USER MOD reduce.3.24.130724 H: found=0, std=0, add=872, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 869 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 173:sc= -0.0752 (180deg=-0.217) USER MOD Single : A 8 SER OG : rot -137:sc= 1.05 USER MOD Single : A 11 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.488) USER MOD Single : A 14 SER OG : rot 180:sc= 0.00214 USER MOD Single : A 15 SER OG : rot 87:sc= 1.01 USER MOD Single : A 16 MET CE :methyl 157:sc= -0.386 (180deg=-1.5) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot -106:sc= 0.85 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -0.366 K(o=-0.37,f=-1.1) USER MOD Single : A 42 ASN : amide:sc= -0.267 K(o=-0.27,f=-2.1) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HE2:sc= 1.14 K(o=1.1,f=-3.9!) USER MOD Single : A 50 THR OG1 : rot -28:sc= 0.0288 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 82:sc= 0.0241 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 130:sc= -0.576 USER MOD Single : A 70 ASN : amide:sc= 0.873 K(o=0.87,f=-5.8!) USER MOD Single : A 74 ASN : amide:sc=-0.00747 X(o=-0.0075,f=-0.23) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ -119:sc= -0.103 (180deg=-0.899) USER MOD Single : A 85 LYS NZ :NH3+ 177:sc= 1 (180deg=0.906) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0.0381 USER MOD Single : A 95 GLN : amide:sc= 0.839 K(o=0.84,f=-0.59) USER MOD Single : A 102 SER OG : rot -70:sc= 1.26 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 THR OG1 : rot 180:sc=-0.00379 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.047 -2.971 12.521 1.00 0.00 N ATOM 2 CA MET A 1 11.477 -3.767 11.420 1.00 0.00 C ATOM 3 C MET A 1 10.140 -3.163 11.011 1.00 0.00 C ATOM 4 O MET A 1 9.210 -3.158 11.818 1.00 0.00 O ATOM 5 CB MET A 1 11.332 -5.251 11.809 1.00 0.00 C ATOM 6 CG MET A 1 10.646 -5.504 13.158 1.00 0.00 C ATOM 7 SD MET A 1 10.647 -7.233 13.672 1.00 0.00 S ATOM 8 CE MET A 1 10.155 -6.974 15.396 1.00 0.00 C ATOM 0 H1 MET A 1 12.899 -3.443 12.885 1.00 0.00 H new ATOM 0 H2 MET A 1 12.298 -2.024 12.171 1.00 0.00 H new ATOM 0 H3 MET A 1 11.347 -2.883 13.285 1.00 0.00 H new ATOM 0 HA MET A 1 12.158 -3.737 10.569 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.767 -5.762 11.030 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.323 -5.703 11.832 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.143 -4.908 13.924 1.00 0.00 H new ATOM 0 HG3 MET A 1 9.615 -5.154 13.101 1.00 0.00 H new ATOM 0 HE1 MET A 1 10.094 -7.936 15.906 1.00 0.00 H new ATOM 0 HE2 MET A 1 10.893 -6.345 15.894 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.181 -6.485 15.427 1.00 0.00 H new ATOM 18 N ALA A 2 9.999 -2.636 9.789 1.00 0.00 N ATOM 19 CA ALA A 2 8.759 -2.011 