USER MOD reduce.3.24.130724 H: found=0, std=0, add=782, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 780 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: C 13 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Set 1.2: C 19 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: C 11 SER OG : rot 180:sc= 0.562 USER MOD Set 2.2: C 21 THR OG1 : rot -72:sc= 0.611 USER MOD Set 3.1: A 13 ASN : amide:sc= -0.462 K(o=-0.46,f=-2.2!) USER MOD Set 3.2: A 19 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 11 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 21 THR OG1 : rot 180:sc=-0.00567 USER MOD Single : A 1 MET CE :methyl -126:sc= -0.0289 (180deg=-0.387) USER MOD Single : A 1 MET N :NH3+ 132:sc= 0.047 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 150:sc= 0.192 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 21:sc= 0.00103 USER MOD Single : A 28 GLN :FLIP amide:sc= -0.211 F(o=-1,f=-0.21) USER MOD Single : A 29 GLN : amide:sc= -0.0841 K(o=-0.084,f=-3.1!) USER MOD Single : A 35 ASN : amide:sc= -0.0229 K(o=-0.023,f=-1.3) USER MOD Single : A 38 LYS NZ :NH3+ 164:sc= -0.088 (180deg=-0.473) USER MOD Single : A 43 HIS : no HE2:sc= -1.88 K(o=-1.9,f=-3.7!) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : C 1 MET CE :methyl -123:sc= -0.0433 (180deg=-0.406) USER MOD Single : C 1 MET N :NH3+ 140:sc= 0.0398 (180deg=0) USER MOD Single : C 5 THR OG1 : rot 180:sc= 0 USER MOD Single : C 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 26 SER OG : rot 23:sc= 0.605 USER MOD Single : C 28 GLN : amide:sc= -0.618 X(o=-0.62,f=-0.13) USER MOD Single : C 29 GLN : amide:sc= -0.192 K(o=-0.19,f=-6.5!) USER MOD Single : C 35 ASN : amide:sc= -0.0541 K(o=-0.054,f=-1.4) USER MOD Single : C 38 LYS NZ :NH3+ 159:sc= -0.0565 (180deg=-0.464) USER MOD Single : C 43 HIS : no HE2:sc= -1.85 K(o=-1.8,f=-3.6!) USER MOD Single : C 48 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.018 -5.263 -11.577 1.00 0.00 N ATOM 2 CA MET A 1 -5.882 -4.420 -10.374 1.00 0.00 C ATOM 3 C MET A 1 -6.986 -4.742 -9.375 1.00 0.00 C ATOM 4 O MET A 1 -8.097 -5.098 -9.765 1.00 0.00 O ATOM 5 CB MET A 1 -5.975 -2.940 -10.752 1.00 0.00 C ATOM 6 CG MET A 1 -5.553 -2.004 -9.618 1.00 0.00 C ATOM 7 SD MET A 1 -3.771 -1.726 -9.516 1.00 0.00 S ATOM 8 CE MET A 1 -3.683 -0.590 -10.919 1.00 0.00 C ATOM 0 H1 MET A 1 -5.946 -4.669 -12.427 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.262 -5.977 -11.588 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.943 -5.739 -11.565 1.00 0.00 H new ATOM 0 HA MET A 1 -4.910 -4.624 -9.924 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.346 -2.753 -11.622 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.000 -2.709 -11.044 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.053 -1.044 -9.749 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.900 -2.418 -8.671 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.940 -0.949 -11.631 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.657 -0.537 -11.406 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.399 0.402 -10.567 1.00 0.00 H new ATOM 20 N LEU A 2 -6.679 -4.614 -8.083 1.00 0.00 N ATOM 21 CA LEU A 2 -7.644 -4.769 -7.012 1.00 0.00 C ATOM 22 C LEU A 2 -7.542 -3.520 -6.144 1.00 0.00 C ATOM 23 O LEU A 2 -6.495 -3.258 -5.556 1.00 0.00 O ATOM 24 CB LEU A 2 -7.343 -6.076 -6.272 1.00 0.00 C ATOM 25 CG LEU A 2 -8.306 -6.414 -5.126 1.00 0.00 C ATOM 26 CD1 LEU A 2 -7.915 -5.673 -3.851 1.00 0.00 C ATOM 27 CD2 LEU A 2 -9.754 -6.094 -5.485 1.00 0.00 C ATOM 0 H LEU A 2 -5.738 -4.397 -7.755 1.00 0.00 H new ATOM 0 HA LEU A 2 -8.674 -4.850 -7.360 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -7.359 -6.894 -6.992 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -6.331 -6.023 -5.871 1.00 0.00 H new ATOM 0 HG LEU A 2 -8.230 -7.488 -4.954 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -8.612 -5.929 -3.053 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -6.906 -5.962 -3.557 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -7.947 -4.598 -4.030 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -10.402 -6.348 -4.646 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -9.848 -5.031 -5.706 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -10.049 -6.674 -6.360 1.00 0.00 H new ATOM 39 N ILE A 3 -8.632 -2.752 -6.067 1.00 0.00 N ATOM 40 CA ILE A 3 -8.630 -1.457 -5.405 1.00 0.00 C ATOM 41 C ILE A 3 -9.275 -1.559 -4.032 1.00 0.00 C ATOM 42 O ILE A 3 -10.193 -2.348 -3.810 1.00 0.00 O ATOM 43 CB ILE A 3 -9.351 -0.410 -6.270 1.00 0.00 C ATOM 44 CG1 ILE A 3 -8.515 -0.056 -7.504 1.00 0.00 C ATOM 45 CG2 ILE A 3 -9.564 0.906 -5.515 1.00 0.00 C ATOM 46 CD1 ILE A 3 -8.701 -1.048 -8.647 1.00 0.00 C ATOM 0 H ILE A 3 -9.535 -3.015 -6.462 1.00 0.00 H new ATOM 0 HA ILE A 3 -7.596 -1.137 -5.273 1.00 0.00 H new ATOM 0 HB ILE A 3 -10.307 -0.857 -6.543 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -8.787 0.942 -7.847 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -7.462 -0.022 -7.226 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -10.076 1.618 -6.162 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -10.169 0.722 -4.627 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -8.598 1.315 -5.218 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -8.085 -0.747 -9.494 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -8.403 -2.043 -8.317 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -9.749 -1.064 -8.948 1.00 0.00 H new ATOM 58 N LEU A 4 -8.769 -0.733 -3.116 1.00 0.00 N ATOM 59 CA LEU A 4 -9.222 -0.639 -1.743 1.00 0.00 C ATOM 60 C LEU A 4 -9.183 0.825 -1.325 1.00 0.00 C ATOM 61 O LEU A 4 -8.440 1.623 -1.899 1.00 0.00 O ATOM 62 CB LEU A 4 -8.311 -1.475 -0.842 1.00 0.00 C ATOM 63 CG LEU A 4 -8.414 -2.973 -1.137 1.00 0.00 C ATOM 64 CD1 LEU A 4 -7.389 -3.714 -0.290 1.00 0.00 C ATOM 65 CD2 LEU A 4 -9.797 -3.519 -0.792 1.00 0.00 C ATOM 0 H LEU A 4 -8.005 -0.091 -3.325 1.00 0.00 H new ATOM 0 HA LEU A 4 -10.239 -1.020 -1.651 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -7.278 -1.152 -0.974 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -8.571 -1.294 0.201 1.00 0.00 H new ATOM 0 HG LEU A 4 -8.233 -3.120 -2.202 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -7.454 -4.783 -0.493 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -6.388 -3.358 -0.536 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -7.590 -3.532 0.766 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -9.833 -4.585 -1.015 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -9.996 -3.363 0.268 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -10.551 -2.999 -1.383 1.00 0.00 H new ATOM 77 N THR A 5 -9.987 1.174 -0.322 1.00 0.00 N ATOM 78 CA THR A 5 -10.062 2.540 0.168 1.00 0.00 C ATOM 79 C THR A 5 -9.896 2.537 1.678 1.00 0.00 C ATOM 80 O THR A 5 -10.462 1.694 2.378 1.00 0.00 O ATOM 81 CB THR A 5 -11.400 3.159 -0.245 1.00 0.00 C ATOM 82 OG1 THR A 5 -11.567 3.026 -1.635 1.00 0.00 O ATOM 83 CG2 THR A 5 -11.447 4.646 0.091 1.00 0.00 C ATOM 0 H THR A 5 -10.598 0.520 0.167 1.00 0.00 H new ATOM 0 HA THR A 5 -9.263 3.142 -0.265 1.00 0.00 H new ATOM 0 HB THR A 5 -12.190 2.640 0.298 1.00 0.00 H new ATOM 0 HG1 THR A 5 -12.522 2.956 -1.845 1.00 0.00 H new ATOM 0 HG21 THR A 5 -12.409 5.058 -0.214 1.00 0.00 H new ATOM 0 HG22 THR A 5 -11.319 4.781 1.165 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.647 5.164 -0.438 1.00 0.00 H new ATOM 91 N ARG A 6 -9.112 3.490 2.179 1.00 0.00 N ATOM 92 CA ARG A 6 -8.771 3.598 3.586 1.00 0.00 C ATOM 93 C ARG A 6 -8.764 5.067 3.973 1.00 0.00 C ATOM 94 O ARG A 6 -9.043 5.932 3.150 1.00 0.00 O ATOM 95 CB ARG A 6 -7.385 2.985 3.825 1.00 0.00 C ATOM 96 CG ARG A 6 -7.280 1.498 3.476 1.00 0.00 C ATOM 97 CD ARG A 6 -7.815 0.563 4.562 1.00 0.00 C ATOM 98 NE ARG A 6 -9.251 0.710 4.796 1.00 0.00 N ATOM 99 CZ ARG A 6 -9.904 0.069 5.765 1.00 0.00 C ATOM 100 NH1 ARG A 6 -9.277 -0.813 6.543 1.00 0.00 N ATOM 101 NH2 ARG A 6 -11.197 0.304 5.958 1.00 0.00 N ATOM 0 H ARG A 6 -8.691 4.219 1.603 1.00 0.00 H new ATOM 0 HA ARG A 6 -9.502 3.063 4.192 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -6.651 3.536 3.236 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -7.118 3.119 4.873 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -7.826 1.313 2.551 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -6.235 1.254 3.283 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -7.604 -0.468 4.280 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -7.281 0.755 5.493 1.00 0.00 H new ATOM 0 HE ARG A 6 -9.779 1.335 4.187 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -8.285 -1.004 6.400 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -9.789 -1.297 7.281 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -11.688 0.974 5.365 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -11.699 -0.185 6.699 1.00 0.00 H new ATOM 115 N LYS A 7 -8.447 5.351 5.234 1.00 0.00 N ATOM 116 CA LYS A 7 -8.301 6.705 5.738 1.00 0.00 C ATOM 117 C LYS A 7 -7.183 6.691 6.766 1.00 0.00 C ATOM 118 O LYS A 7 -6.907 5.646 7.353 1.00 0.00 O ATOM 119 CB LYS A 7 -9.644 7.174 6.307 1.00 0.00 C ATOM 120 CG LYS A 7 -9.622 8.616 6.817 1.00 0.00 C ATOM 121 CD LYS A 7 -11.035 9.102 7.136 1.00 0.00 C ATOM 122 CE LYS A 7 -11.686 8.250 8.224 1.00 0.00 C ATOM 123 NZ LYS A 7 -13.082 8.675 8.461 1.00 0.00 N ATOM 0 H LYS A 7 -8.283 4.634 5.940 1.00 0.00 H new ATOM 0 HA LYS A 7 -8.032 7.414 4.955 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -10.408 7.082 5.535 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -9.934 6.513 7.124 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -9.000 8.681 7.710 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -9.171 9.265 6.066 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -10.999 10.142 7.459 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -11.645 9.070 6.233 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -11.666 7.200 7.931 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -11.114 8.334 9.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -13.504 8.082 9.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -13.095 9.670 8.