45 5.903 23.470 30.508 1.00 0.00 H new ATOM 0 HD13 ILE A 45 4.247 24.028 30.845 1.00 0.00 H new ATOM 719 N ARG A 46 6.440 27.380 34.544 1.00 0.00 N ATOM 720 CA ARG A 46 6.736 27.451 35.989 1.00 0.00 C ATOM 721 C ARG A 46 5.494 27.118 36.809 1.00 0.00 C ATOM 722 O ARG A 46 4.819 27.998 37.306 1.00 0.00 O ATOM 723 CB ARG A 46 7.209 28.878 36.334 1.00 0.00 C ATOM 724 CG ARG A 46 6.223 29.903 35.767 1.00 0.00 C ATOM 725 CD ARG A 46 7.008 31.120 35.263 1.00 0.00 C ATOM 726 NE ARG A 46 6.118 32.315 35.274 1.00 0.00 N ATOM 727 CZ ARG A 46 6.583 33.464 34.860 1.00 0.00 C ATOM 728 NH1 ARG A 46 6.917 34.365 35.743 1.00 0.00 N ATOM 729 NH2 ARG A 46 6.701 33.673 33.577 1.00 0.00 N ATOM 0 H ARG A 46 5.507 27.691 34.273 1.00 0.00 H new ATOM 0 HA ARG A 46 7.515 26.727 36.228 1.00 0.00 H new ATOM 0 HB2 ARG A 46 7.286 28.994 37.415 1.00 0.00 H new ATOM 0 HB3 ARG A 46 8.204 29.051 35.923 1.00 0.00 H new ATOM 0 HG2 ARG A 46 5.647 29.462 34.953 1.00 0.00 H new ATOM 0 HG3 ARG A 46 5.510 30.205 36.534 1.00 0.00 H new ATOM 0 HD2 ARG A 46 7.878 31.294 35.896 1.00 0.00 H new ATOM 0 HD3 ARG A 46 7.379 30.937 34.254 1.00 0.00 H new ATOM 0 HE ARG A 46 5.155 32.237 35.601 1.00 0.00 H new ATOM 0 HH11 ARG A 46 6.813 34.167 36.738 1.00 0.00 H new ATOM 0 HH12 ARG A 46 7.282 35.267 35.438 1.00 0.00 H new ATOM 0 HH21 ARG A 46 6.432 32.945 32.915 1.00 0.00 H new ATOM 0 HH22 ARG A 46 7.062 34.564 33.237 1.00 0.00 H new ATOM 743 N ILE A 47 5.220 25.840 36.928 1.00 0.00 N ATOM 744 CA ILE A 47 4.031 25.396 37.706 1.00 0.00 C ATOM 745 C ILE A 47 4.454 24.842 39.065 1.00 0.00 C ATOM 746 O ILE A 47 5.539 24.312 39.208 1.00 0.00 O ATOM 747 CB ILE A 47 3.327 24.299 36.915 1.00 0.00 C ATOM 748 CG1 ILE A 47 2.591 24.909 35.722 1.00 0.00 C ATOM 749 CG2 ILE A 47 2.304 23.610 37.829 1.00 0.00 C ATOM 750 CD1 ILE A 47 1.237 25.471 36.176 1.00 0.00 C ATOM 0 H ILE A 47 5.773 25.088 36.517 1.00 0.00 H new ATOM 0 HA ILE A 47 3.367 26.244 37.870 1.00 0.00 H new ATOM 0 HB ILE A 47 4.064 23.580 36.557 1.00 0.00 H new ATOM 0 HG12 ILE A 47 3.193 25.702 35.278 1.00 0.00 H new ATOM 0 HG13 ILE A 47 2.441 24.153 34.951 1.00 0.00 H new ATOM 0 HG21 ILE A 47 1.793 22.823 37.275 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.817 23.176 38.687 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.574 24.342 38.175 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.718 25.904 35.321 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.633 24.668 36.599 1.00 0.00 H new ATOM 0 HD13 ILE A 47 1.397 26.241 36.931 1.00 0.00 H new ATOM 762 N LEU A 48 3.585 24.971 40.040 1.00 0.00 N ATOM 763 CA LEU A 48 3.923 24.458 41.400 1.00 0.00 C ATOM 764 C LEU A 48 3.304 23.089 41.675 1.00 0.00 C ATOM 765 O LEU A 48 2.322 22.705 41.073 1.00 0.00 O ATOM 766 CB LEU A 48 3.377 25.452 42.433 1.00 0.00 C ATOM 767 CG LEU A 48 4.461 26.478 42.761 1.00 0.00 C ATOM 768 CD1 LEU A 48 4.793 27.280 41.501 1.00 0.00 C ATOM 769 CD2 LEU A 48 3.942 27.428 43.841 1.00 0.00 C ATOM 0 H LEU A 48 2.666 25.405 39.952 1.00 0.00 H new ATOM 0 HA LEU A 48 5.006 24.353 41.463 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.491 25.953 42.042 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.072 24.925 43.337 1.00 0.00 H new ATOM 0 HG LEU A 48 5.356 25.968 43.118 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.566 28.014 41.730 1.00 0.00 H new ATOM 0 HD12 LEU A 48 5.152 26.605 40.724 