9.348 1.00 0.00 C ATOM 20 C ALA A 2 8.438 -2.275 7.887 1.00 0.00 C ATOM 21 O ALA A 2 8.825 -1.521 6.990 1.00 0.00 O ATOM 22 CB ALA A 2 8.746 -0.517 9.682 1.00 0.00 C ATOM 0 H ALA A 2 10.739 -2.633 9.087 1.00 0.00 H new ATOM 0 HA ALA A 2 7.955 -2.486 9.910 1.00 0.00 H new ATOM 0 HB1 ALA A 2 7.809 -0.076 9.342 1.00 0.00 H new ATOM 0 HB2 ALA A 2 8.839 -0.384 10.760 1.00 0.00 H new ATOM 0 HB3 ALA A 2 9.581 -0.025 9.183 1.00 0.00 H new ATOM 28 N ARG A 3 7.647 -3.321 7.655 1.00 0.00 N ATOM 29 CA ARG A 3 7.354 -3.788 6.313 1.00 0.00 C ATOM 30 C ARG A 3 6.310 -2.906 5.679 1.00 0.00 C ATOM 31 O ARG A 3 5.176 -2.865 6.158 1.00 0.00 O ATOM 32 CB ARG A 3 6.862 -5.227 6.377 1.00 0.00 C ATOM 33 CG ARG A 3 8.074 -6.144 6.226 1.00 0.00 C ATOM 34 CD ARG A 3 7.817 -7.543 6.772 1.00 0.00 C ATOM 35 NE ARG A 3 8.709 -7.814 7.908 1.00 0.00 N ATOM 36 CZ ARG A 3 8.398 -7.755 9.204 1.00 0.00 C ATOM 37 NH1 ARG A 3 7.156 -7.511 9.595 1.00 0.00 N ATOM 38 NH2 ARG A 3 9.321 -7.910 10.143 1.00 0.00 N ATOM 0 H ARG A 3 7.196 -3.862 8.392 1.00 0.00 H new ATOM 0 HA ARG A 3 8.259 -3.746 5.706 1.00 0.00 H new ATOM 0 HB2 ARG A 3 6.356 -5.416 7.324 1.00 0.00 H new ATOM 0 HB3 ARG A 3 6.138 -5.418 5.585 1.00 0.00 H new ATOM 0 HG2 ARG A 3 8.345 -6.212 5.172 1.00 0.00 H new ATOM 0 HG3 ARG A 3 8.925 -5.705 6.746 1.00 0.00 H new ATOM 0 HD2 ARG A 3 6.777 -7.634 7.086 1.00 0.00 H new ATOM 0 HD3 ARG A 3 7.979 -8.283 5.988 1.00 0.00 H new ATOM 0 HE ARG A 3 9.669 -8.075 7.681 1.00 0.00 H new ATOM 0 HH11 ARG A 3 6.422 -7.365 8.902 1.00 0.00 H new ATOM 0 HH12 ARG A 3 6.933 -7.469 10.590 1.00 0.00 H new ATOM 0 HH21 ARG A 3 10.292 -8.078 9.881 1.00 0.00 H new ATOM 0 HH22 ARG A 3 9.060 -7.861 11.128 1.00 0.00 H new ATOM 52 N VAL A 4 6.699 -2.196 4.632 1.00 0.00 N ATOM 53 CA VAL A 4 5.840 -1.280 3.901 1.00 0.00 C ATOM 54 C VAL A 4 5.345 -2.019 2.668 1.00 0.00 C ATOM 55 O VAL A 4 6.141 -2.718 2.043 1.00 0.00 O ATOM 56 CB VAL A 4 6.646 0.022 3.648 1.00 0.00 C ATOM 57 CG1 VAL A 4 7.367 0.080 2.316 1.00 0.00 C ATOM 58 CG2 VAL A 4 5.786 1.277 3.729 1.00 0.00 C ATOM 0 H VAL A 4 7.647 -2.243 4.258 1.00 0.00 H new ATOM 0 HA VAL A 4 4.946 -0.964 4.438 1.00 0.00 H new ATOM 0 HB VAL A 4 7.383 -0.006 4.451 1.00 0.00 H new ATOM 0 HG11 VAL A 4 7.901 1.027 2.232 1.00 0.00 H new ATOM 0 HG12 VAL A 4 8.077 -0.744 2.250 1.00 0.00 H new ATOM 0 HG13 VAL A 4 6.642 -0.000 1.506 1.00 0.00 H new ATOM 0 HG21 VAL A 4 6.405 2.155 3.543 1.00 0.00 H new ATOM 0 HG22 VAL A 4 4.996 1.225 2.980 1.00 0.00 H new ATOM 0 HG23 VAL A 4 5.341 1.350 4.721 1.00 0.00 H new ATOM 68 N ALA A 5 4.055 -1.921 2.319 1.00 0.00 N ATOM 69 CA ALA A 5 3.532 -2.724 1.207 1.00 0.00 C ATOM 70 C ALA A 5 3.078 -1.790 0.100 1.00 0.00 C ATOM 71 O ALA A 5 1.969 -1.269 0.166 1.00 