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -13.630 8.572 7.583 1.00 0.00 H new ATOM 137 N VAL A 8 -6.532 7.838 6.990 1.00 0.00 N ATOM 138 CA VAL A 8 -5.322 7.849 7.804 1.00 0.00 C ATOM 139 C VAL A 8 -5.508 7.136 9.139 1.00 0.00 C ATOM 140 O VAL A 8 -6.352 7.505 9.952 1.00 0.00 O ATOM 141 CB VAL A 8 -4.746 9.258 7.949 1.00 0.00 C ATOM 142 CG1 VAL A 8 -4.546 9.808 6.543 1.00 0.00 C ATOM 143 CG2 VAL A 8 -5.615 10.241 8.727 1.00 0.00 C ATOM 0 H VAL A 8 -6.817 8.748 6.627 1.00 0.00 H new ATOM 0 HA VAL A 8 -4.573 7.267 7.267 1.00 0.00 H new ATOM 0 HB VAL A 8 -3.824 9.163 8.523 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -4.135 10.816 6.602 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.856 9.166 5.996 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -5.504 9.837 6.024 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -5.117 11.210 8.772 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -6.577 10.351 8.227 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -5.772 9.866 9.738 1.00 0.00 H new ATOM 153 N GLY A 9 -4.694 6.096 9.343 1.00 0.00 N ATOM 154 CA GLY A 9 -4.707 5.271 10.544 1.00 0.00 C ATOM 155 C GLY A 9 -5.182 3.840 10.275 1.00 0.00 C ATOM 156 O GLY A 9 -4.952 2.957 11.100 1.00 0.00 O ATOM 0 H GLY A 9 -3.995 5.802 8.661 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -3.704 5.242 10.970 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -5.357 5.731 11.288 1.00 0.00 H new ATOM 160 N GLU A 10 -5.843 3.598 9.139 1.00 0.00 N ATOM 161 CA GLU A 10 -6.360 2.281 8.777 1.00 0.00 C ATOM 162 C GLU A 10 -5.290 1.412 8.108 1.00 0.00 C ATOM 163 O GLU A 10 -4.160 1.852 7.902 1.00 0.00 O ATOM 164 CB GLU A 10 -7.588 2.435 7.884 1.00 0.00 C ATOM 165 CG GLU A 10 -8.722 3.118 8.650 1.00 0.00 C ATOM 166 CD GLU A 10 -10.019 3.135 7.845 1.00 0.00 C ATOM 167 OE1 GLU A 10 -9.937 3.346 6.615 1.00 0.00 O ATOM 168 OE2 GLU A 10 -11.086 2.936 8.469 1.00 0.00 O ATOM 0 H GLU A 10 -6.034 4.318 8.442 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.653 1.766 9.692 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -7.332 3.021 7.001 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -7.915 1.456 7.533 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -8.887 2.599 9.594 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -8.432 4.140 8.894 1.00 0.00 H new ATOM 175 N SER A 11 -5.647 0.166 7.770 1.00 0.00 N ATOM 176 CA SER A 11 -4.687 -0.828 7.302 1.00 0.00 C ATOM 177 C SER A 11 -5.227 -1.681 6.151 1.00 0.00 C ATOM 178 O SER A 11 -6.431 -1.729 5.904 1.00 0.00 O ATOM 179 CB SER A 11 -4.322 -1.741 8.472 1.00 0.00 C ATOM 180 OG SER A 11 -3.655 -1.010 9.478 1.00 0.00 O ATOM 0 H SER A 11 -6.607 -0.175 7.815 1.00 0.00 H new ATOM 0 HA SER A 11 -3.815 -0.294 6.924 1.00 0.00 H new ATOM 0 HB2 SER A 11 -5.224 -2.196 8.882 1.00 0.00 H new ATOM 0 HB3 SER A 11 -3.686 -2.554 8.122 1.00 0.00 H new ATOM 0 HG SER A 11 -3.429 -1.607 10.221 1.00 0.00 H new ATOM 186 N ILE A 12 -4.303 -2.354 5.458 1.00 0.00 N ATOM 187 CA ILE A 12 -4.540 -3.240 4.322 1.00 0.00 C ATOM 188 C ILE A 12 -3.592 -4.429 4.455 1.00 0.00 C ATOM 189 O ILE A 12 -2.601 -4.347 5.179 1.00 0.00 O ATOM 190 CB ILE A 12 -4.291 -2.476 3.008 1.00 0.00 C ATOM 191 CG1 ILE A 12 -5.294 -1.319 2.897 1.00 0.00 C ATOM 192 CG2 ILE A 12 -4.393 -3.405 1.789 1.00 0.00 C ATOM 193 CD1 ILE A 12 -5.209 -0.621 1.539 1.00 0.00 C ATOM 0 H ILE A 12 -3.312 -2.289 5.692 1.00 0.00 H new ATOM 0 HA ILE A 12 -5.571 -3.593 4.309 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.277 -2.077 3.023 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -6.305 -1.699 3.048 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -5.104 -0.596 3.690 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -4.212 -2.833 0.879 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -3.650 -4.198 1.873 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -5.390 -3.844 1.749 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -5.935 0.191 1.501 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -4.206 -0.218 1.399 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -5.426 -1.338 0.747 1.00 0.00 H new ATOM 205 N ASN A 13 -3.872 -5.544 3.772 1.00 0.00 N ATOM 206 CA ASN A 13 -3.063 -6.750 3.906 1.00 0.00 C ATOM 207 C ASN A 13 -2.830 -7.443 2.568 1.00 0.00 C ATOM 208 O ASN A 13 -3.624 -7.313 1.636 1.00 0.00 O ATOM 209 CB ASN A 13 -3.737 -7.714 4.884 1.00 0.00 C ATOM 210 CG ASN A 13 -3.814 -7.136 6.288 1.00 0.00 C ATOM 211 OD1 ASN A 13 -4.696 -6.337 6.589 1.00 0.00 O ATOM 212 ND2 ASN A 13 -2.892 -7.532 7.158 1.00 0.00 N ATOM 0 H ASN A 13 -4.653 -5.632 3.122 1.00 0.00 H new ATOM 0 HA ASN A 13 -2.087 -6.451 4.288 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -4.742 -7.945 4.531 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -3.184 -8.653 4.908 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -2.902 -7.171 8.112 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -2.174 -8.198 6.872 1.00 0.00 H new ATOM 219 N ILE A 14 -1.721 -8.189 2.499 1.00 0.00 N ATOM 220 CA ILE A 14 -1.292 -8.918 1.311 1.00 0.00 C ATOM 221 C ILE A 14 -0.691 -10.252 1.752 1.00 0.00 C ATOM 222 O ILE A 14 0.075 -10.308 2.716 1.00 0.00 O ATOM 223 CB ILE A 14 -0.240 -8.090 0.552 1.00 0.00 C ATOM 224 CG1 ILE A 14 -0.829 -6.733 0.135 1.00 0.00 C ATOM 225 CG2 ILE A 14 0.263 -8.868 -0.669 1.00 0.00 C ATOM 226 CD1 ILE A 14 0.197 -5.852 -0.582 1.00 0.00 C ATOM 0 H ILE A 14 -1.086 -8.302 3.289 1.00 0.00 H new ATOM 0 HA ILE A 14 -2.140 -9.097 0.650 1.00 0.00 H new ATOM 0 HB ILE A 14 0.608 -7.903 1.212 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -1.685 -6.896 -0.519 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.198 -6.212 1.019 1.00 0.00 H new ATOM 0 HG21 ILE A 14 1.007 -8.273 -1.199 1.00 0.00 H new ATOM 0 HG22 ILE A 14 0.714 -9.805 -0.343 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -0.573 -9.080 -1.335 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -0.266 -4.904 -0.857 1.00 0.00 H new ATOM 0 HD12 ILE A 14 1.042 -5.664 0.081 1.00 0.00 H new ATOM 0 HD13 ILE A 14 0.547 -6.359 -1.481 1.00 0.00 H new ATOM 238 N GLY A 15 -1.044 -11.331 1.047 1.00 0.00 N ATOM 239 CA GLY A 15 -0.574 -12.664 1.377 1.00 0.00 C ATOM 240 C GLY A 15 -0.904 -13.011 2.824 1.00 0.00 C ATOM 241 O GLY A 15 -1.938 -12.603 3.354 1.00 0.00 O ATOM 0 H GLY A 15 -1.662 -11.297 0.236 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -1.034 -13.392 0.709 1.00 0.00 H new ATOM 0 HA3 GLY A 15 0.503 -12.724 1.220 1.00 0.00 H new ATOM 245 N ASP A 16 -0.008 -13.769 3.463 1.00 0.00 N ATOM 246 CA ASP A 16 -0.123 -14.142 4.865 1.00 0.00 C ATOM 247 C ASP A 16 1.139 -13.710 5.614 1.00 0.00 C ATOM 248 O ASP A 16 1.396 -14.162 6.729 1.00 0.00 O ATOM 249 CB ASP A 16 -0.374 -15.647 4.980 1.00 0.00 C ATOM 250 CG ASP A 16 -1.687 -16.052 4.316 1.00 0.00 C ATOM 251 OD1 ASP A 16 -2.733 -15.942 4.994 1.00 0.00 O ATOM 252 OD2 ASP A 16 -1.629 -16.466 3.135 1.00 0.00 O ATOM 0 H ASP A 16 0.826 -14.143 3.010 1.00 0.00 H new ATOM 0 HA ASP A 16 -0.971 -13.632 5.322 1.00 0.00 H new ATOM 0 HB2 ASP A 16 0.450 -16.190 4.518 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -0.394 -15.933 6.032 1.00 0.00 H new ATOM 257 N ASP A 17 1.933 -12.830 4.991 1.00 0.00 N ATOM 258 CA ASP A 17 3.211 -12.389 5.529 1.00 0.00 C ATOM 259 C ASP A 17 3.414 -10.881 5.371 1.00 0.00 C ATOM 260 O ASP A 17 4.469 -10.381 5.760 1.00 0.00 O ATOM 261 CB ASP A 17 4.342 -13.139 4.821 1.00 0.00 C ATOM 262 CG ASP A 17 4.226 -14.650 4.997 1.00 0.00 C ATOM 263 OD1 ASP A 17 4.655 -15.139 6.068 1.00 0.00 O ATOM 264 OD2 ASP A 17 3.714 -15.304 4.063 1.00 0.00 O ATOM 0 H ASP A 17 1.698 -12.405 4.094 1.00 0.00 H new ATOM 0 HA ASP A 17 3.219 -12.609 6.597 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.328 -12.896 3.759 1.00 0.00 H new ATOM 0 HB3 ASP A 17 5.301 -12.801 5.213 1.00 0.00 H new ATOM 269 N ILE A 18 2.440 -10.143 4.819 1.00 0.00 N ATOM 270 CA ILE A 18 2.616 -8.711 4.623 1.00 0.00 C ATOM 271 C ILE A 18 1.380 -7.936 5.078 1.00 0.00 C ATOM 272 O ILE A 18 0.251 -8.416 4.980 1.00 0.00 O ATOM 273 CB ILE A 18 2.926 -8.401 3.149 1.00 0.00 C ATOM 274 CG1 ILE A 18 4.151 -9.162 2.627 1.00 0.00 C ATOM 275 CG2 ILE A 18 3.189 -6.902 2.973 1.00 0.00 C ATOM 276 CD1 ILE A 18 3.727 -10.462 1.942 1.00 0.00 C ATOM 0 H ILE A 18 1.541 -10.512 4.508 1.00 0.00 H new ATOM 0 HA ILE A 18 3.461 -8.392 5.234 1.00 0.00 H new ATOM 0 HB ILE A 18 2.054 -8.719 2.578 1.00 0.00 H new ATOM 0 HG12 ILE A 18 4.701 -8.537 1.924 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.827 -9.384 3.453 1.00 0.00 H new ATOM 0 HG21 ILE A 18 3.408 -6.691 1.926 1.00 0.00 H new ATOM 0 HG22 ILE A 18 2.307 -6.339 3.280 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.039 -6.607 3.588 1.00 0.00 H new ATOM 0 HD11 ILE A 18 4.611 -10.987 1.579 1.00 0.00 H new ATOM 0 HD12 ILE A 18 3.198 -11.093 2.656 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.070 -10.234 1.103 1.00 0.00 H new ATOM 288 N THR A 19 1.616 -6.724 5.579 1.00 0.00 N ATOM 289 CA THR A 19 0.579 -5.792 6.002 1.00 0.00 C ATOM 290 C THR A 19 1.007 -4.388 5.584 1.00 0.00 C ATOM 291 O THR A 19 2.200 -4.118 5.429 1.00 0.00 O ATOM 292 CB THR A 19 0.396 -5.884 7.522 1.00 0.00 C ATOM 293 OG1 THR A 19 0.047 -7.199 7.886 1.00 0.00 O ATOM 294 CG2 THR A 19 -0.702 -4.949 8.028 1.00 0.00 C ATOM 0 H THR A 19 2.559 -6.356 5.704 1.00 0.00 H new ATOM 0 HA THR A 19 -0.376 -6.033 5.535 1.00 0.00 H new ATOM 0 HB THR A 19 1.345 -5.591 7.972 1.00 0.00 H new ATOM 0 HG1 THR A 19 -0.067 -7.250 8.858 1.00 0.00 H new ATOM 0 HG21 THR A 19 -0.795 -5.049 9.109 1.00 0.00 H new ATOM 0 HG22 THR A 19 -0.446 -3.919 7.779 1.00 0.00 H new ATOM 0 HG23 THR A 19 -1.649 -5.211 7.556 1.00 0.00 H new ATOM 302 N ILE A 20 0.032 -3.497 5.401 1.00 0.00 N ATOM 303 CA ILE A 20 0.253 -2.123 4.966 1.00 0.00 C ATOM 304 C ILE A 20 -0.570 -1.195 5.853 1.00 0.00 C ATOM 305 O ILE A 20 -1.641 -1.581 6.321 1.00 0.00 O ATOM 306 CB ILE A 20 -0.191 -1.983 3.503 1.00 0.00 C ATOM 307 CG1 ILE A 20 0.533 -2.960 2.570 1.00 0.00 C ATOM 308 CG2 ILE A 20 0.002 -0.547 3.007 1.00 0.00 C ATOM 309 CD1 ILE A 20 2.021 -2.648 2.405 1.00 0.00 C ATOM 0 H ILE A 20 -0.952 -3.717 5.555 1.00 0.00 H new ATOM 0 HA ILE A 20 1.308 -1.862 5.044 1.00 0.00 H new ATOM 0 HB ILE A 20 -1.252 -2.233 3.479 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.422 -3.972 2.958 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.054 -2.940 1.591 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -0.320 -0.475 1.968 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -0.591 0.132 3.619 1.00 0.00 H new ATOM 0 HG23 ILE A 20 1.055 -0.275 3.080 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.473 -3.377 1.733 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.139 -1.648 1.988 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.513 -2.697 3.377 1.00 0.00 H new ATOM 321 N THR A 21 -0.077 0.024 6.088 1.00 0.00 N ATOM 322 CA THR A 21 -0.753 0.979 6.958 1.00 0.00 C ATOM 323 C THR A 21 -0.578 2.400 6.437 1.00 0.00 C ATOM 324 O THR A 21 0.537 2.822 6.141 1.00 0.00 O ATOM 325 CB THR A 21 -0.164 0.881 8.370 1.00 0.00 C ATOM 326 OG1 THR A 21 -0.159 -0.461 8.813 1.00 0.00 O ATOM 327 CG2 THR A 21 -0.981 1.708 9.354 1.00 0.00 C ATOM 0 H THR A 21 0.793 0.370 5.683 1.00 0.00 H new ATOM 0 HA THR A 21 -1.817 0.743 6.977 1.00 0.00 H new ATOM 0 HB THR A 21 0.856 1.262 8.327 1.00 0.00 H new ATOM 0 HG1 THR A 21 0.221 -0.506 9.715 1.00 0.00 H new ATOM 0 HG21 THR A 21 -0.545 1.624 10.350 1.00 0.00 H new ATOM 0 HG22 THR A 21 -0.977 2.753 9.043 1.00 0.00 H new ATOM 0 HG23 THR A 21 -2.007 1.340 9.375 1.00 0.00 H new ATOM 335 N ILE A 22 -1.683 3.139 6.318 1.00 0.00 N ATOM 336 CA ILE A 22 -1.667 4.536 5.906 1.00 0.00 C ATOM 337 C ILE A 22 -1.421 5.397 7.148 1.00 0.00 C ATOM 338 O ILE A 22 -2.351 5.727 7.880 1.00 0.00 