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.898 27.794 41.150 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.711 28.163 44.080 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.051 27.940 43.477 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.693 26.859 44.737 1.00 0.00 H new ATOM 781 N GLU A 49 3.910 22.382 42.595 1.00 0.00 N ATOM 782 CA GLU A 49 3.413 21.040 42.960 1.00 0.00 C ATOM 783 C GLU A 49 1.891 21.006 43.042 1.00 0.00 C ATOM 784 O GLU A 49 1.257 22.012 43.292 1.00 0.00 O ATOM 785 CB GLU A 49 3.983 20.679 44.339 1.00 0.00 C ATOM 786 CG GLU A 49 5.489 20.447 44.218 1.00 0.00 C ATOM 787 CD GLU A 49 6.190 21.783 43.961 1.00 0.00 C ATOM 788 OE1 GLU A 49 6.142 22.602 44.864 1.00 0.00 O ATOM 789 OE2 GLU A 49 6.732 21.908 42.875 1.00 0.00 O ATOM 0 H GLU A 49 4.736 22.689 43.109 1.00 0.00 H new ATOM 0 HA GLU A 49 3.729 20.332 42.194 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.783 21.481 45.049 1.00 0.00 H new ATOM 0 HB3 GLU A 49 3.495 19.783 44.724 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.873 19.992 45.131 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.697 19.752 43.404 1.00 0.00 H new ATOM 796 N GLY A 50 1.334 19.842 42.826 1.00 0.00 N ATOM 797 CA GLY A 50 -0.150 19.713 42.887 1.00 0.00 C ATOM 798 C GLY A 50 -0.736 19.764 41.481 1.00 0.00 C ATOM 799 O GLY A 50 -1.926 19.595 41.291 1.00 0.00 O ATOM 0 H GLY A 50 1.839 18.982 42.612 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -0.422 18.774 43.369 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -0.568 20.516 43.494 1.00 0.00 H new ATOM 803 N ASP A 51 0.115 19.999 40.522 1.00 0.00 N ATOM 804 CA ASP A 51 -0.360 20.066 39.128 1.00 0.00 C ATOM 805 C ASP A 51 -0.289 18.695 38.472 1.00 0.00 C ATOM 806 O ASP A 51 0.630 17.943 38.711 1.00 0.00 O ATOM 807 CB ASP A 51 0.550 21.029 38.358 1.00 0.00 C ATOM 808 CG ASP A 51 0.030 21.177 36.926 1.00 0.00 C ATOM 809 OD1 ASP A 51 0.870 21.180 36.042 1.00 0.00 O ATOM 810 OD2 ASP A 51 -1.180 21.280 36.798 1.00 0.00 O ATOM 0 H ASP A 51 1.116 20.146 40.651 1.00 0.00 H new ATOM 0 HA ASP A 51 -1.395 20.408 39.115 1.00 0.00 H new ATOM 0 HB2 ASP A 51 0.572 22.001 38.852 1.00 0.00 H new ATOM 0 HB3 ASP A 51 1.573 20.653 38.349 1.00 0.00 H new ATOM 815 N LYS A 52 -1.262 18.388 37.657 1.00 0.00 N ATOM 816 CA LYS A 52 -1.249 17.081 36.995 1.00 0.00 C ATOM 817 C LYS A 52 -0.365 17.086 35.784 1.00 0.00 C ATOM 818 O LYS A 52 -0.262 18.072 35.079 1.00 0.00 O ATOM 819 CB LYS A 52 -2.683 16.715 36.578 1.00 0.00 C ATOM 820 CG LYS A 52 -3.544 16.540 37.831 1.00 0.00 C ATOM 821 CD LYS A 52 -4.916 15.995 37.423 1.00 0.00 C ATOM 822 CE LYS A 52 -5.007 14.517 37.811 1.00 0.00 C ATOM 823 NZ LYS A 52 -3.997 13.717 37.062 1.00 0.00 N ATOM 0 H LYS A 52 -2.054 18.990 37.431 1.00 0.00 H new ATOM 0 HA LYS A 52 -0.855 16.346 37.697 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.100 17.496 35.942 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -2.681 15.795 35.993 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -3.060 15.856 38.528 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -3.656 17.494 38.347 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -5.707 16.562 37.915 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -5.062 16.111 36.349 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -4.845 14.406 38.883 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -6.008 14.140 37.