0.00 O ATOM 72 CB ALA A 5 2.401 -3.635 1.681 1.00 0.00 C ATOM 0 H ALA A 5 3.373 -1.314 2.774 1.00 0.00 H new ATOM 0 HA ALA A 5 4.316 -3.374 0.818 1.00 0.00 H new ATOM 0 HB1 ALA A 5 2.029 -4.221 0.840 1.00 0.00 H new ATOM 0 HB2 ALA A 5 2.775 -4.307 2.454 1.00 0.00 H new ATOM 0 HB3 ALA A 5 1.592 -3.029 2.087 1.00 0.00 H new ATOM 78 N ILE A 6 3.909 -1.526 -0.898 1.00 0.00 N ATOM 79 CA ILE A 6 3.625 -0.488 -1.883 1.00 0.00 C ATOM 80 C ILE A 6 2.712 -1.081 -2.971 1.00 0.00 C ATOM 81 O ILE A 6 2.976 -2.189 -3.435 1.00 0.00 O ATOM 82 CB ILE A 6 4.924 0.110 -2.448 1.00 0.00 C ATOM 83 CG1 ILE A 6 5.895 0.519 -1.325 1.00 0.00 C ATOM 84 CG2 ILE A 6 4.644 1.325 -3.342 1.00 0.00 C ATOM 85 CD1 ILE A 6 6.889 -0.598 -0.967 1.00 0.00 C ATOM 0 H ILE A 6 4.790 -2.018 -1.049 1.00 0.00 H new ATOM 0 HA ILE A 6 3.100 0.344 -1.414 1.00 0.00 H new ATOM 0 HB ILE A 6 5.388 -0.672 -3.049 1.00 0.00 H new ATOM 0 HG12 ILE A 6 6.447 1.407 -1.633 1.00 0.00 H new ATOM 0 HG13 ILE A 6 5.324 0.791 -0.437 1.00 0.00 H new ATOM 0 HG21 ILE A 6 5.585 1.721 -3.723 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.012 1.024 -4.178 1.00 0.00 H new ATOM 0 HG23 ILE A 6 4.135 2.095 -2.761 1.00 0.00 H new ATOM 0 HD11 ILE A 6 7.549 -0.256 -0.170 1.00 0.00 H new ATOM 0 HD12 ILE A 6 6.341 -1.479 -0.631 1.00 0.00 H new ATOM 0 HD13 ILE A 6 7.482 -0.853 -1.845 1.00 0.00 H new ATOM 97 N PRO A 7 1.620 -0.399 -3.348 1.00 0.00 N ATOM 98 CA PRO A 7 0.730 -0.764 -4.433 1.00 0.00 C ATOM 99 C PRO A 7 1.405 -0.480 -5.767 1.00 0.00 C ATOM 100 O PRO A 7 1.962 0.596 -5.963 1.00 0.00 O ATOM 101 CB PRO A 7 -0.496 0.135 -4.276 1.00 0.00 C ATOM 102 CG PRO A 7 -0.067 1.297 -3.396 1.00 0.00 C ATOM 103 CD PRO A 7 1.260 0.898 -2.837 1.00 0.00 C ATOM 0 HA PRO A 7 0.467 -1.821 -4.407 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -0.844 0.490 -5.246 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -1.323 -0.411 -3.822 1.00 0.00 H new ATOM 0 HG2 PRO A 7 0.010 2.219 -3.972 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -0.791 1.477 -2.601 1.00 0.00 H new ATOM 0 HD2 PRO A 7 2.018 1.632 -3.109 1.00 0.00 H new ATOM 0 HD3 PRO A 7 1.217 0.874 -1.748 1.00 0.00 H new ATOM 111 N SER A 8 1.288 -1.403 -6.705 1.00 0.00 N ATOM 112 CA SER A 8 1.923 -1.359 -8.003 1.00 0.00 C ATOM 113 C SER A 8 0.904 -1.828 -9.047 1.00 0.00 C ATOM 114 O SER A 8 -0.113 -2.445 -8.704 1.00 0.00 O ATOM 115 CB SER A 8 3.146 -2.282 -7.909 1.00 0.00 C ATOM 116 OG SER A 8 3.825 -2.381 -9.139 1.00 0.00 O ATOM 0 H SER A 8 0.721 -2.240 -6.573 1.00 0.00 H new ATOM 0 HA SER A 8 2.250 -0.362 -8.298 1.00 0.00 H new ATOM 0 HB2 SER A 8 3.828 -1.904 -7.147 1.00 0.00 H new ATOM 0 HB3 SER A 8 2.828 -3.274 -7.589 1.00 0.00 H new ATOM 0 HG SER A 8 4.079 -3.314 -9.299 