O ATOM 339 CB ILE A 22 -2.970 4.874 5.157 1.00 0.00 C ATOM 340 CG1 ILE A 22 -3.153 6.379 4.943 1.00 0.00 C ATOM 341 CG2 ILE A 22 -4.216 4.324 5.859 1.00 0.00 C ATOM 342 CD1 ILE A 22 -1.974 6.991 4.203 1.00 0.00 C ATOM 0 H ILE A 22 -2.618 2.778 6.507 1.00 0.00 H new ATOM 0 HA ILE A 22 -0.861 4.741 5.202 1.00 0.00 H new ATOM 0 HB ILE A 22 -2.865 4.387 4.188 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -4.069 6.557 4.379 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -3.272 6.872 5.908 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -5.104 4.592 5.287 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -4.144 3.239 5.930 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -4.287 4.749 6.860 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -2.142 8.060 4.071 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -1.062 6.836 4.780 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -1.871 6.517 3.227 1.00 0.00 H new ATOM 354 N LEU A 23 -0.159 5.766 7.398 1.00 0.00 N ATOM 355 CA LEU A 23 0.195 6.480 8.622 1.00 0.00 C ATOM 356 C LEU A 23 -0.361 7.906 8.597 1.00 0.00 C ATOM 357 O LEU A 23 -0.607 8.487 9.652 1.00 0.00 O ATOM 358 CB LEU A 23 1.716 6.503 8.837 1.00 0.00 C ATOM 359 CG LEU A 23 2.480 5.351 8.180 1.00 0.00 C ATOM 360 CD1 LEU A 23 3.977 5.622 8.293 1.00 0.00 C ATOM 361 CD2 LEU A 23 2.156 4.016 8.845 1.00 0.00 C ATOM 0 H LEU A 23 0.625 5.582 6.772 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.255 5.944 9.458 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.108 7.445 8.453 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.917 6.488 9.908 1.00 0.00 H new ATOM 0 HG LEU A 23 2.179 5.289 7.134 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.531 4.806 7.828 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.216 6.558 7.788 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.255 5.696 9.344 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.715 3.220 8.354 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.433 4.058 9.898 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.088 3.816 8.758 1.00 0.00 H new ATOM 373 N GLY A 24 -0.557 8.468 7.400 1.00 0.00 N ATOM 374 CA GLY A 24 -1.164 9.783 7.230 1.00 0.00 C ATOM 375 C GLY A 24 -0.828 10.389 5.873 1.00 0.00 C ATOM 376 O GLY A 24 -0.247 9.720 5.019 1.00 0.00 O ATOM 0 H GLY A 24 -0.297 8.019 6.522 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.246 9.700 7.333 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.818 10.448 8.021 1.00 0.00 H new ATOM 380 N VAL A 25 -1.190 11.661 5.670 1.00 0.00 N ATOM 381 CA VAL A 25 -0.857 12.379 4.443 1.00 0.00 C ATOM 382 C VAL A 25 -0.226 13.727 4.781 1.00 0.00 C ATOM 383 O VAL A 25 -0.212 14.150 5.939 1.00 0.00 O ATOM 384 CB VAL A 25 -2.075 12.553 3.519 1.00 0.00 C ATOM 385 CG1 VAL A 25 -2.895 11.264 3.430 1.00 0.00 C ATOM 386 CG2 VAL A 25 -2.986 13.702 3.948 1.00 0.00 C ATOM 0 H VAL A 25 -1.717 12.214 6.347 1.00 0.00 H new ATOM 0 HA VAL A 25 -0.134 11.777 3.893 1.00 0.00 H new ATOM 0 HB VAL A 25 -1.669 12.796 2.537 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -3.748 11.420 2.770 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.271 10.463 3.034 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.250 10.990 4.423 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.827 13.776 3.259 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.357 13.515 4.956 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -2.424 14.636 3.936 1.00 0.00 H new ATOM 396 N SER A 26 0.301 14.395 3.754 1.00 0.00 N ATOM 397 CA SER A 26 0.998 15.666 3.881 1.00 0.00 C ATOM 398 C SER A 26 0.671 16.530 2.666 1.00 0.00 C ATOM 399 O SER A 26 1.552 17.138 2.059 1.00 0.00 O ATOM 400 CB SER A 26 2.502 15.402 3.979 1.00 0.00 C ATOM 401 OG SER A 26 2.857 15.131 5.321 1.00 0.00 O ATOM 0 H SER A 26 0.252 14.057 2.793 1.00 0.00 H new ATOM 0 HA SER A 26 0.680 16.193 4.781 1.00 0.00 H new ATOM 0 HB2 SER A 26 2.774 14.559 3.344 1.00 0.00 H new ATOM 0 HB3 SER A 26 3.056 16.267 3.615 1.00 0.00 H new ATOM 0 HG SER A 26 2.064 14.840 5.817 1.00 0.00 H new ATOM 407 N GLY A 27 -0.616 16.579 2.314 1.00 0.00 N ATOM 408 CA GLY A 27 -1.080 17.250 1.114 1.00 0.00 C ATOM 409 C GLY A 27 -1.452 16.200 0.074 1.00 0.00 C ATOM 410 O GLY A 27 -1.977 15.144 0.424 1.00 0.00 O ATOM 0 H GLY A 27 -1.363 16.150 2.861 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.942 17.877 1.342 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -0.302 17.907 0.725 1.00 0.00 H new ATOM 414 N GLN A 28 -1.178 16.476 -1.203 1.00 0.00 N ATOM 415 CA GLN A 28 -1.374 15.492 -2.256 1.00 0.00 C ATOM 416 C GLN A 28 -0.262 14.436 -2.241 1.00 0.00 C ATOM 417 O GLN A 28 -0.161 13.621 -3.160 1.00 0.00 O ATOM 418 CB GLN A 28 -1.514 16.186 -3.613 1.00 0.00 C ATOM 419 CG GLN A 28 -2.926 15.955 -4.162 1.00 0.00 C ATOM 420 CD GLN A 28 -3.993 16.567 -3.248 1.00 0.00 C ATOM 421 OE1 GLN A 28 -4.534 15.777 -2.324 1.00 0.00 O flip ATOM 422 NE2 GLN A 28 -4.321 17.742 -3.378 1.00 0.00 N flip ATOM 0 H GLN A 28 -0.820 17.374 -1.527 1.00 0.00 H new ATOM 0 HA GLN A 28 -2.305 14.957 -2.071 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -1.323 17.254 -3.509 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -0.773 15.796 -4.311 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -3.006 16.391 -5.158 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -3.106 14.885 -4.267 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -3.884 18.317 -4.098 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -5.031 18.144 -2.766 1.00 0.00 H new ATOM 431 N GLN A 29 0.571 14.457 -1.192 1.00 0.00 N ATOM 432 CA GLN A 29 1.515 13.391 -0.925 1.00 0.00 C ATOM 433 C GLN A 29 0.998 12.572 0.252 1.00 0.00 C ATOM 434 O GLN A 29 0.218 13.063 1.066 1.00 0.00 O ATOM 435 CB GLN A 29 2.927 13.933 -0.684 1.00 0.00 C ATOM 436 CG GLN A 29 3.020 14.838 0.539 1.00 0.00 C ATOM 437 CD GLN A 29 4.481 15.049 0.919 1.00 0.00 C ATOM 438 OE1 GLN A 29 4.873 14.808 2.055 1.00 0.00 O ATOM 439 NE2 GLN A 29 5.301 15.504 -0.023 1.00 0.00 N ATOM 0 H GLN A 29 0.601 15.217 -0.512 1.00 0.00 H new ATOM 0 HA GLN A 29 1.596 12.744 -1.798 1.00 0.00 H new ATOM 0 HB2 GLN A 29 3.615 13.096 -0.562 1.00 0.00 H new ATOM 0 HB3 GLN A 29 3.252 14.488 -1.564 1.00 0.00 H new ATOM 0 HG2 GLN A 29 2.548 15.798 0.329 1.00 0.00 H new ATOM 0 HG3 GLN A 29 2.479 14.393 1.374 1.00 0.00 H new ATOM 0 HE21 GLN A 29 4.945 15.695 -0.960 1.00 0.00 H new ATOM 0 HE22 GLN A 29 6.286 15.662 0.191 1.00 0.00 H new ATOM 448 N VAL A 30 1.436 11.315 0.343 1.00 0.00 N ATOM 449 CA VAL A 30 0.890 10.336 1.270 1.00 0.00 C ATOM 450 C VAL A 30 2.036 9.582 1.930 1.00 0.00 C ATOM 451 O VAL A 30 3.091 9.401 1.325 1.00 0.00 O ATOM 452 CB VAL A 30 -0.031 9.386 0.490 1.00 0.00 C ATOM 453 CG1 VAL A 30 -0.620 8.311 1.398 1.00 0.00 C ATOM 454 CG2 VAL A 30 -1.196 10.152 -0.135 1.00 0.00 C ATOM 0 H VAL A 30 2.191 10.948 -0.236 1.00 0.00 H new ATOM 0 HA VAL A 30 0.308 10.821 2.053 1.00 0.00 H new ATOM 0 HB VAL A 30 0.581 8.923 -0.284 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.267 7.656 0.814 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.187 7.725 1.839 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.201 8.782 2.190 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.835 9.459 -0.682 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.776 10.637 0.650 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.809 10.907 -0.819 1.00 0.00 H new ATOM 464 N ARG A 31 1.829 9.142 3.174 1.00 0.00 N ATOM 465 CA ARG A 31 2.855 8.480 3.963 1.00 0.00 C ATOM 466 C ARG A 31 2.324 7.147 4.464 1.00 0.00 C ATOM 467 O ARG A 31 1.302 7.086 5.147 1.00 0.00 O ATOM 468 CB ARG A 31 3.252 9.396 5.117 1.00 0.00 C ATOM 469 CG ARG A 31 4.537 8.919 5.788 1.00 0.00 C ATOM 470 CD ARG A 31 4.879 9.954 6.854 1.00 0.00 C ATOM 471 NE ARG A 31 6.202 9.720 7.439 1.00 0.00 N ATOM 472 CZ ARG A 31 6.443 9.610 8.750 1.00 0.00 C ATOM 473 NH1 ARG A 31 5.454 9.653 9.636 1.00 0.00 N ATOM 474 NH2 ARG A 31 7.686 9.455 9.188 1.00 0.00 N ATOM 0 H ARG A 31 0.937 9.239 3.659 1.00 0.00 H new ATOM 0 HA ARG A 31 3.740 8.281 3.358 1.00 0.00 H new ATOM 0 HB2 ARG A 31 3.388 10.412 4.747 1.00 0.00 H new ATOM 0 HB3 ARG A 31 2.447 9.429 5.851 1.00 0.00 H new ATOM 0 HG2 ARG A 31 4.399 7.934 6.234 1.00 0.00 H new ATOM 0 HG3 ARG A 31 5.344 8.830 5.061 1.00 0.00 H new ATOM 0 HD2 ARG A 31 4.848 10.951 6.415 1.00 0.00 H new ATOM 0 HD3 ARG A 31 4.125 9.928 7.640 1.00 0.00 H new ATOM 0 HE ARG A 31 6.994 9.635 6.802 1.00 0.00 H new ATOM 0 HH11 ARG A 31 4.491 9.772 9.320 1.00 0.00 H new ATOM 0 HH12 ARG A 31 5.657 9.567 10.632 1.00 0.00 H new ATOM 0 HH21 ARG A 31 8.460 9.420 8.524 1.00 0.00 H new ATOM 0 HH22 ARG A 31 7.868 9.371 10.188 1.00 0.00 H new ATOM 488 N ILE A 32 3.032 6.074 4.115 1.00 0.00 N ATOM 489 CA ILE A 32 2.552 4.712 4.292 1.00 0.00 C ATOM 490 C ILE A 32 3.669 3.833 4.831 1.00 0.00 C ATOM 491 O ILE A 32 4.841 4.042 4.520 1.00 0.00 O ATOM 492 CB ILE A 32 2.058 4.206 2.928 1.00 0.00 C ATOM 493 CG1 ILE A 32 0.786 4.955 2.527 1.00 0.00 C ATOM 494 CG2 ILE A 32 1.774 2.701 2.940 1.00 0.00 C ATOM 495 CD1 ILE A 32 0.592 4.932 1.013 1.00 0.00 C ATOM 0 H ILE A 32 3.961 6.130 3.699 1.00 0.00 H new ATOM 0 HA ILE A 32 1.735 4.681 5.012 1.00 0.00 H new ATOM 0 HB ILE A 32 2.852 4.393 2.205 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.077 4.501 3.015 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.842 5.987 2.874 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.427 2.388 1.955 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.686 2.161 3.192 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.006 2.482 3.682 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.319 5.471 0.755 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.445 5.408 0.530 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.512 3.900 0.672 1.00 0.00 H new ATOM 507 N GLY A 33 3.295 2.845 5.641 1.00 0.00 N ATOM 508 CA GLY A 33 4.227 1.896 6.218 1.00 0.00 C ATOM 509 C GLY A 33 3.966 0.509 5.655 1.00 0.00 C ATOM 510 O GLY A 33 2.888 0.236 5.127 1.00 0.00 O ATOM 0 H GLY A 33 2.325 2.684 5.914 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.251 2.200 6.000 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.122 1.884 7.303 1.00 0.00 H new ATOM 514 N ILE A 34 4.964 -0.365 5.769 1.00 0.00 N ATOM 515 CA ILE A 34 4.908 -1.719 5.253 1.00 0.00 C ATOM 516 C ILE A 34 5.445 -2.619 6.353 1.00 0.00 C ATOM 517 O ILE A 34 6.324 -2.225 7.115 1.00 0.00 O ATOM 518 CB ILE A 34 5.741 -1.820 3.966 1.00 0.00 C ATOM 519 CG1 ILE A 34 5.223 -0.814 2.930 1.00 0.00 C ATOM 520 CG2 ILE A 34 5.673 -3.235 3.391 1.00 0.00 C ATOM 521 CD1 ILE A 34 6.101 -0.763 1.679 1.00 0.00 C ATOM 0 H ILE A 34 5.846 -0.143 6.231 1.00 0.00 H new ATOM 0 HA ILE A 34 3.893 -2.018 4.990 1.00 0.00 H new ATOM 0 HB ILE A 34 6.779 -1.591 4.206 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.205 -1.081 2.646 1.00 0.00 H new ATOM 0 HG13 ILE A 34 5.179 0.178 3.381 