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -4.171 12.704 37.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -4.071 13.927 36.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -3.043 13.961 37.397 1.00 0.00 H new ATOM 837 N VAL A 53 0.257 15.970 35.557 1.00 0.00 N ATOM 838 CA VAL A 53 1.154 15.863 34.399 1.00 0.00 C ATOM 839 C VAL A 53 1.177 14.452 33.845 1.00 0.00 C ATOM 840 O VAL A 53 0.715 13.527 34.483 1.00 0.00 O ATOM 841 CB VAL A 53 2.548 16.193 34.904 1.00 0.00 C ATOM 842 CG1 VAL A 53 2.523 17.557 35.580 1.00 0.00 C ATOM 843 CG2 VAL A 53 2.972 15.137 35.926 1.00 0.00 C ATOM 0 H VAL A 53 0.178 15.129 36.129 1.00 0.00 H new ATOM 0 HA VAL A 53 0.817 16.533 33.608 1.00 0.00 H new ATOM 0 HB VAL A 53 3.250 16.206 34.070 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.521 17.800 35.945 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.205 18.313 34.862 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.826 17.535 36.417 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.972 15.367 36.293 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.270 15.136 36.760 1.00 0.00 H new ATOM 0 HG23 VAL A 53 2.976 14.155 35.454 1.00 0.00 H new ATOM 853 N ASN A 54 1.722 14.304 32.662 1.00 0.00 N ATOM 854 CA ASN A 54 1.780 12.954 32.069 1.00 0.00 C ATOM 855 C ASN A 54 3.105 12.327 32.453 1.00 0.00 C ATOM 856 O ASN A 54 4.152 12.885 32.186 1.00 0.00 O ATOM 857 CB ASN A 54 1.678 13.070 30.541 1.00 0.00 C ATOM 858 CG ASN A 54 0.307 12.560 30.086 1.00 0.00 C ATOM 859 OD1 ASN A 54 -0.160 11.525 30.521 1.00 0.00 O ATOM 860 ND2 ASN A 54 -0.369 13.256 29.213 1.00 0.00 N ATOM 0 H ASN A 54 2.121 15.054 32.097 1.00 0.00 H new ATOM 0 HA ASN A 54 0.958 12.337 32.432 1.00 0.00 H new ATOM 0 HB2 ASN A 54 1.814 14.107 30.233 1.00 0.00 H new ATOM 0 HB3 ASN A 54 2.470 12.491 30.067 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -1.284 12.931 28.899 1.00 0.00 H new ATOM 0 HD22 ASN A 54 0.017 14.125 28.844 1.00 0.00 H new ATOM 867 N VAL A 55 3.041 11.180 33.071 1.00 0.00 N ATOM 868 CA VAL A 55 4.288 10.504 33.488 1.00 0.00 C ATOM 869 C VAL A 55 4.646 9.334 32.598 1.00 0.00 C ATOM 870 O VAL A 55 3.850 8.442 32.380 1.00 0.00 O ATOM 871 CB VAL A 55 4.071 9.967 34.908 1.00 0.00 C ATOM 872 CG1 VAL A 55 5.354 9.298 35.404 1.00 0.00 C ATOM 873 CG2 VAL A 55 3.717 11.126 35.835 1.00 0.00 C ATOM 0 H VAL A 55 2.178 10.687 33.302 1.00 0.00 H new ATOM 0 HA VAL A 55 5.101 11.228 33.428 1.00 0.00 H new ATOM 0 HB VAL A 55 3.260 9.238 34.902 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.199 8.917 36.413 1.00 0.00 H new ATOM 0 HG12 VAL A 55 5.614 8.473 34.741 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.165 10.027 35.412 1.00 0.00 H new ATOM 0 HG21 VAL A 55 3.562 10.749 36.846 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.531 11.851 35.839 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.805 11.608 35.483 1.00 0.00 H new ATOM 883 N GLU A 56 5.852 9.365 32.100 1.00 0.00 N ATOM 884 CA GLU A 56 6.315 8.275 31.222 1.00 0.00 C ATOM 885 C GLU A 56 7.169 7.324 32.039 1.00 0.00 C ATOM 886 O GLU A 56 8.228 7.695 32.514 1.00 0.00 O ATOM 887 CB GLU A 56 7.171 8.876 30.095 1.00 0.00 C ATOM 888 CG GLU A 56 7.029 8.007 28.845 1.00 0.00 C ATOM 889 CD GLU A 56 7.650 8.734 27.651 1.00 0.00 C ATOM 890 OE1 GLU A 56 6.874 9.139 26.799 1.00 0.00 O ATOM 891 OE2 GLU A 56 8.864 8.843 27.656 1.00 0.00 O ATOM 0 H GLU A 