1.00 0.00 H new ATOM 122 N VAL A 9 1.197 -1.591 -10.325 1.00 0.00 N ATOM 123 CA VAL A 9 0.538 -2.245 -11.451 1.00 0.00 C ATOM 124 C VAL A 9 1.586 -2.980 -12.304 1.00 0.00 C ATOM 125 O VAL A 9 1.514 -3.018 -13.534 1.00 0.00 O ATOM 126 CB VAL A 9 -0.355 -1.245 -12.232 1.00 0.00 C ATOM 127 CG1 VAL A 9 -1.450 -0.650 -11.337 1.00 0.00 C ATOM 128 CG2 VAL A 9 0.383 -0.048 -12.852 1.00 0.00 C ATOM 0 H VAL A 9 1.914 -0.925 -10.611 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.154 -3.008 -11.095 1.00 0.00 H new ATOM 0 HB VAL A 9 -0.758 -1.860 -13.037 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.056 0.046 -11.917 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.083 -1.451 -10.955 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -0.990 -0.121 -10.502 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.331 0.589 -13.375 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.872 0.525 -12.065 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.132 -0.408 -13.557 1.00 0.00 H new ATOM 138 N GLY A 10 2.571 -3.608 -11.660 1.00 0.00 N ATOM 139 CA GLY A 10 3.440 -4.596 -12.279 1.00 0.00 C ATOM 140 C GLY A 10 4.295 -5.299 -11.233 1.00 0.00 C ATOM 141 O GLY A 10 4.390 -4.856 -10.082 1.00 0.00 O ATOM 0 H GLY A 10 2.787 -3.438 -10.678 1.00 0.00 H new ATOM 0 HA2 GLY A 10 2.839 -5.330 -12.816 1.00 0.00 H new ATOM 0 HA3 GLY A 10 4.083 -4.111 -13.014 1.00 0.00 H new ATOM 145 N LYS A 11 4.929 -6.395 -11.641 1.00 0.00 N ATOM 146 CA LYS A 11 5.728 -7.276 -10.797 1.00 0.00 C ATOM 147 C LYS A 11 7.192 -6.834 -10.856 1.00 0.00 C ATOM 148 O LYS A 11 8.087 -7.670 -11.014 1.00 0.00 O ATOM 149 CB LYS A 11 5.561 -8.730 -11.285 1.00 0.00 C ATOM 150 CG LYS A 11 4.181 -9.318 -11.171 1.00 0.00 C ATOM 151 CD LYS A 11 4.094 -10.770 -11.674 1.00 0.00 C ATOM 152 CE LYS A 11 3.759 -10.873 -13.168 1.00 0.00 C ATOM 153 NZ LYS A 11 4.951 -10.737 -14.033 1.00 0.00 N ATOM 0 H LYS A 11 4.898 -6.706 -12.612 1.00 0.00 H new ATOM 0 HA LYS A 11 5.394 -7.221 -9.761 1.00 0.00 H new ATOM 0 HB2 LYS A 11 5.868 -8.777 -12.330 1.00 0.00 H new ATOM 0 HB3 LYS A 11 6.249 -9.361 -10.722 1.00 0.00 H new ATOM 0 HG2 LYS A 11 3.863 -9.282 -10.129 1.00 0.00 H new ATOM 0 HG3 LYS A 11 3.483 -8.702 -11.738 1.00 0.00 H new ATOM 0 HD2 LYS A 11 5.044 -11.270 -11.486 1.00 0.00 H new ATOM 0 HD3 LYS A 11 3.335 -11.302 -11.100 1.00 0.00 H new ATOM 0 HE2 LYS A 11 3.282 -11.833 -13.363 1.00 0.00 H new ATOM 0 HE3 LYS A 11 3.037 -10.099 -13.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 4.753 -11.155 -14.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 5.184 -9.730 -14.