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.269 -3.287 2.480 1.00 0.00 H new ATOM 0 HG22 ILE A 34 6.064 -3.944 4.121 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.637 -3.485 3.162 1.00 0.00 H new ATOM 0 HD11 ILE A 34 5.692 -0.036 0.977 1.00 0.00 H new ATOM 0 HD12 ILE A 34 7.113 -0.469 1.957 1.00 0.00 H new ATOM 0 HD13 ILE A 34 6.124 -1.747 1.211 1.00 0.00 H new ATOM 533 N ASN A 35 4.915 -3.834 6.432 1.00 0.00 N ATOM 534 CA ASN A 35 5.255 -4.751 7.499 1.00 0.00 C ATOM 535 C ASN A 35 5.381 -6.152 6.922 1.00 0.00 C ATOM 536 O ASN A 35 4.394 -6.871 6.786 1.00 0.00 O ATOM 537 CB ASN A 35 4.186 -4.679 8.589 1.00 0.00 C ATOM 538 CG ASN A 35 4.527 -5.553 9.786 1.00 0.00 C ATOM 539 OD1 ASN A 35 5.655 -6.007 9.941 1.00 0.00 O ATOM 540 ND2 ASN A 35 3.544 -5.794 10.648 1.00 0.00 N ATOM 0 H ASN A 35 4.242 -4.204 5.760 1.00 0.00 H new ATOM 0 HA ASN A 35 6.209 -4.481 7.951 1.00 0.00 H new ATOM 0 HB2 ASN A 35 4.072 -3.646 8.916 1.00 0.00 H new ATOM 0 HB3 ASN A 35 3.226 -4.990 8.176 1.00 0.00 H new ATOM 0 HD21 ASN A 35 3.717 -6.373 11.470 1.00 0.00 H new ATOM 0 HD22 ASN A 35 2.617 -5.400 10.488 1.00 0.00 H new ATOM 547 N ALA A 36 6.617 -6.518 6.588 1.00 0.00 N ATOM 548 CA ALA A 36 6.925 -7.800 5.979 1.00 0.00 C ATOM 549 C ALA A 36 8.231 -8.366 6.521 1.00 0.00 C ATOM 550 O ALA A 36 9.069 -7.623 7.036 1.00 0.00 O ATOM 551 CB ALA A 36 7.043 -7.600 4.471 1.00 0.00 C ATOM 0 H ALA A 36 7.434 -5.926 6.735 1.00 0.00 H new ATOM 0 HA ALA A 36 6.129 -8.507 6.214 1.00 0.00 H new ATOM 0 HB1 ALA A 36 7.274 -8.553 3.995 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.100 -7.218 4.080 1.00 0.00 H new ATOM 0 HB3 ALA A 36 7.839 -6.886 4.260 1.00 0.00 H new ATOM 557 N PRO A 37 8.413 -9.688 6.405 1.00 0.00 N ATOM 558 CA PRO A 37 9.662 -10.357 6.709 1.00 0.00 C ATOM 559 C PRO A 37 10.727 -10.065 5.665 1.00 0.00 C ATOM 560 O PRO A 37 10.429 -9.668 4.540 1.00 0.00 O ATOM 561 CB PRO A 37 9.324 -11.848 6.680 1.00 0.00 C ATOM 562 CG PRO A 37 8.128 -11.944 5.737 1.00 0.00 C ATOM 563 CD PRO A 37 7.399 -10.633 5.972 1.00 0.00 C ATOM 0 HA PRO A 37 10.061 -10.021 7.666 1.00 0.00 H new ATOM 0 HB2 PRO A 37 10.165 -12.440 6.318 1.00 0.00 H new ATOM 0 HB3 PRO A 37 9.077 -12.220 7.675 1.00 0.00 H new ATOM 0 HG2 PRO A 37 8.441 -12.051 4.698 1.00 0.00 H new ATOM 0 HG3 PRO A 37 7.499 -12.803 5.970 1.00 0.00 H new ATOM 0 HD2 PRO A 37 6.908 -10.290 5.061 1.00 0.00 H new ATOM 0 HD3 PRO A 37 6.623 -10.747 6.729 1.00 0.00 H new ATOM 571 N LYS A 38 11.987 -10.274 6.050 1.00 0.00 N ATOM 572 CA LYS A 38 13.112 -10.163 5.138 1.00 0.00 C ATOM 573 C LYS A 38 13.093 -11.311 4.132 1.00 0.00 C ATOM 574 O LYS A 38 13.917 -11.350 3.220 1.00 0.00 O ATOM 575 CB LYS A 38 14.410 -10.133 5.948 1.00 0.00 C ATOM 576 CG LYS A 38 14.481 -8.886 6.838 1.00 0.00 C ATOM 577 CD LYS A 38 14.426 -7.615 5.994 1.00 0.00 C ATOM 578 CE LYS A 38 14.662 -6.384 6.852 1.00 0.00 C ATOM 579 NZ LYS A 38 15.991 -6.397 7.498 1.00 0.00 N ATOM 0 H LYS A 38 12.250 -10.524 7.003 1.00 0.00 H new ATOM 0 HA LYS A 38 13.042 -9.237 4.568 1.00 0.00 H new ATOM 0 HB2 LYS A 38 14.476 -11.028 6.566 1.00 0.00 H new ATOM 0 HB3 LYS A 38 15.264 -10.149 5.271 1.00 0.00 H new ATOM 0 HG2 LYS A 38 13.654 -8.893 7.548 1.00 0.00 H new ATOM 0 HG3 LYS A 38 15.402 -8.901 7.421 1.00 0.00 H new ATOM 0 HD2 LYS A 38 15.178 -7.664 5.206 1.00 0.00 H new ATOM 0 HD3 LYS A 38 13.455 -7.541 5.504 1.00 0.00 H new ATOM 0 HE2 LYS A 38 14.569 -5.490 6.235 1.00 0.00 H new ATOM 0 HE3 LYS A 38 13.889 -6.324 7.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 16.219 -5.443 7.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 15.982 -7.061 8.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 16.709 -6.696 6.808 1.00 0.00 H new ATOM 593 N ASP A 39 12.147 -12.239 4.296 1.00 0.00 N ATOM 594 CA ASP A 39 11.876 -13.302 3.336 1.00 0.00 C ATOM 595 C ASP A 39 11.315 -12.717 2.034 1.00 0.00 C ATOM 596 O ASP A 39 11.188 -13.433 1.039 1.00 0.00 O ATOM 597 CB ASP A 39 10.859 -14.264 3.953 1.00 0.00 C ATOM 598 CG ASP A 39 11.501 -15.127 5.035 1.00 0.00 C ATOM 599 OD1 ASP A 39 12.143 -16.136 4.662 1.00 0.00 O ATOM 600 OD2 ASP A 39 11.352 -14.770 6.223 1.00 0.00 O ATOM 0 H ASP A 39 11.540 -12.270 5.115 1.00 0.00 H new ATOM 0 HA ASP A 39 12.801 -13.830 3.103 1.00 0.00 H new ATOM 0 HB2 ASP A 39 10.031 -13.698 4.380 1.00 0.00 H new ATOM 0 HB3 ASP A 39 10.441 -14.903 3.175 1.00 0.00 H new ATOM 605 N VAL A 40 10.984 -11.420 2.044 1.00 0.00 N ATOM 606 CA VAL A 40 10.463 -10.713 0.884 1.00 0.00 C ATOM 607 C VAL A 40 11.092 -9.325 0.803 1.00 0.00 C ATOM 608 O VAL A 40 11.664 -8.829 1.778 1.00 0.00 O ATOM 609 CB VAL A 40 8.932 -10.628 0.942 1.00 0.00 C ATOM 610 CG1 VAL A 40 8.312 -12.006 1.184 1.00 0.00 C ATOM 611 CG2 VAL A 40 8.455 -9.713 2.063 1.00 0.00 C ATOM 0 H VAL A 40 11.074 -10.831 2.872 1.00 0.00 H new ATOM 0 HA VAL A 40 10.725 -11.266 -0.018 1.00 0.00 H new ATOM 0 HB VAL A 40 8.617 -10.228 -0.022 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.226 -11.915 1.220 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.593 -12.679 0.374 1.00 0.00 H new ATOM 0 HG13 VAL A 40 8.675 -12.407 2.131 1.00 0.00 H new ATOM 0 HG21 VAL A 40 7.365 -9.682 2.068 1.00 0.00 H new ATOM 0 HG22 VAL A 40 8.812 -10.094 3.020 1.00 0.00 H new ATOM 0 HG23 VAL A 40 8.846 -8.708 1.904 1.00 0.00 H new ATOM 621 N ALA A 41 10.989 -8.692 -0.363 1.00 0.00 N ATOM 622 CA ALA A 41 11.611 -7.404 -0.602 1.00 0.00 C ATOM 623 C ALA A 41 10.544 -6.335 -0.812 1.00 0.00 C ATOM 624 O ALA A 41 9.477 -6.620 -1.353 1.00 0.00 O ATOM 625 CB ALA A 41 12.506 -7.518 -1.836 1.00 0.00 C ATOM 0 H ALA A 41 10.473 -9.060 -1.162 1.00 0.00 H new ATOM 0 HA ALA A 41 12.211 -7.115 0.260 1.00 0.00 H new ATOM 0 HB1 ALA A 41 12.982 -6.557 -2.030 1.00 0.00 H new ATOM 0 HB2 ALA A 41 13.272 -8.274 -1.661 1.00 0.00 H new ATOM 0 HB3 ALA A 41 11.903 -7.805 -2.698 1.00 0.00 H new ATOM 631 N VAL A 42 10.830 -5.104 -0.386 1.00 0.00 N ATOM 632 CA VAL A 42 9.919 -3.982 -0.587 1.00 0.00 C ATOM 633 C VAL A 42 10.718 -2.717 -0.873 1.00 0.00 C ATOM 634 O VAL A 42 11.579 -2.330 -0.089 1.00 0.00 O ATOM 635 CB VAL A 42 9.005 -3.787 0.637 1.00 0.00 C ATOM 636 CG1 VAL A 42 8.128 -5.020 0.853 1.00 0.00 C ATOM 637 CG2 VAL A 42 9.770 -3.538 1.935 1.00 0.00 C ATOM 0 H VAL A 42 11.691 -4.860 0.103 1.00 0.00 H new ATOM 0 HA VAL A 42 9.280 -4.198 -1.443 1.00 0.00 H new ATOM 0 HB VAL A 42 8.408 -2.903 0.412 1.00 0.00 H new ATOM 0 HG11 VAL A 42 7.489 -4.864 1.722 1.00 0.00 H new ATOM 0 HG12 VAL A 42 7.508 -5.185 -0.028 1.00 0.00 H new ATOM 0 HG13 VAL A 42 8.761 -5.892 1.020 1.00 0.00 H new ATOM 0 HG21 VAL A 42 9.063 -3.410 2.755 1.00 0.00 H new ATOM 0 HG22 VAL A 42 10.418 -4.389 2.144 1.00 0.00 H new ATOM 0 HG23 VAL A 42 10.375 -2.637 1.833 1.00 0.00 H new ATOM 647 N HIS A 43 10.440 -2.061 -2.005 1.00 0.00 N ATOM 648 CA HIS A 43 11.139 -0.833 -2.357 1.00 0.00 C ATOM 649 C HIS A 43 10.318 0.019 -3.311 1.00 0.00 C ATOM 650 O HIS A 43 9.372 -0.460 -3.936 1.00 0.00 O ATOM 651 CB HIS A 43 12.476 -1.134 -3.049 1.00 0.00 C ATOM 652 CG HIS A 43 13.273 -2.287 -2.492 1.00 0.00 C ATOM 653 ND1 HIS A 43 14.333 -2.177 -1.590 1.00 0.00 N ATOM 654 CD2 HIS A 43 13.076 -3.604 -2.797 1.00 0.00 C ATOM 655 CE1 HIS A 43 14.753 -3.435 -1.374 1.00 0.00 C ATOM 656 NE2 HIS A 43 14.018 -4.311 -2.083 1.00 0.00 N ATOM 0 H HIS A 43 9.741 -2.361 -2.684 1.00 0.00 H new ATOM 0 HA HIS A 43 11.306 -0.298 -1.422 1.00 0.00 H new ATOM 0 HB2 HIS A 43 12.279 -1.332 -4.103 1.00 0.00 H new ATOM 0 HB3 HIS A 43 13.094 -0.237 -3.003 1.00 0.00 H new ATOM 0 HD1 HIS A 43 14.709 -1.322 -1.181 1.00 0.00 H new ATOM 0 HD2 HIS A 43 12.330 -4.010 -3.465 1.00 0.00 H new ATOM 0 HE1 HIS A 43 15.569 -3.706 -0.721 1.00 0.00 H new ATOM 664 N ARG A 44 10.691 1.295 -3.428 1.00 0.00 N ATOM 665 CA ARG A 44 10.125 2.180 -4.433 1.00 0.00 C ATOM 666 C ARG A 44 10.678 1.773 -5.796 1.00 0.00 C ATOM 667 O ARG A 44 11.743 1.162 -5.867 1.00 0.00 O ATOM 668 CB ARG A 44 10.456 3.627 -4.061 1.00 0.00 C ATOM 669 CG ARG A 44 9.818 4.630 -5.023 1.00 0.00 C ATOM 670 CD ARG A 44 9.846 6.039 -4.417 1.00 0.00 C ATOM 671 NE ARG A 44 11.214 6.483 -4.132 1.00 0.00 N ATOM 672 CZ ARG A 44 12.033 7.027 -5.034 1.00 0.00 C ATOM 673 NH1 ARG A 44 11.646 7.198 -6.296 1.00 0.00 N ATOM 674 NH2 ARG A 44 13.256 7.405 -4.683 1.00 0.00 N ATOM 0 H ARG A 44 11.390 1.736 -2.830 1.00 0.00 H new ATOM 0 HA ARG A 44 9.039 2.101 -4.479 1.00 0.00 H new ATOM 0 HB2 ARG A 44 10.110 3.828 -3.047 1.00 0.00 H new ATOM 0 HB3 ARG A 44 11.538 3.762 -4.062 1.00 0.00 H new ATOM 0 HG2 ARG A 44 10.353 4.624 -5.973 1.00 0.00 H new ATOM 0 HG3 ARG A 44 8.789 4.338 -5.235 1.00 0.00 H new ATOM 0 HD2 ARG A 44 9.372 6.740 -5.105 1.00 0.00 H new ATOM 0 HD3 ARG A 44 9.261 6.051 -3.497 1.00 0.00 H new ATOM 0 HE ARG A 44 11.563 6.368 -3.180 1.00 0.00 H new ATOM 0 HH11 ARG A 44 10.711 6.912 -6.586 1.00 0.00 H new ATOM 0 HH12 ARG A 44 12.284 7.615 -6.973 1.00 0.00 H new ATOM 0 HH21 ARG A 44 13.572 7.280 -3.721 1.00 0.00 H new ATOM 0 HH22 ARG A 44 13.880 7.821 -5.375 1.00 0.00 H new ATOM 688 N GLU A 45 9.967 2.107 -6.877 1.00 0.00 N ATOM 689 CA GLU A 45 10.358 1.698 -8.223 1.00 0.00 C ATOM 690 C GLU A 45 11.795 2.084 -8.553 1.00 0.00 C ATOM 691 O GLU A 45 12.467 1.389 -9.311 1.00 0.00 O ATOM 692 CB GLU A 45 9.433 2.359 -9.251 1.00 0.00 C ATOM 693 CG GLU A 45 7.972 2.085 -8.923 1.00 0.00 C ATOM 694 CD GLU A 45 7.068 2.565 -10.058 1.00 0.00 C ATOM 695 OE1 GLU A 45 6.805 3.786 -10.107 1.00 0.00 O ATOM 696 OE2 GLU A 45 6.649 1.706 -10.867 1.00 0.00 O ATOM 0 H GLU A 45 9.113 2.663 -6.842 1.00 0.00 H new ATOM 0 HA GLU A 45 10.277 0.612 -8.262 1.00 0.00 H new ATOM 0 HB2 GLU A 45 9.611 3.434 -9.267 1.00 0.00 H new ATOM 0 HB3 GLU A 45 9.663 1.983 -10.248 1.00 0.00 H new ATOM 0 HG2 GLU A 45 7.824 1.018 -8.759 1.00 0.00 H new ATOM 0 HG3 GLU A 45 7.701 2.590 -7.996 1.00 0.00 H new ATOM 703 N GLU A 46 12.278 3.192 -7.989 1.00 0.00 N ATOM 704 CA GLU A 46 13.621 3.680 -8.268 1.00 0.00 C ATOM 705 C GLU A 46 14.692 2.772 -7.662 1.00 0.00 C ATOM 706 O GLU A 46 15.787 2.677 -8.208 1.00 0.00 O ATOM 707 CB GLU A 46 13.742 5.107 -7.733 1.00 0.00 C ATOM 708 CG GLU A 46 15.075 5.741 -8.145 1.00 0.00 C ATOM 709 CD GLU A 46 15.198 7.192 -7.685 1.00 0.00 C ATOM 710 OE1 GLU A 46 14.150 7.795 -7.357 1.00 0.00 O ATOM 711 OE2 GLU A 46 16.345 7.691 -7.665 1.00 0.00 O ATOM 0 H GLU A 46 11.752 3.769 -7.333 1.00 0.00 H new ATOM 0 HA GLU A 46 13.785 3.675 -9.346 1.00 0.00 H new ATOM 0 HB2 GLU A 46 12.917 5.711 -8.110 1.00 0.00 H new ATOM 0 HB3 GLU A 46 13.660 5.099 -6.646 1.00 0.00 H new ATOM 0 HG2 GLU A 46 15.896 5.159 -7.725 1.00 0.00 H new ATOM 0 HG3 GLU A 46 15.175 5.697 -9.230 1.00 0.00 H new ATOM 718 N ILE A 47 14.396 2.099 -6.546 1.00 0.00 N ATOM 719 CA ILE A 47 15.327 1.178 -5.917 1.00 0.00 C ATOM 720 C ILE A 47 15.087 -0.205 -6.506 1.00 0.00 C ATOM 721 O ILE A 47 16.018 -0.993 -6.655 1.00 0.00 O ATOM 722 CB ILE A 47 15.084 1.140 -4.403 1.00 0.00 C ATOM 723 CG1 ILE A 47 15.646 2.364 -3.666 1.00 0.00 C ATOM 724 CG2 ILE A 47 15.766 -0.080 -3.783 