56 6.533 10.105 32.269 1.00 0.00 H new ATOM 0 HA GLU A 56 5.463 7.743 30.798 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.851 9.896 29.883 1.00 0.00 H new ATOM 0 HB3 GLU A 56 8.216 8.927 30.402 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.522 7.047 28.998 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.977 7.798 28.651 1.00 0.00 H new ATOM 898 N LEU A 57 6.698 6.121 32.203 1.00 0.00 N ATOM 899 CA LEU A 57 7.481 5.141 32.992 1.00 0.00 C ATOM 900 C LEU A 57 8.401 4.331 32.096 1.00 0.00 C ATOM 901 O LEU A 57 8.064 4.026 30.966 1.00 0.00 O ATOM 902 CB LEU A 57 6.497 4.188 33.688 1.00 0.00 C ATOM 903 CG LEU A 57 5.508 5.006 34.523 1.00 0.00 C ATOM 904 CD1 LEU A 57 4.376 4.094 34.996 1.00 0.00 C ATOM 905 CD2 LEU A 57 6.232 5.581 35.741 1.00 0.00 C ATOM 0 H LEU A 57 5.813 5.779 31.828 1.00 0.00 H new ATOM 0 HA LEU A 57 8.092 5.676 33.719 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.962 3.594 32.947 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.039 3.489 34.326 1.00 0.00 H new ATOM 0 HG LEU A 57 5.101 5.818 33.920 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.668 4.671 35.591 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.863 3.672 34.132 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.788 3.288 35.603 1.00 0.00 H new ATOM 0 HD21 LEU A 57 5.532 6.164 36.339 1.00 0.00 H new ATOM 0 HD22 LEU A 57 6.633 4.766 36.344 1.00 0.00 H new ATOM 0 HD23 LEU A 57 7.048 6.223 35.410 1.00 0.00 H new ATOM 917 N SER A 58 9.554 3.994 32.613 1.00 0.00 N ATOM 918 CA SER A 58 10.508 3.202 31.796 1.00 0.00 C ATOM 919 C SER A 58 10.233 1.684 31.934 1.00 0.00 C ATOM 920 O SER A 58 10.155 1.171 33.033 1.00 0.00 O ATOM 921 CB SER A 58 11.924 3.486 32.314 1.00 0.00 C ATOM 922 OG SER A 58 11.781 3.479 33.725 1.00 0.00 O ATOM 0 H SER A 58 9.870 4.231 33.554 1.00 0.00 H new ATOM 0 HA SER A 58 10.398 3.482 30.748 1.00 0.00 H new ATOM 0 HB2 SER A 58 12.631 2.726 31.981 1.00 0.00 H new ATOM 0 HB3 SER A 58 12.295 4.446 31.955 1.00 0.00 H new ATOM 0 HG SER A 58 11.205 2.732 33.992 1.00 0.00 H new ATOM 928 N PRO A 59 10.092 0.987 30.802 1.00 0.00 N ATOM 929 CA PRO A 59 9.830 -0.455 30.822 1.00 0.00 C ATOM 930 C PRO A 59 10.964 -1.218 31.507 1.00 0.00 C ATOM 931 O PRO A 59 10.905 -2.425 31.643 1.00 0.00 O ATOM 932 CB PRO A 59 9.755 -0.870 29.335 1.00 0.00 C ATOM 933 CG PRO A 59 9.999 0.413 28.482 1.00 0.00 C ATOM 934 CD PRO A 59 10.176 1.585 29.459 1.00 0.00 C ATOM 0 HA PRO A 59 8.918 -0.681 31.374 1.00 0.00 H new ATOM 0 HB2 PRO A 59 10.504 -1.629 29.110 1.00 0.00 H new ATOM 0 HB3 PRO A 59 8.782 -1.304 29.106 1.00 0.00 H new ATOM 0 HG2 PRO A 59 10.885 0.296 27.857 1.00 0.00 H new ATOM 0 HG3 PRO A 59 9.158 0.595 27.812 1.00 0.00 H new ATOM 0 HD2 PRO A 59 11.135 2.081 29.309 1.00 0.00 H new ATOM 0 HD3 PRO A 59 9.401 2.338 29.315 1.00 0.00 H new ATOM 942 N TYR A 60 11.975 -0.490 31.924 1.00 0.00 N ATOM 943 CA TYR A 60 13.116 -1.120 32.594 1.00 0.00 C ATOM 944 C TYR A 60 13.111 -0.763 34.062 1.00 0.00 C ATOM 945 O TYR A 60 13.767 -1.394 34.866 1.00 0.00 O ATOM 946 CB TYR A 60 14.407 -0.589 31.956 1.00 0.00 C ATOM 947 CG TYR A 60 14.547 -1.169 30.546 1.00 0.00 C ATOM 948 CD1 TYR A 60 15.305 -2.302 30.327 1.00 0.00 C ATOM 949 CD2 TYR A 60 13.915 -0.569 29.477 1.00 0.00 C ATOM 950 CE1 TYR A 60 15.428 -2.826 29.057 1.00 0.00 C ATOM 951 CE2 TYR A 60 14.039 -1.094 28.206 1.00 0.00 C ATOM 952 CZ TYR A 60 