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 5.755 -11.231 -13.596 1.00 0.00 H new ATOM 167 N ASP A 12 7.447 -5.527 -10.805 1.00 0.00 N ATOM 168 CA ASP A 12 8.787 -4.963 -10.917 1.00 0.00 C ATOM 169 C ASP A 12 8.866 -3.682 -10.100 1.00 0.00 C ATOM 170 O ASP A 12 7.885 -2.942 -9.995 1.00 0.00 O ATOM 171 CB ASP A 12 9.142 -4.663 -12.382 1.00 0.00 C ATOM 172 CG ASP A 12 9.917 -5.795 -13.053 1.00 0.00 C ATOM 173 OD1 ASP A 12 11.074 -6.008 -12.632 1.00 0.00 O ATOM 174 OD2 ASP A 12 9.405 -6.398 -14.033 1.00 0.00 O ATOM 0 H ASP A 12 6.718 -4.824 -10.683 1.00 0.00 H new ATOM 0 HA ASP A 12 9.501 -5.693 -10.536 1.00 0.00 H new ATOM 0 HB2 ASP A 12 8.225 -4.477 -12.941 1.00 0.00 H new ATOM 0 HB3 ASP A 12 9.734 -3.749 -12.427 1.00 0.00 H new ATOM 179 N LEU A 13 10.058 -3.387 -9.587 1.00 0.00 N ATOM 180 CA LEU A 13 10.358 -2.280 -8.668 1.00 0.00 C ATOM 181 C LEU A 13 10.332 -0.923 -9.375 1.00 0.00 C ATOM 182 O LEU A 13 10.255 0.111 -8.719 1.00 0.00 O ATOM 183 CB LEU A 13 11.723 -2.551 -8.004 1.00 0.00 C ATOM 184 CG LEU A 13 11.962 -2.049 -6.563 1.00 0.00 C ATOM 185 CD1 LEU A 13 11.955 -0.527 -6.430 1.00 0.00 C ATOM 186 CD2 LEU A 13 11.008 -2.675 -5.542 1.00 0.00 C ATOM 0 H LEU A 13 10.886 -3.939 -9.809 1.00 0.00 H new ATOM 0 HA LEU A 13 9.584 -2.231 -7.902 1.00 0.00 H new ATOM 0 HB2 LEU A 13 11.884 -3.629 -8.009 1.00 0.00 H new ATOM 0 HB3 LEU A 13 12.492 -2.111 -8.639 1.00 0.00 H new ATOM 0 HG LEU A 13 12.972 -2.388 -6.332 1.00 0.00 H new ATOM 0 HD11 LEU A 13 12.129 -0.252 -5.390 1.00 0.00 H new ATOM 0 HD12 LEU A 13 12.742 -0.104 -7.054 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.989 -0.138 -6.751 1.00 0.00 H new ATOM 0 HD21 LEU A 13 11.228 -2.281 -4.550 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.979 -2.433 -5.809 1.00 0.00 H new ATOM 0 HD23 LEU A 13 11.137 -3.757 -5.540 1.00 0.00 H new ATOM 198 N SER A 14 10.298 -0.891 -10.705 1.00 0.00 N ATOM 199 CA SER A 14 10.029 0.355 -11.399 1.00 0.00 C ATOM 200 C SER A 14 8.705 0.305 -12.149 1.00 0.00 C ATOM 201 O SER A 14 8.509 1.017 -13.137 1.00 0.00 O ATOM 202 CB SER A 14 11.188 0.577 -12.360 1.00 0.00 C ATOM 203 OG SER A 14 11.573 -0.606 -13.050 1.00 0.00 O ATOM 0 H SER A 14 10.451 -1.699 -11.309 1.00 0.00 H new ATOM 0 HA SER A 14 9.944 1.176 -10.687 1.00 0.00 H new ATOM 0 HB2 SER A 14 10.909 1.340 -13.087 1.00 0.00 H new ATOM 0 HB3 SER A 14 12.044 0.962 -11.806 1.00 0.00 H new ATOM 0 HG SER A 14 12.319 -0.405 -13.653 1.00 0.00 H new ATOM 209 N SER A 15 7.711 -0.374 -11.578 1.00 0.00 N ATOM 210 CA SER A 15 6.376 -0.314 -12.142 1.00 0.00 C ATOM 211 C SER A 15 5.652 0.902 -11.571 1.00 0.00 C ATOM 212 O SER A 15 6.106 1.478 -10.586 1.00 0.00 O ATOM 213 CB SER A 15 5.608 -1.593 -11.807 1.00 0.00 C ATOM 214 OG SER A 15 6.306 -2.740 -12.249 1.00 0.00 O ATOM 0 H SER A 15 7.806 -0.957 -10.746 1.00 0.00 H new ATOM 0 HA SER A 15 6.438 -0.225 -13.227 1.00 0.00 H new ATOM 0 HB2 SER A 15 5.449 -1.653 -10.730 1.00 0.00 H new ATOM 0 HB3 SER A 15 4.623 -1.561 -12.273 1.00 0.00 H new ATOM 0 HG SER A 15 6.937 -3.026 -11.556 1.00 0.00 H new ATOM 220 N MET A 16 4.492 1.266 -12.108 1.00 0.00 N ATOM 221 CA MET A 16 3.774 2.465 -11.681 1.00 0.00 C ATOM 222 C MET A 16 3.043 2.179 -10.367 1.00 0.00 C ATOM 223 O MET A 16 2.403 1.133 -10.230 1.00 0.00 O ATOM 224 CB MET A 16 2.761 2.820 -12.789 1.00 0.00 C ATOM 225 CG MET A 16 3.303 3.870 -13.765 1.00 0.00 C ATOM 226 SD MET A 16 2.649 5.562 -13.596 1.00 0.00 S ATOM 227 CE MET A 16 2.467 5.729 -11.800 1.00 0.00 C ATOM 0 H MET A 16 4.024 0.742 -12.848 1.00 0.00 H new ATOM 0 HA MET A 16 4.461 3.296 -11.519 1.00 0.00 H new ATOM 0 HB2 MET A 16 2.499 1.917 -13.340 1.00 0.00 H new ATOM 0 HB3 MET A 16 1.844 3.192 -12.333 1.00 0.00 H new ATOM 0 HG2 MET A 16 4.386 3.912 -13.652 1.00 0.00 H new ATOM 0 HG3 MET A 16 3.101 3.527 -14.780 1.00 0.00 H new ATOM 0 HE1 MET A 16 2.478 6.785 -11.530 1.00 0.00 H new ATOM 0 HE2 MET A 16 1.522 5.284 -11.487 1.00 0.00 H new ATOM 0 HE3 MET A 16 3.291 5.218 -11.302 1.00 0.00 H new ATOM 237 N VAL A 17 3.144 3.096 -9.398 1.00 0.00 N ATOM 238 CA VAL A 17 2.373 3.019 -8.155 1.00 0.00 C ATOM 239 C VAL A 17 0.953 3.507 -8.432 1.00 0.00 C ATOM 240 O VAL A 17 0.720 4.548 -9.050 1.00 0.00 O ATOM 241 CB VAL A 17 3.093 3.746 -6.999 1.00 0.00 C ATOM 242 CG1 VAL A 17 2.341 3.938 -5.680 1.00 0.00 C ATOM 243 CG2 VAL A 17 4.350 2.965 -6.667 1.00 0.00 C ATOM 0 H VAL A 17 3.759 3.908 -9.454 1.00 0.00 H new ATOM 0 HA VAL A 17 2.296 1.988 -7.811 1.00 0.00 H new ATOM 0 HB VAL A 17 3.244 4.753 -7.388 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.980 4.464 -4.970 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.438 4.522 -5.858 1.00 0.00 H new ATOM 0 HG13 VAL A 17 2.069 2.965 -5.271 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.880 3.457 -5.851 1.00 0.00 H new ATOM 0 HG22 VAL A 17 4.080 1.953 -6.366 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.995 2.923 -7.545 1.00 0.00 H new ATOM 253 N SER A 18 -0.001 2.694 -7.997 1.00 0.00 N ATOM 254 CA SER A 18 -1.436 2.842 -8.236 1.00 0.00 C ATOM 255 C SER A 18 -2.009 3.872 -7.270 1.00 0.00 C ATOM 256 O SER A 18 -1.454 4.028 -6.181 1.00 0.00 O ATOM 257 CB SER A 18 -2.064 1.448 -8.075 1.00 0.00 C ATOM 258 OG SER A 18 -3.411 1.417 -8.509 1.00 0.00 O ATOM 0 H SER A 18 0.214 1.869 -7.438 1.00 0.00 H new ATOM 0 HA SER A 18 -1.655 3.211 -9.238 1.00 0.00 H new ATOM 0 HB2 SER A 18 -1.484 0.722 -8.644 1.00 0.00 H new ATOM 0 HB3 SER A 18 -2.014 1.147 -7.029 1.00 0.00 H new ATOM 0 HG SER A 18 -3.772 0.513 -8.391 1.00 0.00 H new ATOM 264 N ASP A 19 -3.117 4.556 -7.607 1.00 0.00 N ATOM 265 CA ASP A 19 -3.638 5.617 -6.732 1.00 0.00 C ATOM 266 C ASP A 19 -4.786 5.082 -5.845 1.00 0.00 C ATOM 267 O ASP A 19 -5.760 5.783 -5.560 1.00 0.00 O ATOM 268 CB ASP A 19 -4.222 6.821 -7.512 1.00 0.00 C ATOM 269 CG ASP A 19 -3.432 7.391 -8.680 1.00 0.00 C ATOM 270 OD1 ASP A 19 -2.183 7.396 -8.655 1.00 0.00 O ATOM 271 OD2 ASP A 19 -4.116 7.762 -9.670 1.00 0.00 O ATOM 0 H ASP A 19 -3.657 4.398 -8.458 1.00 0.00 H new ATOM 0 HA ASP A 19 -2.780 5.942 -6.144 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -5.201 6.526 -7.889 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -4.385 7.629 -6.798 1.00 0.00 H new ATOM 276 N ARG A 20 -4.716 3.840 -5.364 1.00 0.00 N ATOM 277 CA ARG A 20 -5.850 3.140 -4.754 1.00 0.00 C ATOM 278 C ARG A 20 -5.369 1.878 -4.038 1.00 0.00 C ATOM 279 O ARG A 20 -5.208 0.860 -4.707 1.00 0.00 O ATOM 280 CB ARG A 20 -6.840 2.761 -5.886 1.00 0.00 C ATOM 281 CG ARG A 20 -6.256 2.449 -7.284 1.00 0.00 C ATOM 282 CD ARG A 20 -7.361 2.279 -8.325 1.00 0.00 C ATOM 283 NE ARG A 20 -7.783 3.576 -8.883 1.00 0.00 N ATOM 284 CZ ARG A 20 -8.307 3.780 -10.099 1.00 0.00 C ATOM 285 NH1 ARG A 20 -8.609 2.781 -10.920 1.00 0.00 N ATOM 286 NH2 ARG A 20 -8.525 5.018 -10.512 1.00 0.00 N ATOM 0 H ARG A 20 -3.861 3.284 -5.387 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.337 3.782 -4.020 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -7.405 1.889 -5.558 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -7.552 3.579 -5.996 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.588 3.254 -7.589 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.657 1.540 -7.235 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.008 1.633 -9.129 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.218 1.782 -7.870 1.00 0.00 H new ATOM 0 HE ARG A 20 -7.665 4.396 -8.287 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -8.443 1.817 -10.632 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -9.007 2.978 -11.838 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.294 5.806 -9.906 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -8.924 5.185 -11.436 1.00 0.00 H new ATOM 300 N PHE A 21 -5.194 1.905 -2.703 1.00 0.00 N ATOM 301 CA PHE A 21 -4.639 0.776 -1.965 1.00 0.00 C ATOM 302 C PHE A 21 -5.338 -0.528 -2.337 1.00 0.00 C ATOM 303 O PHE A 21 -4.726 -1.434 -2.888 1.00 0.00 O ATOM 304 CB PHE A 21 -4.735 1.025 -0.444 1.00 0.00 C ATOM 305 CG PHE A 21 -4.604 -0.241 0.382 1.00 0.00 C ATOM 306 CD1 PHE A 21 -3.583 -1.140 0.059 1.00 0.00 C ATOM 307 CD2 PHE A 21 -5.539 -0.592 1.374 1.00 0.00 C ATOM 308 CE1 PHE A 21 -3.464 -2.367 0.708 1.00 0.00 C ATOM 309 CE2 PHE A 21 -5.390 -1.805 2.073 1.00 0.00 C ATOM 310 CZ PHE A 21 -4.349 -2.693 1.746 1.00 0.00 C ATOM 0 H PHE A 21 -5.434 2.706 -2.119 1.00 