1.00 0.00 C ATOM 725 CD1 ILE A 47 15.044 3.678 -4.153 1.00 0.00 C ATOM 0 H ILE A 47 13.503 2.182 -6.059 1.00 0.00 H new ATOM 0 HA ILE A 47 16.353 1.499 -6.096 1.00 0.00 H new ATOM 0 HB ILE A 47 14.000 1.113 -4.290 1.00 0.00 H new ATOM 0 HG12 ILE A 47 15.457 2.257 -2.598 1.00 0.00 H new ATOM 0 HG13 ILE A 47 16.728 2.395 -3.796 1.00 0.00 H new ATOM 0 HG21 ILE A 47 15.584 -0.092 -2.708 1.00 0.00 H new ATOM 0 HG22 ILE A 47 15.362 -0.989 -4.230 1.00 0.00 H new ATOM 0 HG23 ILE A 47 16.839 -0.030 -3.968 1.00 0.00 H new ATOM 0 HD11 ILE A 47 15.480 4.507 -3.595 1.00 0.00 H new ATOM 0 HD12 ILE A 47 15.256 3.804 -5.215 1.00 0.00 H new ATOM 0 HD13 ILE A 47 13.965 3.664 -3.998 1.00 0.00 H new ATOM 737 N TYR A 48 13.828 -0.492 -6.843 1.00 0.00 N ATOM 738 CA TYR A 48 13.412 -1.786 -7.347 1.00 0.00 C ATOM 739 C TYR A 48 14.170 -2.178 -8.611 1.00 0.00 C ATOM 740 O TYR A 48 14.413 -3.362 -8.853 1.00 0.00 O ATOM 741 CB TYR A 48 11.919 -1.751 -7.624 1.00 0.00 C ATOM 742 CG TYR A 48 11.425 -3.061 -8.168 1.00 0.00 C ATOM 743 CD1 TYR A 48 11.122 -4.120 -7.301 1.00 0.00 C ATOM 744 CD2 TYR A 48 11.286 -3.215 -9.551 1.00 0.00 C ATOM 745 CE1 TYR A 48 10.673 -5.341 -7.818 1.00 0.00 C ATOM 746 CE2 TYR A 48 10.848 -4.434 -10.080 1.00 0.00 C ATOM 747 CZ TYR A 48 10.528 -5.501 -9.213 1.00 0.00 C ATOM 748 OH TYR A 48 10.078 -6.681 -9.724 1.00 0.00 O ATOM 0 H TYR A 48 13.065 0.181 -6.770 1.00 0.00 H new ATOM 0 HA TYR A 48 13.639 -2.537 -6.590 1.00 0.00 H new ATOM 0 HB2 TYR A 48 11.384 -1.513 -6.705 1.00 0.00 H new ATOM 0 HB3 TYR A 48 11.699 -0.955 -8.336 1.00 0.00 H new ATOM 0 HD1 TYR A 48 11.235 -3.994 -6.234 1.00 0.00 H new ATOM 0 HD2 TYR A 48 11.517 -2.392 -10.211 1.00 0.00 H new ATOM 0 HE1 TYR A 48 10.438 -6.158 -7.152 1.00 0.00 H new ATOM 0 HE2 TYR A 48 10.755 -4.558 -11.149 1.00 0.00 H new ATOM 0 HH TYR A 48 10.037 -6.620 -10.701 1.00 0.00 H new ATOM 1605 N MET C 1 8.666 -2.367 10.535 1.00 0.00 N ATOM 1606 CA MET C 1 7.980 -1.450 9.609 1.00 0.00 C ATOM 1607 C MET C 1 8.971 -0.832 8.636 1.00 0.00 C ATOM 1608 O MET C 1 10.111 -0.569 9.010 1.00 0.00 O ATOM 1609 CB MET C 1 7.285 -0.334 10.385 1.00 0.00 C ATOM 1610 CG MET C 1 6.327 0.468 9.500 1.00 0.00 C ATOM 1611 SD MET C 1 4.738 -0.339 9.222 1.00 0.00 S ATOM 1612 CE MET C 1 4.054 0.043 10.850 1.00 0.00 C ATOM 0 H1 MET C 1 8.269 -2.257 11.490 1.00 0.00 H new ATOM 0 H2 MET C 1 8.532 -3.348 10.215 1.00 0.00 H new ATOM 0 H3 MET C 1 9.682 -2.145 10.554 1.00 0.00 H new ATOM 0 HA MET C 1 7.240 -2.026 9.054 1.00 0.00 H new ATOM 0 HB2 MET C 1 6.733 -0.763 11.221 1.00 0.00 H new ATOM 0 HB3 MET C 1 8.035 0.335 10.808 1.00 0.00 H new ATOM 0 HG2 MET C 1 6.153 1.441 9.959 1.00 0.00 H new ATOM 0 HG3 MET C 1 6.804 0.650 8.537 1.00 0.00 H new ATOM 0 HE1 MET C 1 3.763 -0.882 11.349 1.00 0.00 H new ATOM 0 HE2 MET C 1 4.806 0.557 11.449 1.00 0.00 H new ATOM 0 HE3 MET C 1 3.180 0.684 10.736 1.00 0.00 H new ATOM 1624 N LEU C 2 8.546 -0.604 7.394 1.00 0.00 N ATOM 1625 CA LEU C 2 9.342 0.069 6.382 1.00 0.00 C ATOM 1626 C LEU C 2 8.449 1.134 5.749 1.00 0.00 C ATOM 1627 O LEU C 2 7.510 0.814 5.025 1.00 0.00 O ATOM 1628 CB LEU C 2 9.874 -0.984 5.399 1.00 0.00 C ATOM 1629 CG LEU C 2 10.795 -0.452 4.295 1.00 0.00 C ATOM 1630 CD1 LEU C 2 9.992 0.055 3.100 1.00 0.00 C ATOM 1631 CD2 LEU C 2 11.709 0.668 4.797 1.00 0.00 C ATOM 0 H LEU C 2 7.624 -0.888 7.063 1.00 0.00 H new ATOM 0 HA LEU C 2 10.221 0.574 6.782 1.00 0.00 H new ATOM 0 HB2 LEU C 2 10.415 -1.743 5.964 1.00 0.00 H new ATOM 0 HB3 LEU C 2 9.024 -1.481 4.931 1.00 0.00 H new ATOM 0 HG LEU C 2 11.416 -1.292 3.984 1.00 0.00 H new ATOM 0 HD11 LEU C 2 10.674 0.426 2.334 1.00 0.00 H new ATOM 0 HD12 LEU C 2 9.395 -0.760 2.691 1.00 0.00 H new ATOM 0 HD13 LEU C 2 9.333 0.862 3.420 1.00 0.00 H new ATOM 0 HD21 LEU C 2 12.343 1.013 3.981 1.00 0.00 H new ATOM 0 HD22 LEU C 2 11.102 1.497 5.161 1.00 0.00 H new ATOM 0 HD23 LEU C 2 12.333 0.292 5.607 1.00 0.00 H new ATOM 1643 N ILE C 3 8.754 2.402 6.029 1.00 0.00 N ATOM 1644 CA ILE C 3 7.914 3.524 5.631 1.00 0.00 C ATOM 1645 C ILE C 3 8.444 4.151 4.351 1.00 0.00 C ATOM 1646 O ILE C 3 9.640 4.120 4.079 1.00 0.00 O ATOM 1647 CB ILE C 3 7.849 4.574 6.752 1.00 0.00 C ATOM 1648 CG1 ILE C 3 7.156 4.024 8.003 1.00 0.00 C ATOM 1649 CG2 ILE C 3 7.036 5.799 6.318 1.00 0.00 C ATOM 1650 CD1 ILE C 3 8.109 3.232 8.890 1.00 0.00 C ATOM 0 H ILE C 3 9.593 2.677 6.540 1.00 0.00 H new ATOM 0 HA ILE C 3 6.906 3.153 5.448 1.00 0.00 H new ATOM 0 HB ILE C 3 8.884 4.841 6.967 1.00 0.00 H new ATOM 0 HG12 ILE C 3 6.733 4.850 8.574 1.00 0.00 H new ATOM 0 HG13 ILE C 3 6.325 3.385 7.704 1.00 0.00 H new ATOM 0 HG21 ILE C 3 7.008 6.524 7.132 1.00 0.00 H new ATOM 0 HG22 ILE C 3 7.501 6.253 5.443 1.00 0.00 H new ATOM 0 HG23 ILE C 3 6.020 5.492 6.070 1.00 0.00 H new ATOM 0 HD11 ILE C 3 7.571 2.863 9.763 1.00 0.00 H new ATOM 0 HD12 ILE C 3 8.512 2.389 8.329 1.00 0.00 H new ATOM 0 HD13 ILE C 3 8.926 3.877 9.213 1.00 0.00 H new ATOM 1662 N LEU C 4 7.518 4.717 3.577 1.00 0.00 N ATOM 1663 CA LEU C 4 7.786 5.414 2.336 1.00 0.00 C ATOM 1664 C LEU C 4 6.802 6.570 2.210 1.00 0.00 C ATOM 1665 O LEU C 4 5.731 6.553 2.820 1.00 0.00 O ATOM 1666 CB LEU C 4 7.628 4.450 1.158 1.00 0.00 C ATOM 1667 CG LEU C 4 8.685 3.344 1.133 1.00 0.00 C ATOM 1668 CD1 LEU C 4 8.397 2.416 -0.040 1.00 0.00 C ATOM 1669 CD2 LEU C 4 10.088 3.917 0.935 1.00 0.00 C ATOM 0 H LEU C 4 6.526 4.697 3.813 1.00 0.00 H new ATOM 0 HA LEU C 4 8.806 5.799 2.331 1.00 0.00 H new ATOM 0 HB2 LEU C 4 6.638 3.996 1.200 1.00 0.00 H new ATOM 0 HB3 LEU C 4 7.681 5.014 0.227 1.00 0.00 H new ATOM 0 HG LEU C 4 8.644 2.817 2.086 1.00 0.00 H new ATOM 0 HD11 LEU C 4 9.144 1.623 -0.068 1.00 0.00 H new ATOM 0 HD12 LEU C 4 7.406 1.977 0.078 1.00 0.00 H new ATOM 0 HD13 LEU C 4 8.434 2.983 -0.970 1.00 0.00 H new ATOM 0 HD21 LEU C 4 10.814 3.104 0.922 1.00 0.00 H new ATOM 0 HD22 LEU C 4 10.130 4.457 -0.011 1.00 0.00 H new ATOM 0 HD23 LEU C 4 10.321 4.599 1.753 1.00 0.00 H new ATOM 1681 N THR C 5 7.167 7.573 1.409 1.00 0.00 N ATOM 1682 CA THR C 5 6.328 8.733 1.173 1.00 0.00 C ATOM 1683 C THR C 5 6.230 8.953 -0.330 1.00 0.00 C ATOM 1684 O THR C 5 7.241 8.909 -1.029 1.00 0.00 O ATOM 1685 CB THR C 5 6.918 9.955 1.879 1.00 0.00 C ATOM 1686 OG1 THR C 5 7.011 9.710 3.265 1.00 0.00 O ATOM 1687 CG2 THR C 5 6.032 11.182 1.680 1.00 0.00 C ATOM 0 H THR C 5 8.055 7.597 0.908 1.00 0.00 H new ATOM 0 HA THR C 5 5.328 8.573 1.577 1.00 0.00 H new ATOM 0 HB THR C 5 7.903 10.140 1.451 1.00 0.00 H new ATOM 0 HG1 THR C 5 7.391 10.495 3.711 1.00 0.00 H new ATOM 0 HG21 THR C 5 6.474 12.037 2.192 1.00 0.00 H new ATOM 0 HG22 THR C 5 5.947 11.401 0.616 1.00 0.00 H new ATOM 0 HG23 THR C 5 5.041 10.986 2.090 1.00 0.00 H new ATOM 1695 N ARG C 6 5.010 9.185 -0.825 1.00 0.00 N ATOM 1696 CA ARG C 6 4.742 9.255 -2.256 1.00 0.00 C ATOM 1697 C ARG C 6 3.690 10.299 -2.577 1.00 0.00 C ATOM 1698 O ARG C 6 3.189 10.976 -1.683 1.00 0.00 O ATOM 1699 CB ARG C 6 4.254 7.898 -2.755 1.00 0.00 C ATOM 1700 CG ARG C 6 5.152 6.767 -2.278 1.00 0.00 C ATOM 1701 CD ARG C 6 4.708 5.487 -2.964 1.00 0.00 C ATOM 1702 NE ARG C 6 3.259 5.266 -2.858 1.00 0.00 N ATOM 1703 CZ ARG C 6 2.666 4.463 -1.967 1.00 0.00 C ATOM 1704 NH1 ARG C 6 3.371 3.857 -1.017 1.00 0.00 N ATOM 1705 NH2 ARG C 6 1.353 4.266 -2.022 1.00 0.00 N ATOM 0 H ARG C 6 4.185 9.329 -0.242 1.00 0.00 H new ATOM 0 HA ARG C 6 5.671 9.534 -2.752 1.00 0.00 H new ATOM 0 HB2 ARG C 6 3.236 7.726 -2.405 1.00 0.00 H new ATOM 0 HB3 ARG C 6 4.221 7.901 -3.844 1.00 0.00 H new ATOM 0 HG2 ARG C 6 6.194 6.983 -2.514 1.00 0.00 H new ATOM 0 HG3 ARG C 6 5.086 6.660 -1.195 1.00 0.00 H new ATOM 0 HD2 ARG C 6 4.991 5.525 -4.016 1.00 0.00 H new ATOM 0 HD3 ARG C 6 5.235 4.641 -2.523 1.00 0.00 H new ATOM 0 HE ARG C 6 2.658 5.764 -3.515 1.00 0.00 H new ATOM 0 HH11 ARG C 6 4.379 4.001 -0.960 1.00 0.00 H new ATOM 0 HH12 ARG C 6 2.904 3.248 -0.345 1.00 0.00 H new ATOM 0 HH21 ARG C 6 0.798 4.727 -2.743 1.00 0.00 H new ATOM 0 HH22 ARG C 6 0.900 3.654 -1.343 1.00 0.00 H new ATOM 1719 N LYS C 7 3.365 10.410 -3.858 1.00 0.00 N ATOM 1720 CA LYS C 7 2.364 11.343 -4.337 1.00 0.00 C ATOM 1721 C LYS C 7 1.321 10.600 -5.154 1.00 0.00 C ATOM 1722 O LYS C 7 1.579 9.495 -5.626 1.00 0.00 O ATOM 1723 CB LYS C 7 3.035 12.416 -5.185 1.00 0.00 C ATOM 1724 CG LYS C 7 4.096 13.174 -4.388 1.00 0.00 C ATOM 1725 CD LYS C 7 4.473 14.441 -5.154 1.00 0.00 C ATOM 1726 CE LYS C 7 3.434 15.539 -4.929 1.00 0.00 C ATOM 1727 NZ LYS C 7 3.830 16.784 -5.608 1.00 0.00 N ATOM 0 H LYS C 7 3.793 9.850 -4.595 1.00 0.00 H new ATOM 0 HA LYS C 7 1.871 11.818 -3.489 1.00 0.00 H new ATOM 0 HB2 LYS C 7 3.495 11.956 -6.060 1.00 0.00 H new ATOM 0 HB3 LYS C 7 2.283 13.116 -5.551 1.00 0.00 H new ATOM 0 HG2 LYS C 7 3.715 13.430 -3.399 1.00 0.00 H new ATOM 0 HG3 LYS C 7 4.975 12.547 -4.238 1.00 0.00 H new ATOM 0 HD2 LYS C 7 5.453 14.790 -4.830 1.00 0.00 H new ATOM 0 HD3 LYS C 7 4.550 14.219 -6.218 1.00 0.00 H new ATOM 0 HE2 LYS C 7 2.464 15.209 -5.302 1.00 0.00 H new ATOM 0 HE3 LYS C 7 3.319 15.723 -3.861 1.00 0.00 H new ATOM 0 HZ1 LYS C 7 3.109 17.515 -5.441 1.00 0.00 H new ATOM 0 HZ2 LYS C 7 4.745 17.108 -5.234 1.00 0.00 H new ATOM 0 HZ3 LYS C 7 3.916 16.610 -6.630 1.00 0.00 H new ATOM 1741 N VAL C 8 0.144 11.203 -5.316 1.00 0.00 N ATOM 1742 CA VAL C 8 -0.918 10.511 -6.032 1.00 0.00 C ATOM 1743 C VAL C 8 -0.496 10.223 -7.469 1.00 0.00 C ATOM 1744 O VAL C 8 -0.160 11.128 -8.228 1.00 0.00 O ATOM 1745 CB VAL C 8 -2.252 11.262 -5.947 1.00 0.00 C ATOM 1746 CG1 VAL C 8 -2.682 11.334 -4.483 1.00 0.00 C ATOM 1747 CG2 VAL C 8 -2.225 12.681 -6.505 1.00 0.00 C ATOM 0 H VAL C 8 -0.091 12.135 -4.974 1.00 0.00 H new ATOM 0 HA VAL C 8 -1.086 9.551 -5.544 1.00 0.00 H new ATOM 0 HB VAL C 8 -2.951 10.700 -6.566 1.00 0.00 H new ATOM 0 HG11 VAL C 8 -3.630 11.866 -4.408 1.00 0.00 H new ATOM 0 HG12 VAL C 8 -2.800 10.325 -4.088 1.00 0.00 H new ATOM 0 HG13 VAL C 8 -1.923 11.862 -3.906 1.00 0.00 H new ATOM 0 HG21 VAL C 8 -3.212 13.132 -6.401 1.00 0.00 H new ATOM 0 HG22 VAL C 8 -1.495 13.275 -5.954 1.00 0.00 H new ATOM 0 HG23 VAL C 8 -1.948 12.652 -7.559 1.00 0.00 H new ATOM 1757 N GLY C 9 -0.520 8.935 -7.826 1.00 0.00 N ATOM 1758 CA GLY C 9 -0.139 8.459 -9.147 1.00 0.00 C ATOM 1759 C GLY C 9 1.122 7.591 -9.120 1.00 0.00 C ATOM 1760 O GLY C 9 1.389 6.878 -10.084 1.00 0.00 O ATOM 0 H GLY C 9 -0.809 8.189 -7.193 1.00 0.00 H new ATOM 0 HA2 GLY C 9 -0.962 7.885 -9.573 1.00 0.00 H new ATOM 0 HA3 GLY C 9 0.027 9.314 -9.803 1.00 0.00 H new ATOM 1764 N GLU C 10 1.902 7.639 -8.035 1.00 0.00 N ATOM 1765 CA GLU C 10 3.120 6.841 -7.921 1.00 0.00 C ATOM 1766 C GLU C 10 2.806 5.385 -7.582 1.00 0.00 C ATOM 1767 O GLU C 10 1.667 5.031 -7.275 1.00 0.00 O ATOM 1768 CB GLU C 10 4.041 7.417 -6.845 1.00 0.00 C ATOM 1769 CG GLU C 10 4.530 8.815 -7.224 1.00 0.00 C ATOM 1770 CD GLU C 10 5.781 9.193 -6.434 1.00 0.00 C ATOM 1771 OE1 GLU C 10 5.618 9.733 -5.322 1.00 0.00 O ATOM 1772 OE2 GLU C 10 6.887 8.930 -6.954 1.00 0.00 O ATOM 0 H GLU C 10 1.708 8.225 -7.223 1.00 0.00 H new ATOM 0 HA GLU C 10 3.619 