14.797 -2.227 27.987 1.00 0.00 C ATOM 953 OH TYR A 60 14.922 -2.750 26.716 1.00 0.00 O ATOM 0 H TYR A 60 12.042 0.522 31.819 1.00 0.00 H new ATOM 0 HA TYR A 60 13.053 -2.203 32.488 1.00 0.00 H new ATOM 0 HB2 TYR A 60 14.385 0.500 31.914 1.00 0.00 H new ATOM 0 HB3 TYR A 60 15.268 -0.867 32.564 1.00 0.00 H new ATOM 0 HD1 TYR A 60 15.805 -2.781 31.156 1.00 0.00 H new ATOM 0 HD2 TYR A 60 13.319 0.318 29.635 1.00 0.00 H new ATOM 0 HE1 TYR A 60 16.024 -3.713 28.899 1.00 0.00 H new ATOM 0 HE2 TYR A 60 13.539 -0.615 27.377 1.00 0.00 H new ATOM 0 HH TYR A 60 14.410 -2.202 26.085 1.00 0.00 H new ATOM 963 N ASP A 61 12.365 0.255 34.382 1.00 0.00 N ATOM 964 CA ASP A 61 12.287 0.688 35.786 1.00 0.00 C ATOM 965 C ASP A 61 10.889 1.199 36.103 1.00 0.00 C ATOM 966 O ASP A 61 10.634 2.386 36.056 1.00 0.00 O ATOM 967 CB ASP A 61 13.301 1.822 36.007 1.00 0.00 C ATOM 968 CG ASP A 61 14.720 1.257 35.917 1.00 0.00 C ATOM 969 OD1 ASP A 61 15.171 0.761 36.937 1.00 0.00 O ATOM 970 OD2 ASP A 61 15.273 1.353 34.835 1.00 0.00 O ATOM 0 H ASP A 61 11.808 0.801 33.725 1.00 0.00 H new ATOM 0 HA ASP A 61 12.510 -0.156 36.438 1.00 0.00 H new ATOM 0 HB2 ASP A 61 13.160 2.602 35.259 1.00 0.00 H new ATOM 0 HB3 ASP A 61 13.142 2.283 36.982 1.00 0.00 H new ATOM 975 N LEU A 62 10.006 0.293 36.421 1.00 0.00 N ATOM 976 CA LEU A 62 8.621 0.707 36.743 1.00 0.00 C ATOM 977 C LEU A 62 8.577 1.404 38.083 1.00 0.00 C ATOM 978 O LEU A 62 7.549 1.456 38.732 1.00 0.00 O ATOM 979 CB LEU A 62 7.738 -0.546 36.798 1.00 0.00 C ATOM 980 CG LEU A 62 7.640 -1.146 35.396 1.00 0.00 C ATOM 981 CD1 LEU A 62 7.465 -2.659 35.509 1.00 0.00 C ATOM 982 CD2 LEU A 62 6.429 -0.550 34.676 1.00 0.00 C ATOM 0 H LEU A 62 10.187 -0.710 36.470 1.00 0.00 H new ATOM 0 HA LEU A 62 8.263 1.396 35.978 1.00 0.00 H new ATOM 0 HB2 LEU A 62 8.160 -1.274 37.491 1.00 0.00 H new ATOM 0 HB3 LEU A 62 6.745 -0.291 37.169 1.00 0.00 H new ATOM 0 HG LEU A 62 8.547 -0.921 34.835 1.00 0.00 H new ATOM 0 HD11 LEU A 62 7.394 -3.093 34.511 1.00 0.00 H new ATOM 0 HD12 LEU A 62 8.321 -3.086 36.031 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.554 -2.879 36.066 1.00 0.00 H new ATOM 0 HD21 LEU A 62 6.355 -0.975 33.675 1.00 0.00 H new ATOM 0 HD22 LEU A 62 5.523 -0.781 35.236 1.00 0.00 H new ATOM 0 HD23 LEU A 62 6.545 0.531 34.603 1.00 0.00 H new ATOM 994 N THR A 63 9.704 1.929 38.466 1.00 0.00 N ATOM 995 CA THR A 63 9.797 2.645 39.767 1.00 0.00 C ATOM 996 C THR A 63 10.130 4.113 39.548 1.00 0.00 C ATOM 997 O THR A 63 10.165 4.890 40.480 1.00 0.00 O ATOM 998 CB THR A 63 10.921 2.012 40.587 1.00 0.00 C ATOM 999 OG1 THR A 63 10.746 0.617 40.453 1.00 0.00 O ATOM 1000 CG2 THR A 63 10.727 2.286 42.087 1.00 0.00 C ATOM 0 H THR A 63 10.571 1.893 37.930 1.00 0.00 H new ATOM 0 HA THR A 63 8.840 2.570 40.284 1.00 0.00 H new ATOM 0 HB THR A 63 11.883 2.398 40.251 1.00 0.00 H new ATOM 0 HG1 THR A 63 11.443 0.150 40.959 1.00 0.00 H new ATOM 0 HG21 THR A 63 11.539 1.825 42.649 1.00 0.00 H new ATOM 0 HG22 THR A 63 10.728 3.362 42.263 1.00 0.00 H new ATOM 0 HG23 THR A 63 9.776 1.866 42.414 1.00 0.00 H new ATOM 1008 N ARG A 64 10.388 4.463 38.315 1.00 0.00 N ATOM 1009 CA ARG A 64 10.721 5.865 38.011 1.00 0.00 C ATOM 1010 C ARG A 64 10.243 6.243 36.608 1.00 0.00 C ATOM 1011 O ARG A 64 10.259 5.428 35.692 1.00 0.00 O ATOM 1012 CB ARG A 64 12.245 6.008 38.082 1.00 0.00 C ATOM 1013 CG ARG A 64 12.644 7.392 37.581 1.00 0.00 C