6.875 -8.889 1.00 0.00 H new ATOM 0 HB2 GLU C 10 3.510 7.460 -5.894 1.00 0.00 H new ATOM 0 HB3 GLU C 10 4.896 6.756 -6.703 1.00 0.00 H new ATOM 0 HG2 GLU C 10 4.746 8.851 -8.292 1.00 0.00 H new ATOM 0 HG3 GLU C 10 3.742 9.543 -7.033 1.00 0.00 H new ATOM 1779 N SER C 11 3.839 4.533 -7.640 1.00 0.00 N ATOM 1780 CA SER C 11 3.715 3.105 -7.391 1.00 0.00 C ATOM 1781 C SER C 11 4.901 2.592 -6.582 1.00 0.00 C ATOM 1782 O SER C 11 5.905 3.288 -6.440 1.00 0.00 O ATOM 1783 CB SER C 11 3.630 2.353 -8.722 1.00 0.00 C ATOM 1784 OG SER C 11 2.489 2.755 -9.447 1.00 0.00 O ATOM 0 H SER C 11 4.790 4.827 -7.864 1.00 0.00 H new ATOM 0 HA SER C 11 2.805 2.932 -6.817 1.00 0.00 H new ATOM 0 HB2 SER C 11 4.527 2.543 -9.311 1.00 0.00 H new ATOM 0 HB3 SER C 11 3.591 1.279 -8.538 1.00 0.00 H new ATOM 0 HG SER C 11 2.451 2.266 -10.295 1.00 0.00 H new ATOM 1790 N ILE C 12 4.772 1.368 -6.059 1.00 0.00 N ATOM 1791 CA ILE C 12 5.739 0.713 -5.184 1.00 0.00 C ATOM 1792 C ILE C 12 5.731 -0.783 -5.492 1.00 0.00 C ATOM 1793 O ILE C 12 4.779 -1.284 -6.087 1.00 0.00 O ATOM 1794 CB ILE C 12 5.351 0.980 -3.718 1.00 0.00 C ATOM 1795 CG1 ILE C 12 5.463 2.471 -3.382 1.00 0.00 C ATOM 1796 CG2 ILE C 12 6.191 0.182 -2.714 1.00 0.00 C ATOM 1797 CD1 ILE C 12 6.879 3.028 -3.520 1.00 0.00 C ATOM 0 H ILE C 12 3.955 0.786 -6.244 1.00 0.00 H new ATOM 0 HA ILE C 12 6.743 1.103 -5.349 1.00 0.00 H new ATOM 0 HB ILE C 12 4.316 0.649 -3.626 1.00 0.00 H new ATOM 0 HG12 ILE C 12 4.796 3.033 -4.036 1.00 0.00 H new ATOM 0 HG13 ILE C 12 5.117 2.631 -2.361 1.00 0.00 H new ATOM 0 HG21 ILE C 12 5.866 0.417 -1.700 1.00 0.00 H new ATOM 0 HG22 ILE C 12 6.062 -0.885 -2.898 1.00 0.00 H new ATOM 0 HG23 ILE C 12 7.242 0.446 -2.828 1.00 0.00 H new ATOM 0 HD11 ILE C 12 6.879 4.088 -3.266 1.00 0.00 H new ATOM 0 HD12 ILE C 12 7.548 2.493 -2.846 1.00 0.00 H new ATOM 0 HD13 ILE C 12 7.221 2.901 -4.547 1.00 0.00 H new ATOM 1809 N ASN C 13 6.778 -1.506 -5.098 1.00 0.00 N ATOM 1810 CA ASN C 13 6.908 -2.919 -5.420 1.00 0.00 C ATOM 1811 C ASN C 13 7.100 -3.767 -4.167 1.00 0.00 C ATOM 1812 O ASN C 13 7.687 -3.319 -3.181 1.00 0.00 O ATOM 1813 CB ASN C 13 8.095 -3.096 -6.368 1.00 0.00 C ATOM 1814 CG ASN C 13 7.860 -2.402 -7.699 1.00 0.00 C ATOM 1815 OD1 ASN C 13 8.463 -1.373 -7.985 1.00 0.00 O ATOM 1816 ND2 ASN C 13 6.982 -2.960 -8.527 1.00 0.00 N ATOM 0 H ASN C 13 7.552 -1.129 -4.551 1.00 0.00 H new ATOM 0 HA ASN C 13 5.989 -3.258 -5.898 1.00 0.00 H new ATOM 0 HB2 ASN C 13 8.995 -2.695 -5.903 1.00 0.00 H new ATOM 0 HB3 ASN C 13 8.270 -4.158 -6.538 1.00 0.00 H new ATOM 0 HD21 ASN C 13 6.792 -2.532 -9.433 1.00 0.00 H new ATOM 0 HD22 ASN C 13 6.499 -3.816 -8.256 1.00 0.00 H new ATOM 1823 N ILE C 14 6.593 -5.002 -4.231 1.00 0.00 N ATOM 1824 CA ILE C 14 6.693 -5.986 -3.160 1.00 0.00 C ATOM 1825 C ILE C 14 6.989 -7.348 -3.778 1.00 0.00 C ATOM 1826 O ILE C 14 6.375 -7.725 -4.776 1.00 0.00 O ATOM 1827 CB ILE C 14 5.382 -6.042 -2.362 1.00 0.00 C ATOM 1828 CG1 ILE C 14 5.054 -4.664 -1.767 1.00 0.00 C ATOM 1829 CG2 ILE C 14 5.490 -7.105 -1.261 1.00 0.00 C ATOM 1830 CD1 ILE C 14 3.735 -4.662 -0.988 1.00 0.00 C ATOM 0 H ILE C 14 6.091 -5.349 -5.049 1.00 0.00 H new ATOM 0 HA ILE C 14 7.495 -5.705 -2.477 1.00 0.00 H new ATOM 0 HB ILE C 14 4.568 -6.318 -3.033 1.00 0.00 H new ATOM 0 HG12 ILE C 14 5.864 -4.355 -1.106 1.00 0.00 H new ATOM 0 HG13 ILE C 14 5.000 -3.929 -2.570 1.00 0.00 H new ATOM 0 HG21 ILE C 14 4.558 -7.141 -0.697 1.00 0.00 H new ATOM 0 HG22 ILE C 14 5.679 -8.079 -1.713 1.00 0.00 H new ATOM 0 HG23 ILE C 14 6.310 -6.851 -0.589 1.00 0.00 H new ATOM 0 HD11 ILE C 14 3.550 -3.665 -0.588 1.00 0.00 H new ATOM 0 HD12 ILE C 14 2.919 -4.943 -1.654 1.00 0.00 H new ATOM 0 HD13 ILE C 14 3.796 -5.376 -0.167 1.00 0.00 H new ATOM 1842 N GLY C 15 7.932 -8.080 -3.186 1.00 0.00 N ATOM 1843 CA GLY C 15 8.336 -9.376 -3.700 1.00 0.00 C ATOM 1844 C GLY C 15 8.739 -9.261 -5.168 1.00 0.00 C ATOM 1845 O GLY C 15 9.330 -8.265 -5.578 1.00 0.00 O ATOM 0 H GLY C 15 8.430 -7.790 -2.344 1.00 0.00 H new ATOM 0 HA2 GLY C 15 9.171 -9.762 -3.116 1.00 0.00 H new ATOM 0 HA3 GLY C 15 7.517 -10.088 -3.595 1.00 0.00 H new ATOM 1849 N ASP C 16 8.414 -10.291 -5.952 1.00 0.00 N ATOM 1850 CA ASP C 16 8.685 -10.323 -7.383 1.00 0.00 C ATOM 1851 C ASP C 16 7.387 -10.587 -8.149 1.00 0.00 C ATOM 1852 O ASP C 16 7.421 -10.933 -9.327 1.00 0.00 O ATOM 1853 CB ASP C 16 9.750 -11.380 -7.686 1.00 0.00 C ATOM 1854 CG ASP C 16 11.055 -11.087 -6.951 1.00 0.00 C ATOM 1855 OD1 ASP C 16 11.818 -10.227 -7.442 1.00 0.00 O ATOM 1856 OD2 ASP C 16 11.278 -11.733 -5.900 1.00 0.00 O ATOM 0 H ASP C 16 7.952 -11.131 -5.605 1.00 0.00 H new ATOM 0 HA ASP C 16 9.073 -9.358 -7.709 1.00 0.00 H new ATOM 0 HB2 ASP C 16 9.381 -12.364 -7.396 1.00 0.00 H new ATOM 0 HB3 ASP C 16 9.936 -11.413 -8.760 1.00 0.00 H new ATOM 1861 N ASP C 17 6.242 -10.421 -7.474 1.00 0.00 N ATOM 1862 CA ASP C 17 4.934 -10.740 -8.036 1.00 0.00 C ATOM 1863 C ASP C 17 3.868 -9.713 -7.646 1.00 0.00 C ATOM 1864 O ASP C 17 2.707 -9.897 -8.008 1.00 0.00 O ATOM 1865 CB ASP C 17 4.497 -12.127 -7.561 1.00 0.00 C ATOM 1866 CG ASP C 17 5.477 -13.218 -7.990 1.00 0.00 C ATOM 1867 OD1 ASP C 17 5.374 -13.664 -9.154 1.00 0.00 O ATOM 1868 OD2 ASP C 17 6.319 -13.602 -7.148 1.00 0.00 O ATOM 0 H ASP C 17 6.202 -10.060 -6.521 1.00 0.00 H new ATOM 0 HA ASP C 17 5.032 -10.721 -9.121 1.00 0.00 H new ATOM 0 HB2 ASP C 17 4.409 -12.126 -6.475 1.00 0.00 H new ATOM 0 HB3 ASP C 17 3.508 -12.351 -7.961 1.00 0.00 H new ATOM 1873 N ILE C 18 4.216 -8.639 -6.925 1.00 0.00 N ATOM 1874 CA ILE C 18 3.216 -7.662 -6.503 1.00 0.00 C ATOM 1875 C ILE C 18 3.697 -6.232 -6.743 1.00 0.00 C ATOM 1876 O ILE C 18 4.888 -5.938 -6.664 1.00 0.00 O ATOM 1877 CB ILE C 18 2.867 -7.859 -5.018 1.00 0.00 C ATOM 1878 CG1 ILE C 18 2.406 -9.286 -4.699 1.00 0.00 C ATOM 1879 CG2 ILE C 18 1.755 -6.893 -4.610 1.00 0.00 C ATOM 1880 CD1 ILE C 18 3.582 -10.137 -4.224 1.00 0.00 C ATOM 0 H ILE C 18 5.169 -8.430 -6.628 1.00 0.00 H new ATOM 0 HA ILE C 18 2.321 -7.823 -7.104 1.00 0.00 H new ATOM 0 HB ILE C 18 3.782 -7.664 -4.458 1.00 0.00 H new ATOM 0 HG12 ILE C 18 1.634 -9.261 -3.930 1.00 0.00 H new ATOM 0 HG13 ILE C 18 1.959 -9.736 -5.585 1.00 0.00 H new ATOM 0 HG21 ILE C 18 1.514 -7.039 -3.557 1.00 0.00 H new ATOM 0 HG22 ILE C 18 2.088 -5.867 -4.767 1.00 0.00 H new ATOM 0 HG23 ILE C 18 0.868 -7.083 -5.215 1.00 0.00 H new ATOM 0 HD11 ILE C 18 3.235 -11.146 -4.003 1.00 0.00 H new ATOM 0 HD12 ILE C 18 4.341 -10.178 -5.005 1.00 0.00 H new ATOM 0 HD13 ILE C 18 4.011 -9.695 -3.325 1.00 0.00 H new ATOM 1892 N THR C 19 2.741 -5.346 -7.038 1.00 0.00 N ATOM 1893 CA THR C 19 2.973 -3.920 -7.212 1.00 0.00 C ATOM 1894 C THR C 19 1.804 -3.176 -6.576 1.00 0.00 C ATOM 1895 O THR C 19 0.701 -3.713 -6.484 1.00 0.00 O ATOM 1896 CB THR C 19 3.104 -3.601 -8.710 1.00 0.00 C ATOM 1897 OG1 THR C 19 4.184 -4.325 -9.259 1.00 0.00 O ATOM 1898 CG2 THR C 19 3.352 -2.117 -8.973 1.00 0.00 C ATOM 0 H THR C 19 1.764 -5.612 -7.164 1.00 0.00 H new ATOM 0 HA THR C 19 3.899 -3.607 -6.730 1.00 0.00 H new ATOM 0 HB THR C 19 2.159 -3.883 -9.174 1.00 0.00 H new ATOM 0 HG1 THR C 19 4.263 -4.120 -10.214 1.00 0.00 H new ATOM 0 HG21 THR C 19 3.437 -1.947 -10.046 1.00 0.00 H new ATOM 0 HG22 THR C 19 2.521 -1.533 -8.578 1.00 0.00 H new ATOM 0 HG23 THR C 19 4.276 -1.810 -8.483 1.00 0.00 H new ATOM 1906 N ILE C 20 2.043 -1.939 -6.136 1.00 0.00 N ATOM 1907 CA ILE C 20 1.065 -1.119 -5.431 1.00 0.00 C ATOM 1908 C ILE C 20 1.035 0.266 -6.074 1.00 0.00 C ATOM 1909 O ILE C 20 2.053 0.715 -6.589 1.00 0.00 O ATOM 1910 CB ILE C 20 1.473 -1.009 -3.953 1.00 0.00 C ATOM 1911 CG1 ILE C 20 1.648 -2.385 -3.297 1.00 0.00 C ATOM 1912 CG2 ILE C 20 0.453 -0.186 -3.164 1.00 0.00 C ATOM 1913 CD1 ILE C 20 0.337 -3.163 -3.178 1.00 0.00 C ATOM 0 H ILE C 20 2.941 -1.473 -6.264 1.00 0.00 H new ATOM 0 HA ILE C 20 0.074 -1.569 -5.493 1.00 0.00 H new ATOM 0 HB ILE C 20 2.437 -0.502 -3.932 1.00 0.00 H new ATOM 0 HG12 ILE C 20 2.360 -2.971 -3.879 1.00 0.00 H new ATOM 0 HG13 ILE C 20 2.078 -2.256 -2.304 1.00 0.00 H new ATOM 0 HG21 ILE C 20 0.765 -0.123 -2.121 1.00 0.00 H new ATOM 0 HG22 ILE C 20 0.391 0.817 -3.585 1.00 0.00 H new ATOM 0 HG23 ILE C 20 -0.524 -0.665 -3.222 1.00 0.00 H new ATOM 0 HD11 ILE C 20 0.528 -4.127 -2.706 1.00 0.00 H new ATOM 0 HD12 ILE C 20 -0.369 -2.596 -2.572 1.00 0.00 H new ATOM 0 HD13 ILE C 20 -0.083 -3.322 -4.171 1.00 0.00 H new ATOM 1925 N THR C 21 -0.121 0.937 -6.046 1.00 0.00 N ATOM 1926 CA THR C 21 -0.271 2.251 -6.657 1.00 0.00 C ATOM 1927 C THR C 21 -1.250 3.113 -5.869 1.00 0.00 C ATOM 1928 O THR C 21 -2.351 2.667 -5.553 1.00 0.00 O ATOM 1929 CB THR C 21 -0.793 2.080 -8.089 1.00 0.00 C ATOM 1930 OG1 THR C 21 0.054 1.221 -8.819 1.00 0.00 O ATOM 1931 CG2 THR C 21 -0.868 3.418 -8.825 1.00 0.00 C ATOM 0 H THR C 21 -0.969 0.584 -5.602 1.00 0.00 H new ATOM 0 HA THR C 21 0.700 2.745 -6.660 1.00 0.00 H new ATOM 0 HB THR C 21 -1.795 1.656 -8.016 1.00 0.00 H new ATOM 0 HG1 THR C 21 0.893 1.685 -9.023 1.00 0.00 H new ATOM 0 HG21 THR C 21 -1.242 3.257 -9.836 1.00 0.00 H new ATOM 0 HG22 THR C 21 -1.541 4.089 -8.292 1.00 0.00 H new ATOM 0 HG23 THR C 21 0.126 3.863 -8.873 1.00 0.00 H new ATOM 1939 N ILE C 22 -0.856 4.350 -5.549 1.00 0.00 N ATOM 1940 CA ILE C 22 -1.726 5.322 -4.907 1.00 0.00 C ATOM 1941 C ILE C 22 -2.525 6.008 -6.013 1.00 0.00 C ATOM 1942 O ILE C 22 -2.037 6.942 -6.652 1.00 0.00 O ATOM 1943 CB ILE C 22 -0.893 6.303 -4.055 1.00 0.00 C ATOM 1944 CG1 ILE C 22 -1.684 7.542 -3.626 1.00 0.00 C ATOM 1945 CG2 ILE C 22 0.381 6.765 -4.767 1.00 0.00 C ATOM 1946 CD1 ILE C 22 -2.917 7.160 -2.817 1.00 0.00 C ATOM 0 H ILE C 22 0.084 4.701 -5.733 1.00 0.00 H new ATOM 0 HA ILE C 22 -2.422 4.851 -4.213 1.00 0.00 H new ATOM 0 HB ILE C 22 -0.623 5.731 -3.167 1.00 0.00 H new ATOM 0 HG12 ILE C 22 -1.045 8.196 -3.032 1.00 0.00 H new ATOM 0 HG13 ILE C 22 -1.986 8.107 -4.508 1.00 0.00 H new ATOM 0 HG21 ILE C 22 0.929 7.453 -4.123 1.00 0.00 H new ATOM 0 HG22 ILE C 22 1.007 5.901 -4.990 1.00 0.00 H new ATOM 0 HG23 ILE C 22 0.116 7.270 -5.696 1.00 0.00 H new ATOM 0 HD11 ILE C 22 -3.456 8.062 -2.528 1.00 0.00 H new ATOM 0 HD12 ILE C 22 -3.567 6.527 -3.421 1.00 0.00 H new ATOM 0 HD13 ILE C 22 -2.611 6.618 -1.922 1.00 0.00 H new ATOM 1958 N LEU C 23 -3.758 5.552 -6.259 1.00 0.00 N ATOM 1959 CA LEU C 23 -4.550 6.064 -7.370 1.00 0.00 C ATOM 1960 C LEU C 23 -4.941 7.518 -7.102 1.00 0.00 C ATOM 1961 O LEU C 23 -5.118 8.297 -8.038 1.00 0.00 O ATOM 1962 CB LEU C 23 -5.806 5.210 -7.593 1.00 0.00 C ATOM 1963 CG LEU C 23 -5.627 3.730 -7.242 1.00 0.00 C ATOM 1964 CD1 LEU C 23 -6.984 3.048 -7.357 1.00 0.00 C ATOM 1965 CD2 LEU C 23 -4.639 3.042 -8.180 1.00 0.00 C ATOM 0 H LEU C 23 -4.223 4.833 -5.704 1.00 0.00 H new ATOM 0 HA LEU C 23 -3.944 6.015 -8.275 1.00 0.00 H new ATOM 0 HB2 LEU C 23 -6.621 5.618 -6.995 1.00 0.00 H new ATOM 0 HB3 LEU C 23 -6.106 5.291 -8.638 1.00 0.00 H new ATOM 0 HG LEU C 23 -5.230 3.655 -6.230 1.00 0.00 H new ATOM 0 HD11 LEU C 23 -6.882 1.991 -7.111 1.00 0.00 H new ATOM 