ATOM 1014 CD ARG A 64 13.384 7.247 36.249 1.00 0.00 C ATOM 1015 NE ARG A 64 13.971 8.565 35.870 1.00 0.00 N ATOM 1016 CZ ARG A 64 14.502 8.713 34.685 1.00 0.00 C ATOM 1017 NH1 ARG A 64 15.107 7.698 34.130 1.00 0.00 N ATOM 1018 NH2 ARG A 64 14.411 9.873 34.093 1.00 0.00 N ATOM 0 H ARG A 64 10.380 3.832 37.514 1.00 0.00 H new ATOM 0 HA ARG A 64 10.230 6.524 38.727 1.00 0.00 H new ATOM 0 HB2 ARG A 64 12.588 5.867 39.107 1.00 0.00 H new ATOM 0 HB3 ARG A 64 12.723 5.238 37.477 1.00 0.00 H new ATOM 0 HG2 ARG A 64 11.759 8.016 37.454 1.00 0.00 H new ATOM 0 HG3 ARG A 64 13.281 7.888 38.313 1.00 0.00 H new ATOM 0 HD2 ARG A 64 14.170 6.496 36.335 1.00 0.00 H new ATOM 0 HD3 ARG A 64 12.699 6.904 35.474 1.00 0.00 H new ATOM 0 HE ARG A 64 13.958 9.343 36.529 1.00 0.00 H new ATOM 0 HH11 ARG A 64 15.160 6.805 34.621 1.00 0.00 H new ATOM 0 HH12 ARG A 64 15.526 7.798 33.206 1.00 0.00 H new ATOM 0 HH21 ARG A 64 13.931 10.645 34.555 1.00 0.00 H new ATOM 0 HH22 ARG A 64 14.819 10.007 33.168 1.00 0.00 H new ATOM 1032 N GLY A 65 9.817 7.473 36.469 1.00 0.00 N ATOM 1033 CA GLY A 65 9.329 7.944 35.142 1.00 0.00 C ATOM 1034 C GLY A 65 9.843 9.357 34.869 1.00 0.00 C ATOM 1035 O GLY A 65 10.903 9.736 35.332 1.00 0.00 O ATOM 0 H GLY A 65 9.787 8.168 37.215 1.00 0.00 H new ATOM 0 HA2 GLY A 65 9.669 7.267 34.359 1.00 0.00 H new ATOM 0 HA3 GLY A 65 8.239 7.934 35.121 1.00 0.00 H new ATOM 1039 N ARG A 66 9.093 10.110 34.115 1.00 0.00 N ATOM 1040 CA ARG A 66 9.545 11.493 33.819 1.00 0.00 C ATOM 1041 C ARG A 66 8.418 12.348 33.235 1.00 0.00 C ATOM 1042 O ARG A 66 7.617 11.876 32.452 1.00 0.00 O ATOM 1043 CB ARG A 66 10.691 11.416 32.796 1.00 0.00 C ATOM 1044 CG ARG A 66 10.445 10.243 31.843 1.00 0.00 C ATOM 1045 CD ARG A 66 11.638 10.111 30.894 1.00 0.00 C ATOM 1046 NE ARG A 66 11.559 8.800 30.192 1.00 0.00 N ATOM 1047 CZ ARG A 66 12.048 7.736 30.766 1.00 0.00 C ATOM 1048 NH1 ARG A 66 12.099 7.688 32.069 1.00 0.00 N ATOM 1049 NH2 ARG A 66 12.474 6.757 30.018 1.00 0.00 N ATOM 0 H ARG A 66 8.204 9.834 33.699 1.00 0.00 H new ATOM 0 HA ARG A 66 9.870 11.958 34.750 1.00 0.00 H new ATOM 0 HB2 ARG A 66 10.755 12.348 32.234 1.00 0.00 H new ATOM 0 HB3 ARG A 66 11.644 11.288 33.310 1.00 0.00 H new ATOM 0 HG2 ARG A 66 10.310 9.321 32.408 1.00 0.00 H new ATOM 0 HG3 ARG A 66 9.529 10.405 31.275 1.00 0.00 H new ATOM 0 HD2 ARG A 66 11.635 10.926 30.170 1.00 0.00 H new ATOM 0 HD3 ARG A 66 12.572 10.183 31.451 1.00 0.00 H new ATOM 0 HE ARG A 66 11.126 8.735 29.271 1.00 0.00 H new ATOM 0 HH11 ARG A 66 11.759 8.475 32.622 1.00 0.00 H new ATOM 0 HH12 ARG A 66 12.478 6.864 32.535 1.00 0.00 H new ATOM 0 HH21 ARG A 66 12.422 6.831 29.002 1.00 0.00 H new ATOM 0 HH22 ARG A 66 12.860 5.917 30.449 1.00 0.00 H new ATOM 1063 N ILE A 67 8.380 13.598 33.640 1.00 0.00 N ATOM 1064 CA ILE A 67 7.326 14.507 33.130 1.00 0.00 C ATOM 1065 C ILE A 67 7.785 15.151 31.836 1.00 0.00 C ATOM 1066 O ILE A 67 8.770 15.865 31.815 1.00 0.00 O ATOM 1067 CB ILE A 67 7.101 15.608 34.161 1.00 0.00 C ATOM 1068 CG1 ILE A 67 6.906 14.999 35.543 1.00 0.00 C ATOM 1069 CG2 ILE A 67 5.830 16.387 33.783 1.00 0.00 C ATOM 1070 CD1 ILE A 67 5.867 13.881 35.466 1.00 0.00 C ATOM 0 H ILE A 67 9.035 14.018 34.300 1.00 0.00 H new ATOM 0 HA ILE A 67 6.410 13.943 32.954 1.00 0.00 H new ATOM 0 HB ILE A 67 7.968 16.269 34.176 1.00 0.00 H new ATOM 0 HG12 ILE A 67 7.852 14.606 35.915 1.00 0.00 H new ATOM 0 HG13 ILE A 67 6.580 15.765 36.247 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.657 17.178 34.513 1.00 0.00 H new ATOM 0 HG22 ILE A 67 5.954 16.827 32.793 1.00 0.00 H new ATOM 0 HG23 ILE A 67 4.977 15.709 33.774 1.00 0.00 H new ATOM 0 HD11 ILE A 67 5.728 13.445 36.455 1.00 0.00 H new ATOM 0 HD12 ILE A 67 4.920 14.288 35.112 1.00 0.00 H new ATOM 0 HD13 ILE A 67 6.211 13.111 34.776 1.00 0.00 H new ATOM 1082 N THR A 68 7.067 14.882 30.783 1.00 0.00 N ATOM 1083 CA THR A 68 7.430 15.462 29.466 1.00 0.00 C ATOM 1084 C THR A 68 6.248 16.204 28.873 1.00 0.00 C ATOM 1085 O THR A 68 6.293 16.649 27.744 1.00 0.00 O ATOM 1086 CB THR A 68 7.816 14.318 28.526 1.00 0.00 C ATOM 1087 OG1 THR A 68 6.761 13.384 28.617 1.00 0.00 O ATOM 1088 CG2 THR A 68 9.048 13.565 29.053 1.00 0.00 C ATOM 0 H THR A 68 6.242 14.283 30.780 1.00 0.00 H new ATOM 0 HA THR A 68 8.259 16.159 29.593 1.00 0.00 H new ATOM 0 HB THR A 68 8.009 14.712 27.528 1.00 0.00 H new ATOM 0 HG1 THR A 68 5.909 13.835 28.441 1.00 0.00 H new ATOM 0 HG21 THR A 68 9.302 12.757 28.367 1.00 0.00 H new ATOM 0 HG22 THR A 68 9.890 14.253 29.130 1.00 0.00 H new ATOM 0 HG23 THR A 68 8.828 13.150 30.037 1.00 0.00 H new ATOM 1096 N TRP A 69 5.200 16.328 29.650 1.00 0.00 N ATOM 1097 CA TRP A 69 4.012 17.034 29.143 1.00 0.00 C ATOM 1098 C TRP A 69 3.006 17.291 30.257 1.00 0.00 C ATOM 1099 O TRP A 69 2.391 16.375 30.763 1.00 0.00 O ATOM 1100 CB TRP A 69 3.353 16.113 28.107 1.00 0.00 C ATOM 1101 CG TRP A 69 3.814 14.667 28.370 1.00 0.00 C ATOM 1102 CD1 TRP A 69 4.114 14.180 29.573 1.00 0.00 C ATOM 1103 CD2 TRP A 69 4.006 13.767 27.441 1.00 0.00 C ATOM 1104 NE1 TRP A 69 4.509 12.926 29.323 1.00 0.00 N ATOM 1105 CE2 TRP A 69 4.469 12.578 27.982 1.00 0.00 C ATOM 1106 CE3 TRP A 69 3.804 13.871 26.078 1.00 0.00 C ATOM 1107 CZ2 TRP A 69 4.726 11.502 27.160 1.00 0.00 C ATOM 1108 CZ3 TRP A 69 4.062 12.792 25.259 1.00 0.00 C ATOM 1109 CH2 TRP A 69 4.523 11.608 25.799 1.00 0.00 C ATOM 0 H TRP A 69 5.128 15.970 30.603 1.00 0.00 H new ATOM 0 HA TRP A 69 4.310 17.994 28.721 1.00 0.00 H new ATOM 0 HB2 TRP A 69 2.267 16.182 28.176 1.00 0.00 H new ATOM 0 HB3 TRP A 69 3.629 16.420 27.098 1.00 0.00 H new ATOM 0 HD1 TRP A 69 4.053 14.681 30.528 1.00 0.00 H new ATOM 0 HE1 TRP A 69 4.813 12.283 30.055 1.00 0.00 H new ATOM 0 HE3 TRP A 69 3.444 14.797 25.654 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 5.087 10.575 27.581 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 3.903 12.873 24.194 1.00 0.00 H new ATOM 0 HH2 TRP A 69 4.725 10.764 25.156 1.00 0.00 H new ATOM 1120 N ARG A 70 2.855 18.531 30.617 1.00 0.00 N ATOM 1121 CA ARG A 70 1.900 18.860 31.685 1.00 0.00 C ATOM 1122 C ARG A 70 0.465 18.619 31.218 1.00 0.00 C ATOM 1123 O ARG A 70 0.203 18.533 30.034 1.00 0.00 O ATOM 1124 CB ARG A 70 2.064 20.347 32.037 1.00 0.00 C ATOM 1125 CG ARG A 70 0.798 20.841 32.744 1.00 0.00 C ATOM 1126 CD ARG A 70 1.044 22.250 33.286 1.00 0.00 C ATOM 1127 NE ARG A 70 0.799 23.237 32.197 1.00 0.00 N ATOM 1128 CZ ARG A 70 -0.392 23.752 32.051 1.00 0.00 C ATOM 1129 NH1 ARG A 70 -1.283 23.097 31.357 1.00 0.00 N ATOM 1130 NH2 ARG A 70 -0.651 24.906 32.603 1.00 0.00 N ATOM 0 H ARG A 70 3.354 19.324 30.214 1.00 0.00 H new ATOM 0 HA ARG A 70 2.097 18.228 32.551 1.00 0.00 H new ATOM 0 HB2 ARG A 70 2.932 20.487 32.681 1.00 0.00 H new ATOM 0 HB3 ARG A 70 2.241 20.930 31.133 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -0.042 