0 HD12 LEU C 23 -7.686 3.515 -6.666 1.00 0.00 H new ATOM 0 HD13 LEU C 23 -7.357 3.149 -8.376 1.00 0.00 H new ATOM 0 HD21 LEU C 23 -4.539 1.994 -7.898 1.00 0.00 H new ATOM 0 HD22 LEU C 23 -5.003 3.109 -9.205 1.00 0.00 H new ATOM 0 HD23 LEU C 23 -3.668 3.531 -8.107 1.00 0.00 H new ATOM 1977 N GLY C 24 -5.073 7.873 -5.821 1.00 0.00 N ATOM 1978 CA GLY C 24 -5.345 9.240 -5.409 1.00 0.00 C ATOM 1979 C GLY C 24 -5.958 9.289 -4.015 1.00 0.00 C ATOM 1980 O GLY C 24 -5.985 8.278 -3.313 1.00 0.00 O ATOM 0 H GLY C 24 -4.993 7.216 -5.045 1.00 0.00 H new ATOM 0 HA2 GLY C 24 -4.420 9.816 -5.422 1.00 0.00 H new ATOM 0 HA3 GLY C 24 -6.022 9.709 -6.123 1.00 0.00 H new ATOM 1984 N VAL C 25 -6.452 10.461 -3.617 1.00 0.00 N ATOM 1985 CA VAL C 25 -7.122 10.627 -2.333 1.00 0.00 C ATOM 1986 C VAL C 25 -8.478 11.296 -2.533 1.00 0.00 C ATOM 1987 O VAL C 25 -8.796 11.766 -3.625 1.00 0.00 O ATOM 1988 CB VAL C 25 -6.252 11.397 -1.326 1.00 0.00 C ATOM 1989 CG1 VAL C 25 -4.799 10.926 -1.350 1.00 0.00 C ATOM 1990 CG2 VAL C 25 -6.298 12.903 -1.550 1.00 0.00 C ATOM 0 H VAL C 25 -6.399 11.315 -4.173 1.00 0.00 H new ATOM 0 HA VAL C 25 -7.285 9.638 -1.905 1.00 0.00 H new ATOM 0 HB VAL C 25 -6.678 11.182 -0.346 1.00 0.00 H new ATOM 0 HG11 VAL C 25 -4.220 11.496 -0.624 1.00 0.00 H new ATOM 0 HG12 VAL C 25 -4.756 9.867 -1.097 1.00 0.00 H new ATOM 0 HG13 VAL C 25 -4.383 11.079 -2.346 1.00 0.00 H new ATOM 0 HG21 VAL C 25 -5.667 13.400 -0.813 1.00 0.00 H new ATOM 0 HG22 VAL C 25 -5.936 13.133 -2.552 1.00 0.00 H new ATOM 0 HG23 VAL C 25 -7.324 13.255 -1.446 1.00 0.00 H new ATOM 2000 N SER C 26 -9.268 11.335 -1.464 1.00 0.00 N ATOM 2001 CA SER C 26 -10.615 11.881 -1.463 1.00 0.00 C ATOM 2002 C SER C 26 -10.840 12.588 -0.134 1.00 0.00 C ATOM 2003 O SER C 26 -11.867 12.407 0.520 1.00 0.00 O ATOM 2004 CB SER C 26 -11.609 10.735 -1.656 1.00 0.00 C ATOM 2005 OG SER C 26 -11.751 10.418 -3.024 1.00 0.00 O ATOM 0 H SER C 26 -8.979 10.978 -0.553 1.00 0.00 H new ATOM 0 HA SER C 26 -10.755 12.597 -2.272 1.00 0.00 H new ATOM 0 HB2 SER C 26 -11.268 9.856 -1.108 1.00 0.00 H new ATOM 0 HB3 SER C 26 -12.577 11.014 -1.241 1.00 0.00 H new ATOM 0 HG SER C 26 -10.959 10.722 -3.514 1.00 0.00 H new ATOM 2011 N GLY C 27 -9.858 13.398 0.262 1.00 0.00 N ATOM 2012 CA GLY C 27 -9.807 14.022 1.568 1.00 0.00 C ATOM 2013 C GLY C 27 -8.750 13.307 2.396 1.00 0.00 C ATOM 2014 O GLY C 27 -7.720 12.903 1.856 1.00 0.00 O ATOM 0 H GLY C 27 -9.065 13.638 -0.333 1.00 0.00 H new ATOM 0 HA2 GLY C 27 -9.564 15.081 1.474 1.00 0.00 H new ATOM 0 HA3 GLY C 27 -10.779 13.960 2.057 1.00 0.00 H new ATOM 2018 N GLN C 28 -8.989 13.145 3.699 1.00 0.00 N ATOM 2019 CA GLN C 28 -8.090 12.366 4.531 1.00 0.00 C ATOM 2020 C GLN C 28 -8.244 10.865 4.255 1.00 0.00 C ATOM 2021 O GLN C 28 -7.440 10.066 4.737 1.00 0.00 O ATOM 2022 CB GLN C 28 -8.313 12.708 6.004 1.00 0.00 C ATOM 2023 CG GLN C 28 -7.082 13.442 6.551 1.00 0.00 C ATOM 2024 CD GLN C 28 -6.860 14.780 5.849 1.00 0.00 C ATOM 2025 OE1 GLN C 28 -7.435 15.790 6.236 1.00 0.00 O ATOM 2026 NE2 GLN C 28 -6.023 14.802 4.810 1.00 0.00 N ATOM 0 H GLN C 28 -9.790 13.541 4.190 1.00 0.00 H new ATOM 0 HA GLN C 28 -7.061 12.625 4.281 1.00 0.00 H new ATOM 0 HB2 GLN C 28 -9.200 13.332 6.113 1.00 0.00 H new ATOM 0 HB3 GLN C 28 -8.491 11.798 6.577 1.00 0.00 H new ATOM 0 HG2 GLN C 28 -7.204 13.609 7.621 1.00 0.00 H new ATOM 0 HG3 GLN C 28 -6.199 12.815 6.425 1.00 0.00 H new ATOM 0 HE21 GLN C 28 -5.559 13.944 4.511 1.00 0.00 H new ATOM 0 HE22 GLN C 28 -5.847 15.676 4.315 1.00 0.00 H new ATOM 2035 N GLN C 29 -9.268 10.476 3.483 1.00 0.00 N ATOM 2036 CA GLN C 29 -9.355 9.118 2.986 1.00 0.00 C ATOM 2037 C GLN C 29 -8.468 8.998 1.747 1.00 0.00 C ATOM 2038 O GLN C 29 -8.184 9.988 1.072 1.00 0.00 O ATOM 2039 CB GLN C 29 -10.804 8.691 2.712 1.00 0.00 C ATOM 2040 CG GLN C 29 -11.491 9.503 1.620 1.00 0.00 C ATOM 2041 CD GLN C 29 -12.760 8.800 1.148 1.00 0.00 C ATOM 2042 OE1 GLN C 29 -12.950 8.588 -0.047 1.00 0.00 O ATOM 2043 NE2 GLN C 29 -13.643 8.429 2.073 1.00 0.00 N ATOM 0 H GLN C 29 -10.035 11.084 3.197 1.00 0.00 H new ATOM 0 HA GLN C 29 -8.996 8.430 3.751 1.00 0.00 H new ATOM 0 HB2 GLN C 29 -10.815 7.638 2.430 1.00 0.00 H new ATOM 0 HB3 GLN C 29 -11.379 8.780 3.634 1.00 0.00 H new ATOM 0 HG2 GLN C 29 -11.737 10.495 1.997 1.00 0.00 H new ATOM 0 HG3 GLN C 29 -10.811 9.641 0.779 1.00 0.00 H new ATOM 0 HE21 GLN C 29 -13.459 8.618 3.058 1.00 0.00 H new ATOM 0 HE22 GLN C 29 -14.503 7.956 1.796 1.00 0.00 H new ATOM 2052 N VAL C 30 -8.036 7.777 1.445 1.00 0.00 N ATOM 2053 CA VAL C 30 -7.044 7.499 0.424 1.00 0.00 C ATOM 2054 C VAL C 30 -7.497 6.276 -0.364 1.00 0.00 C ATOM 2055 O VAL C 30 -8.164 5.403 0.187 1.00 0.00 O ATOM 2056 CB VAL C 30 -5.696 7.246 1.119 1.00 0.00 C ATOM 2057 CG1 VAL C 30 -4.592 6.910 0.122 1.00 0.00 C ATOM 2058 CG2 VAL C 30 -5.248 8.481 1.899 1.00 0.00 C ATOM 0 H VAL C 30 -8.376 6.939 1.916 1.00 0.00 H new ATOM 0 HA VAL C 30 -6.931 8.336 -0.265 1.00 0.00 H new ATOM 0 HB VAL C 30 -5.854 6.400 1.788 1.00 0.00 H new ATOM 0 HG11 VAL C 30 -3.658 6.739 0.657 1.00 0.00 H new ATOM 0 HG12 VAL C 30 -4.863 6.011 -0.431 1.00 0.00 H new ATOM 0 HG13 VAL C 30 -4.465 7.740 -0.574 1.00 0.00 H new ATOM 0 HG21 VAL C 30 -4.292 8.279 2.382 1.00 0.00 H new ATOM 0 HG22 VAL C 30 -5.138 9.323 1.216 1.00 0.00 H new ATOM 0 HG23 VAL C 30 -5.994 8.723 2.656 1.00 0.00 H new ATOM 2068 N ARG C 31 -7.147 6.210 -1.652 1.00 0.00 N ATOM 2069 CA ARG C 31 -7.575 5.118 -2.509 1.00 0.00 C ATOM 2070 C ARG C 31 -6.375 4.550 -3.248 1.00 0.00 C ATOM 2071 O ARG C 31 -5.629 5.276 -3.910 1.00 0.00 O ATOM 2072 CB ARG C 31 -8.676 5.616 -3.442 1.00 0.00 C ATOM 2073 CG ARG C 31 -9.428 4.449 -4.079 1.00 0.00 C ATOM 2074 CD ARG C 31 -10.765 4.927 -4.648 1.00 0.00 C ATOM 2075 NE ARG C 31 -11.703 5.281 -3.574 1.00 0.00 N ATOM 2076 CZ ARG C 31 -12.009 6.525 -3.194 1.00 0.00 C ATOM 2077 NH1 ARG C 31 -11.463 7.585 -3.788 1.00 0.00 N ATOM 2078 NH2 ARG C 31 -12.875 6.722 -2.208 1.00 0.00 N ATOM 0 H ARG C 31 -6.566 6.906 -2.119 1.00 0.00 H new ATOM 0 HA ARG C 31 -7.996 4.302 -1.921 1.00 0.00 H new ATOM 0 HB2 ARG C 31 -9.374 6.241 -2.885 1.00 0.00 H new ATOM 0 HB3 ARG C 31 -8.241 6.241 -4.222 1.00 0.00 H new ATOM 0 HG2 ARG C 31 -8.824 4.008 -4.872 1.00 0.00 H new ATOM 0 HG3 ARG C 31 -9.599 3.669 -3.337 1.00 0.00 H new ATOM 0 HD2 ARG C 31 -10.601 5.792 -5.291 1.00 0.00 H new ATOM 0 HD3 ARG C 31 -11.199 4.144 -5.270 1.00 0.00 H new ATOM 0 HE ARG C 31 -12.158 4.515 -3.078 1.00 0.00 H new ATOM 0 HH11 ARG C 31 -10.797 7.456 -4.549 1.00 0.00 H new ATOM 0 HH12 ARG C 31 -11.711 8.526 -3.481 1.00 0.00 H new ATOM 0 HH21 ARG C 31 -13.306 5.924 -1.741 1.00 0.00 H new ATOM 0 HH22 ARG C 31 -13.109 7.671 -1.917 1.00 0.00 H new ATOM 2092 N ILE C 32 -6.207 3.237 -3.111 1.00 0.00 N ATOM 2093 CA ILE C 32 -4.998 2.532 -3.505 1.00 0.00 C ATOM 2094 C ILE C 32 -5.374 1.306 -4.320 1.00 0.00 C ATOM 2095 O ILE C 32 -6.446 0.731 -4.126 1.00 0.00 O ATOM 2096 CB ILE C 32 -4.249 2.126 -2.224 1.00 0.00 C ATOM 2097 CG1 ILE C 32 -3.955 3.365 -1.361 1.00 0.00 C ATOM 2098 CG2 ILE C 32 -2.938 1.406 -2.549 1.00 0.00 C ATOM 2099 CD1 ILE C 32 -3.461 2.985 0.037 1.00 0.00 C ATOM 0 H ILE C 32 -6.922 2.626 -2.716 1.00 0.00 H new ATOM 0 HA ILE C 32 -4.358 3.166 -4.119 1.00 0.00 H new ATOM 0 HB ILE C 32 -4.891 1.441 -1.670 1.00 0.00 H new ATOM 0 HG12 ILE C 32 -3.205 3.982 -1.856 1.00 0.00 H new ATOM 0 HG13 ILE C 32 -4.858 3.969 -1.275 1.00 0.00 H new ATOM 0 HG21 ILE C 32 -2.433 1.133 -1.622 1.00 0.00 H new ATOM 0 HG22 ILE C 32 -3.151 0.506 -3.125 1.00 0.00 H new ATOM 0 HG23 ILE C 32 -2.295 2.066 -3.131 1.00 0.00 H new ATOM 0 HD11 ILE C 32 -3.266 3.890 0.612 1.00 0.00 H new ATOM 0 HD12 ILE C 32 -4.222 2.391 0.543 1.00 0.00 H new ATOM 0 HD13 ILE C 32 -2.543 2.403 -0.047 1.00 0.00 H new ATOM 2111 N GLY C 33 -4.494 0.903 -5.235 1.00 0.00 N ATOM 2112 CA GLY C 33 -4.697 -0.268 -6.067 1.00 0.00 C ATOM 2113 C GLY C 33 -3.558 -1.249 -5.856 1.00 0.00 C ATOM 2114 O GLY C 33 -2.478 -0.875 -5.398 1.00 0.00 O ATOM 0 H GLY C 33 -3.615 1.388 -5.416 1.00 0.00 H new ATOM 0 HA2 GLY C 33 -5.648 -0.741 -5.820 1.00 0.00 H new ATOM 0 HA3 GLY C 33 -4.749 0.024 -7.116 1.00 0.00 H new ATOM 2118 N ILE C 34 -3.815 -2.508 -6.196 1.00 0.00 N ATOM 2119 CA ILE C 34 -2.874 -3.591 -5.992 1.00 0.00 C ATOM 2120 C ILE C 34 -2.844 -4.414 -7.269 1.00 0.00 C ATOM 2121 O ILE C 34 -3.856 -4.543 -7.956 1.00 0.00 O ATOM 2122 CB ILE C 34 -3.306 -4.424 -4.780 1.00 0.00 C ATOM 2123 CG1 ILE C 34 -3.434 -3.529 -3.541 1.00 0.00 C ATOM 2124 CG2 ILE C 34 -2.299 -5.545 -4.509 1.00 0.00 C ATOM 2125 CD1 ILE C 34 -4.071 -4.268 -2.362 1.00 0.00 C ATOM 0 H ILE C 34 -4.692 -2.802 -6.625 1.00 0.00 H new ATOM 0 HA ILE C 34 -1.871 -3.219 -5.782 1.00 0.00 H new ATOM 0 HB ILE C 34 -4.275 -4.871 -5.000 1.00 0.00 H new ATOM 0 HG12 ILE C 34 -2.447 -3.168 -3.252 1.00 0.00 H new ATOM 0 HG13 ILE C 34 -4.035 -2.653 -3.787 1.00 0.00 H new ATOM 0 HG21 ILE C 34 -2.624 -6.125 -3.645 1.00 0.00 H new ATOM 0 HG22 ILE C 34 -2.237 -6.197 -5.381 1.00 0.00 H new ATOM 0 HG23 ILE C 34 -1.319 -5.113 -4.308 1.00 0.00 H new ATOM 0 HD11 ILE C 34 -4.142 -3.596 -1.507 1.00 0.00 H new ATOM 0 HD12 ILE C 34 -5.069 -4.607 -2.641 1.00 0.00 H new ATOM 0 HD13 ILE C 34 -3.457 -5.129 -2.097 1.00 0.00 H new ATOM 2137 N ASN C 35 -1.681 -4.972 -7.583 1.00 0.00 N ATOM 2138 CA ASN C 35 -1.476 -5.711 -8.810 1.00 0.00 C ATOM 2139 C ASN C 35 -0.697 -6.981 -8.495 1.00 0.00 C ATOM 2140 O ASN C 35 0.532 -6.975 -8.457 1.00 0.00 O ATOM 2141 CB ASN C 35 -0.746 -4.819 -9.811 1.00 0.00 C ATOM 2142 CG ASN C 35 -0.608 -5.474 -11.177 1.00 0.00 C ATOM 2143 OD1 ASN C 35 -1.162 -6.539 -11.431 1.00 0.00 O ATOM 2144 ND2 ASN C 35 0.135 -4.831 -12.076 1.00 0.00 N ATOM 0 H ASN C 35 -0.854 -4.921 -6.988 1.00 0.00 H new ATOM 0 HA ASN C 35 -2.426 -6.003 -9.257 1.00 0.00 H new ATOM 0 HB2 ASN C 35 -1.285 -3.877 -9.915 1.00 0.00 H new ATOM 0 HB3 ASN C 35 0.244 -4.578 -9.425 1.00 0.00 H new ATOM 0 HD21 ASN C 35 0.258 -5.222 -13.010 1.00 0.00 H new ATOM 0 HD22 ASN C 35 0.581 -3.947 -11.831 1.00 0.00 H new ATOM 2151 N ALA C 36 -1.435 -8.069 -8.268 1.00 0.00 N ATOM 2152 CA ALA C 36 -0.861 -9.350 -7.896 1.00 0.00 C ATOM 2153 C ALA C 36 -1.612 -10.495 -8.571 1.00 0.00 C ATOM 2154 O ALA C 36 -2.777 -10.344 -8.943 1.00 0.00 O ATOM 2155 CB ALA C 36 -0.961 -9.508 -6.380 1.00 0.00 C ATOM 0 H ALA C 36 -2.452 -8.080 -8.339 1.00 0.00 H new ATOM 0 HA ALA C 36 0.180 -9.381 -8.217 1.00 0.00 H new ATOM 0 HB1 ALA C 36 -0.534 -10.466 -6.085 1.00 0.00 H new ATOM 0 HB2 ALA C 36 -0.413 -8.701 -5.893 1.00 0.00 H new ATOM 0 HB3 ALA C 36 -2.008 -9.469 -6.078 1.00 0.00 H new ATOM 2161 N PRO C 37 -0.950 -11.647 -8.726 1.00 0.00 N ATOM 2162 CA PRO C 37 -1.564 -12.876 -9.191 1.00 0.00 C ATOM 2163 C PRO C 37 -2.524 -13.439 -8.154 1.00 0.00 C ATOM 2164 O PRO C 37 -2.454 -13.097 -6.976 1.00 0.00 O ATOM 2165 CB PRO C 37 -0.401 -13.850 -9.389 1.00 0.00 C ATOM 2166 CG PRO C 37 0.707 -13.329 -8.475 1.00 0.00 C ATOM 2167 CD PRO C 37 0.462 -11.830 -8.458 1.00 0.00 C ATOM 0 HA PRO C 37 -2.140 -12.710 -10.101 1.00 0.00 H new ATOM 0 HB2 PRO C 37 -0.688 -14.867 -9.122 1.00 0.00 H new ATOM 0 HB3 PRO C 37 -0.077 -13.873 -10.430 1.00 0.00 H new ATOM 0 HG2 PRO C 37 0.641 -13.760 -7.476 1.00 0.00 H new ATOM 0 HG3 PRO C 37 1.697 -13.572 -8.862 1.00 0.00 H new ATOM 0 HD2 PRO C 37 0.733 -11.402 -7.493 1.00 0.00 H new ATOM 0 HD3 PRO C 37 1.069 -11.328 -9.211 1.00 0.00 H new ATOM 2175 N LYS C 38 -3.426 -14.317 -8.599 1.00 0.00 N ATOM 2176 CA LYS C 38 -4.310 -15.046 -7.700 1.00 0.00 C ATOM 2177 C LYS C 38 -3.513 -16.028 -6.845 1.00 0.00 C ATOM 2178 O LYS C 38 -4.079 -16.729 -6.008 1.00 0.00 O ATOM 2179 CB LYS C 38 -5.396 -15.757 -8.508 1.00 0.00 C ATOM 2180 CG LYS C 38 -6.279 -14.763 -9.271 1.00 0.00 C ATOM 2181 CD LYS C 38 -6.913 -13.750 -8.323 1.00 0.00 C ATOM 2182 CE LYS C 38 -7.934 -12.904 -9.070 1.00 0.00 C ATOM 2183 NZ LYS C 38 -9.082 -13.707 -9.537 1.00 0.00 N ATOM 0 H LYS C 38 -3.560 -14.538 -9.586 1.00 0.00 H new ATOM 0 HA LYS C 38 -4.794 -14.343 -7.022 1.00 0.00 H new ATOM 0 HB2 LYS C 38 -4.932 -16.447 -9.213 1.00 0.00 H new ATOM 0 HB3 LYS C 38 -6.015 -16.354 -7.839 1.00 0.00 H new ATOM 0 HG2 LYS C 38 -5.682 -14.241 -10.019 1.00 0.00 H new ATOM 0 HG3 LYS C 38 -7.060 -15.303 -9.807 1.00 0.00 H new ATOM 0 HD2 LYS C 38 -7.395 -14.268 -7.494 1.00 0.00 H new ATOM 0 HD3 LYS C 38 -6.142 -13.110 -7.894 1.00 0.00 H new ATOM 0 HE2 LYS C 38 -8.291 -12.107 -8.418 1.00 0.00 H new ATOM 0 HE3 LYS C 38 -7.454 -12.427 -9.924 1.00 0.00 H new ATOM 0 HZ1 LYS C 38 -9.894 -13.082 -9.712 1.00 0.00 H new ATOM 0 HZ2 LYS C 38 -8.827 -14.198 -10.417 1.00 0.00 H new ATOM 0 HZ3 LYS C 38 -9.334 -14.407 -8.811 1.00 0.00 H new ATOM 2197 N ASP C 39 -2.197 -16.069 -7.065 1.00 0.00 N ATOM 2198 CA ASP C 39 -1.256 -16.842 -6.276 1.00 0.00 C ATOM 2199 C ASP C 39 -1.162 -16.283 -4.855 1.00 0.00 C ATOM 2200 O ASP C 39 -0.585 -16.929 -3.976 1.00 0.00 O ATOM 2201 CB ASP C 39 0.108 -16.745 -6.955 1.00 0.00 C ATOM 2202 CG ASP C 39 1.035 -17.872 -6.518 1.00 0.00 C ATOM 2203 OD1 ASP C 39 0.666 -19.047 -6.746 1.00 0.00 O ATOM 2204 OD2 ASP C 39 2.111 -17.553 -5.959 1.00 0.00 O ATOM 0 H ASP C 39 -1.752 -15.548 -7.820 1.00 0.00 H new ATOM 0 HA ASP C 39 -1.586 -17.879 -6.212 1.00 0.00 H new ATOM 0 HB2 ASP C 39 -0.021 -16.778 -8.037 1.00 0.00 H new ATOM 0 HB3 ASP C 39 0.565 -15.785 -6.718 1.00 0.00 H new ATOM 2209 N VAL C 40 -1.726 -15.091 -4.631 1.00 0.00 N ATOM 2210 CA VAL C 40 -1.687 -14.410 -3.346 1.00 0.00 C ATOM 2211 C VAL C 40 -3.039 -13.761 -3.053 1.00 0.00 C ATOM 2212 O VAL C 40 -3.845 -13.533 -3.961 1.00 0.00 O ATOM 2213 CB VAL C 40 -0.565 -13.358 -3.327 1.00 0.00 C ATOM 2214 CG1 VAL C 40 0.739 -13.924 -3.891 1.00 0.00 C ATOM 2215 CG2 VAL C 40 -0.929 -12.119 -4.141 1.00 0.00 C ATOM 0 H VAL C 40 -2.227 -14.571 -5.351 1.00 0.00 H new ATOM 0 HA VAL C 40 -1.478 -15.144 -2.568 1.00 0.00 H new ATOM 0 HB VAL C 40 -0.433 -13.081 -2.281 1.00 0.00 H new ATOM 0 HG11 VAL C 40 1.511 -13.155 -3.863 1.00 0.00 H new ATOM 0 HG12 VAL C 40 1.055 -14.777 -3.291 1.00 0.00 H new ATOM 0 HG13 VAL C 40 0.582 -14.243 -4.921 1.00 0.00 H new ATOM 0 HG21 VAL C 40 -0.108 -11.403 -4.100 1.00 0.00 H new ATOM 0 HG22 VAL C 40 -1.110 -12.405 -5.177 1.00 0.00 H new ATOM 0 HG23 VAL C 40 -1.829 -11.664 -3.728 1.00 0.00 H new ATOM 2225 N ALA C 41 -3.287 -13.458 -1.778 1.00 0.00 N ATOM 2226 CA ALA C 41 -4.532 -12.848 -1.344 1.00 0.00 C ATOM 2227 C ALA C 41 -4.311 -11.366 -1.067 1.00 0.00 C ATOM 2228 O ALA C 41 -3.240 -10.984 -0.605 1.00 0.00 O ATOM 2229 CB ALA C 41 -4.993 -13.559 -0.073 1.00 0.00 C ATOM 0 H ALA C 41 -2.626 -13.631 -1.021 1.00 0.00 H new ATOM 0 HA ALA C 41 -5.292 -12.943 -2.120 1.00 0.00 H new ATOM 0 HB1 ALA C 41 -5.928 -13.117 0.272 1.00 0.00 H new ATOM 0 HB2 ALA C 41 -5.148 -14.617 -0.284 1.00 0.00 H new ATOM 0 HB3 ALA C 41 -4.233 -13.450 0.701 1.00 0.00 H new ATOM 2235 N VAL C 42 -5.314 -10.527 -1.343 1.00 0.00 N ATOM 2236 CA VAL C 42 -5.229 -9.105 -1.028 1.00 0.00 C ATOM 2237 C VAL C 42 -6.594 -8.594 -0.580 1.00 0.00 C ATOM 2238 O VAL C 42 -7.593 -8.783 -1.272 1.00 0.00 O ATOM 2239 CB VAL C 42 -4.694 -8.297 -2.221 1.00 0.00 C ATOM 2240 CG1 VAL C 42 -3.280 -8.741 -2.585 1.00 0.00 C ATOM 2241 CG2 VAL C 42 -5.557 -8.440 -3.472 1.00 0.00 C ATOM 0 H VAL C 42 -6.190 -10.810 -1.782 1.00 0.00 H new ATOM 0 HA VAL C 42 -4.520 -8.972 -0.211 1.00 0.00 H new ATOM 0 HB VAL C 42 -4.709 -7.256 -1.899 1.00 0.00 H new ATOM 0 HG11 VAL C 42 -2.922 -8.156 -3.432 1.00 0.00 H new ATOM 0 HG12 VAL C 42 -2.619 -8.587 -1.732 1.00 0.00 H new ATOM 0 HG13 VAL C 42 -3.288 -9.798 -2.852 1.00 0.00 H new ATOM 0 HG21 VAL C 42 -5.128 -7.847 -4.280 1.00 0.00 H new ATOM 0 HG22 VAL C 42 -5.593 -9.488 -3.771 1.00 0.00 H new ATOM 0 HG23 VAL C 42 -6.567 -8.088 -3.260 1.00 0.00 H new ATOM 2251 N HIS C 43 -6.638 -7.946 0.586 1.00 0.00 N ATOM 2252 CA HIS C 43 -7.879 -7.406 1.129 1.00 0.00 C ATOM 2253 C HIS C 43 -7.570 -6.269 2.095 1.00 0.00 C ATOM 2254 O HIS C 43 -6.445 -6.154 2.578 1.00 0.00 O ATOM 2255 CB HIS C 43 -8.653 -8.489 1.902 1.00 0.00 C ATOM 2256 CG HIS C 43 -8.651 -9.861 1.279 1.00 0.00 C ATOM 2257 ND1 HIS C 43 -9.664 -10.383 0.469 1.00 0.00 N ATOM 2258 CD2 HIS C 43 -7.663 -10.796 1.419 1.00 0.00 C ATOM 2259 CE1 HIS C 43 -9.263 -11.623 0.144 1.00 0.00 C ATOM 2260 NE2 HIS C 43 -8.069 -11.895 0.701 1.00 0.00 N ATOM 0 H HIS C 43 -5.820 -7.783 1.173 1.00 0.00 H new ATOM 0 HA HIS C 43 -8.481 -7.048 0.294 1.00 0.00 H new ATOM 0 HB2 HIS C 43 -8.233 -8.564 2.905 1.00 0.00 H new ATOM 0 HB3 HIS C 43 -9.687 -8.162 2.013 1.00 0.00 H new ATOM 0 HD1 HIS C 43 -10.527 -9.919 0.184 1.00 0.00 H new ATOM 0 HD2 HIS C 43 -6.747 -10.692 1.981 1.00 0.00 H new ATOM 0 HE1 HIS C 43 -9.822 -12.307 -0.478 1.00 0.00 H new ATOM 2268 N ARG C 44 -8.564 -5.421 2.391 1.00 0.00 N ATOM 2269 CA ARG C 44 -8.419 -4.451 3.465 1.00 0.00 C ATOM 2270 C ARG C 44 -8.393 -5.223 4.780 1.00 0.00 C ATOM 2271 O ARG C 44 -8.884 -6.349 4.841 1.00 0.00 O ATOM 2272 CB ARG C 44 -9.533 -3.402 3.420 1.00 0.00 C ATOM 2273 CG ARG C 44 -10.929 -4.024 3.460 1.00 0.00 C ATOM 2274 CD ARG C 44 -11.993 -2.928 3.462 1.00 0.00 C ATOM 2275 NE ARG C 44 -13.336 -3.508 3.339 1.00 0.00 N ATOM 2276 CZ ARG C 44 -14.451 -2.959 3.834 1.00 0.00 C ATOM 2277 NH1 ARG C 44 -14.416 -1.804 4.494 1.00 0.00 N ATOM 2278 NH2 ARG C 44 -15.618 -3.573 3.663 1.00 0.00 N ATOM 0 H ARG C 44 -9.461 -5.392 1.906 1.00 0.00 H new ATOM 0 HA ARG C 44 -7.490 -3.892 3.357 1.00 0.00 H new ATOM 0 HB2 ARG C 44 -9.419 -2.720 4.263 1.00 0.00 H new ATOM 0 HB3 ARG C 44 -9.430 -2.807 2.512 1.00 0.00 H new ATOM 0 HG2 ARG C 44 -11.070 -4.676 2.598 1.00 0.00 H new ATOM 0 HG3 ARG C 44 -11.034 -4.645 4.350 1.00 0.00 H new ATOM 0 HD2 ARG C 44 -11.924 -2.349 4.383 1.00 0.00 H new ATOM 0 HD3 ARG C 44 -11.813 -2.238 2.638 1.00 0.00 H new ATOM 0 HE ARG C 44 -13.425 -4.393 2.840 1.00 0.00 H new ATOM 0 HH11 ARG C 44 -13.528 -1.321 4.630 1.00 0.00 H new ATOM 0 HH12 ARG C 44 -15.277 -1.402 4.864 1.00 0.00 H new ATOM 0 HH21 ARG C 44 -15.660 -4.458 3.157 1.00 0.00 H new ATOM 0 HH22 ARG C 44 -16.472 -3.159 4.038 1.00 0.00 H new ATOM 2292 N GLU C 45 -7.825 -4.628 5.828 1.00 0.00 N ATOM 2293 CA GLU C 45 -7.662 -5.323 7.101 1.00 0.00 C ATOM 2294 C GLU C 45 -8.996 -5.826 7.666 1.00 0.00 C ATOM 2295 O GLU C 45 -9.011 -6.757 8.465 1.00 0.00 O ATOM 2296 CB GLU C 45 -6.951 -4.401 8.091 1.00 0.00 C ATOM 2297 CG GLU C 45 -6.447 -5.188 9.304 1.00 0.00 C ATOM 2298 CD GLU C 45 -5.814 -4.273 10.347 1.00 0.00 C ATOM 2299 OE1 GLU C 45 -6.567 -3.467 10.939 1.00 0.00 O ATOM 2300 OE2 GLU C 45 -4.584 -4.384 10.545 1.00 0.00 O ATOM 0 H GLU C 45 -7.472 -3.671 5.820 1.00 0.00 H new ATOM 0 HA GLU C 45 -7.052 -6.210 6.931 1.00 0.00 H new ATOM 0 HB2 GLU C 45 -6.113 -3.908 7.598 1.00 0.00 H new ATOM 0 HB3 GLU C 45 -7.634 -3.617 8.419 1.00 0.00 H new ATOM 0 HG2 GLU C 45 -7.276 -5.734 9.754 1.00 0.00 H new ATOM 0 HG3 GLU C 45 -5.717 -5.929 8.979 1.00 0.00 H new ATOM 2307 N GLU C 46 -10.124 -5.227 7.264 1.00 0.00 N ATOM 2308 CA GLU C 46 -11.423 -5.659 7.764 1.00 0.00 C ATOM 2309 C GLU C 46 -11.758 -7.066 7.278 1.00 0.00 C ATOM 2310 O GLU C 46 -12.210 -7.886 8.076 1.00 0.00 O ATOM 2311 CB GLU C 46 -12.489 -4.657 7.315 1.00 0.00 C ATOM 2312 CG GLU C 46 -13.885 -5.059 7.801 1.00 0.00 C ATOM 2313 CD GLU C 46 -13.958 -5.194 9.320 1.00 0.00 C ATOM 2314 OE1 GLU C 46 -13.438 -4.288 10.009 1.00 0.00 O ATOM 2315 OE2 GLU C 46 -14.538 -6.202 9.786 1.00 0.00 O ATOM 0 H GLU C 46 -10.158 -4.452 6.602 1.00 0.00 H new ATOM 0 HA GLU C 46 -11.395 -5.692 8.853 1.00 0.00 H new ATOM 0 HB2 GLU C 46 -12.242 -3.667 7.697 1.00 0.00 H new ATOM 0 HB3 GLU C 46 -12.488 -4.588 6.227 1.00 0.00 H new ATOM 0 HG2 GLU C 46 -14.610 -4.315 7.470 1.00 0.00 H new ATOM 0 HG3 GLU C 46 -14.168 -6.006 7.341 1.00 0.00 H new ATOM 2322 N ILE C 47 -11.546 -7.363 5.991 1.00 0.00 N ATOM 2323 CA ILE C 47 -11.833 -8.688 5.447 1.00 0.00 C ATOM 2324 C ILE C 47 -10.769 -9.665 5.927 1.00 0.00 C ATOM 2325 O ILE C 47 -11.054 -10.836 6.172 1.00 0.00 O ATOM 2326 CB ILE C 47 -11.827 -8.631 3.909 1.00 0.00 C ATOM 2327 CG1 ILE C 47 -13.147 -8.130 3.323 1.00 0.00 C ATOM 2328 CG2 ILE C 47 -11.595 -10.019 3.308 1.00 0.00 C ATOM 2329 CD1 ILE C 47 -13.515 -6.725 3.787 1.00 0.00 C ATOM 0 H ILE C 47 -11.176 -6.701 5.309 1.00 0.00 H new ATOM 0 HA ILE C 47 -12.815 -9.018 5.787 1.00 0.00 H new ATOM 0 HB ILE C 47 -11.023 -7.939 3.658 1.00 0.00 H new ATOM 0 HG12 ILE C 47 -13.081 -8.141 2.235 1.00 0.00 H new ATOM 0 HG13 ILE C 47 -13.945 -8.818 3.601 1.00 0.00 H new ATOM 0 HG21 ILE C 47 -11.596 -9.949 2.220 1.00 0.00 H new ATOM 0 HG22 ILE C 47 -10.634 -10.406 3.646 1.00 0.00 H new ATOM 0 HG23 ILE C 47 -12.390 -10.692 3.629 1.00 0.00 H new ATOM 0 HD11 ILE C 47 -14.462 -6.429 3.335 1.00 0.00 H new ATOM 0 HD12 ILE C 47 -13.612 -6.714 4.873 1.00 0.00 H new ATOM 0 HD13 ILE C 47 -12.735 -6.026 3.485 1.00 0.00 H new ATOM 2341 N TYR C 48 -9.535 -9.173 6.058 1.00 0.00 N ATOM 2342 CA TYR C 48 -8.389 -10.000 6.389 1.00 0.00 C ATOM 2343 C TYR C 48 -8.559 -10.732 7.717 1.00 0.00 C ATOM 2344 O TYR C 48 -8.067 -11.846 7.885 1.00 0.00 O ATOM 2345 CB TYR C 48 -7.167 -9.091 6.449 1.00 0.00 C ATOM 2346 CG TYR C 48 -5.899 -9.834 6.771 1.00 0.00 C ATOM 2347 CD1 TYR C 48 -5.197 -10.515 5.769 1.00 0.00 C ATOM 2348 CD2 TYR C 48 -5.436 -9.841 8.093 1.00 0.00 C ATOM 2349 CE1 TYR C 48 -4.017 -11.206 6.080 1.00 0.00 C ATOM 2350 CE2 TYR C 48 -4.263 -10.531 8.417 1.00 0.00 C ATOM 2351 CZ TYR C 48 -3.541 -11.210 7.409 1.00 0.00 C ATOM 2352 OH TYR C 48 -2.389 -11.869 7.716 1.00 0.00 O ATOM 0 H TYR C 48 -9.309 -8.186 5.936 1.00 0.00 H new ATOM 0 HA TYR C 48 -8.278 -10.769 5.625 1.00 0.00 H new ATOM 0 HB2 TYR C 48 -7.051 -8.583 5.492 1.00 0.00 H new ATOM 0 HB3 TYR C 48 -7.331 -8.320 7.201 1.00 0.00 H new ATOM 0 HD1 TYR C 48 -5.565 -10.508 4.754 1.00 0.00 H new ATOM 0 HD2 TYR C 48 -5.984 -9.315 8.861 1.00 0.00 H new ATOM 0 HE1 TYR C 48 -3.476 -11.732 5.307 1.00 0.00 H new ATOM 0 HE2 TYR C 48 -3.909 -10.545 9.437 1.00 0.00 H new ATOM 0 HH TYR C 48 -2.202 -11.772 8.673 1.00 0.00 H new