20.847 32.050 1.00 0.00 H new ATOM 0 HG3 ARG A 70 0.534 20.166 33.558 1.00 0.00 H new ATOM 0 HD2 ARG A 70 0.384 22.449 34.130 1.00 0.00 H new ATOM 0 HD3 ARG A 70 2.067 22.339 33.652 1.00 0.00 H new ATOM 0 HE ARG A 70 1.556 23.508 31.570 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -1.044 22.198 30.939 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -2.218 23.484 31.233 1.00 0.00 H new ATOM 0 HH21 ARG A 70 0.071 25.389 33.137 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -1.575 25.325 32.500 1.00 0.00 H new ATOM 1144 N LYS A 71 -0.438 18.511 32.157 1.00 0.00 N ATOM 1145 CA LYS A 71 -1.853 18.276 31.785 1.00 0.00 C ATOM 1146 C LYS A 71 -2.576 19.596 31.536 1.00 0.00 C ATOM 1147 O LYS A 71 -2.456 20.525 32.308 1.00 0.00 O ATOM 1148 CB LYS A 71 -2.546 17.546 32.947 1.00 0.00 C ATOM 1149 CG LYS A 71 -4.009 17.282 32.578 1.00 0.00 C ATOM 1150 CD LYS A 71 -4.413 15.895 33.087 1.00 0.00 C ATOM 1151 CE LYS A 71 -5.929 15.730 32.956 1.00 0.00 C ATOM 1152 NZ LYS A 71 -6.322 15.640 31.521 1.00 0.00 N ATOM 0 H LYS A 71 -0.253 18.576 33.158 1.00 0.00 H new ATOM 0 HA LYS A 71 -1.886 17.682 30.872 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -2.036 16.606 33.156 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -2.491 18.148 33.854 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -4.651 18.045 33.018 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -4.140 17.339 31.497 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -3.901 15.122 32.515 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -4.111 15.775 34.127 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -6.250 14.832 33.484 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -6.435 16.574 33.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -7.344 15.461 31.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -6.094 16.535 31.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -5.802 14.862 31.067 1.00 0.00 H new ATOM 1166 N LYS A 72 -3.319 19.653 30.462 1.00 0.00 N ATOM 1167 CA LYS A 72 -4.054 20.905 30.149 1.00 0.00 C ATOM 1168 C LYS A 72 -5.470 20.857 30.711 1.00 0.00 C ATOM 1169 O LYS A 72 -5.811 21.804 31.401 1.00 0.00 O ATOM 1170 CB LYS A 72 -4.135 21.053 28.622 1.00 0.00 C ATOM 1171 CG LYS A 72 -4.448 22.510 28.276 1.00 0.00 C ATOM 1172 CD LYS A 72 -4.998 22.580 26.849 1.00 0.00 C ATOM 1173 CE LYS A 72 -3.868 22.285 25.860 1.00 0.00 C ATOM 1174 NZ LYS A 72 -4.299 22.598 24.468 1.00 0.00 N ATOM 0 H LYS A 72 -3.446 18.891 29.795 1.00 0.00 H new ATOM 0 HA LYS A 72 -3.527 21.747 30.598 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -3.193 20.752 28.165 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -4.908 20.397 28.221 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -5.175 22.915 28.979 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -3.548 23.118 28.362 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -5.806 21.860 26.722 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -5.418 23.567 26.656 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -2.989 22.876 26.116 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -3.579 21.236 25.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -3.521 22.392 23.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -5.125 22.016 24.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -4.552 23.604 24.401 1.00 0.00 H new TER 1188 LYS A 72