0.00 H new ATOM 0 HA PHE A 21 -3.588 0.682 -2.239 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -3.955 1.726 -0.148 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -5.691 1.499 -0.220 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -2.871 -0.878 -0.710 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -6.366 0.066 1.598 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -2.694 -3.064 0.413 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -6.080 -2.055 2.866 1.00 0.00 H new ATOM 0 HZ PHE A 21 -4.232 -3.619 2.290 1.00 0.00 H new ATOM 320 N ALA A 22 -6.629 -0.632 -2.025 1.00 0.00 N ATOM 321 CA ALA A 22 -7.345 -1.887 -2.153 1.00 0.00 C ATOM 322 C ALA A 22 -7.877 -2.065 -3.575 1.00 0.00 C ATOM 323 O ALA A 22 -8.882 -2.752 -3.758 1.00 0.00 O ATOM 324 CB ALA A 22 -8.448 -1.961 -1.101 1.00 0.00 C ATOM 0 H ALA A 22 -7.196 0.143 -1.682 1.00 0.00 H new ATOM 0 HA ALA A 22 -6.661 -2.716 -1.972 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -8.983 -2.905 -1.201 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -8.007 -1.897 -0.106 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -9.143 -1.133 -1.243 1.00 0.00 H new ATOM 330 N ARG A 23 -7.259 -1.414 -4.568 1.00 0.00 N ATOM 331 CA ARG A 23 -7.456 -1.661 -5.979 1.00 0.00 C ATOM 332 C ARG A 23 -6.093 -1.651 -6.682 1.00 0.00 C ATOM 333 O ARG A 23 -5.955 -1.088 -7.771 1.00 0.00 O ATOM 334 CB ARG A 23 -8.398 -0.589 -6.529 1.00 0.00 C ATOM 335 CG ARG A 23 -9.762 -1.120 -6.906 1.00 0.00 C ATOM 336 CD ARG A 23 -9.654 -2.344 -7.822 1.00 0.00 C ATOM 337 NE ARG A 23 -10.610 -2.388 -8.933 1.00 0.00 N ATOM 338 CZ ARG A 23 -11.919 -2.143 -8.952 1.00 0.00 C ATOM 339 NH1 ARG A 23 -12.567 -1.701 -7.878 1.00 0.00 N ATOM 340 NH2 ARG A 23 -12.571 -2.380 -10.080 1.00 0.00 N ATOM 0 H ARG A 23 -6.582 -0.672 -4.390 1.00 0.00 H new ATOM 0 HA ARG A 23 -7.910 -2.636 -6.154 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -8.516 0.197 -5.783 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -7.941 -0.130 -7.405 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -10.312 -1.387 -6.004 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -10.332 -0.338 -7.407 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -8.645 -2.381 -8.232 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -9.785 -3.241 -7.217 1.00 0.00 H new ATOM 0 HE ARG A 23 -10.209 -2.647 -9.834 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -12.061 -1.540 -7.007 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -13.570 -1.523 -7.925 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -12.070 -2.737 -10.893 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -13.574 -2.205 -10.135 1.00 0.00 H new ATOM 354 N ALA A 24 -5.064 -2.215 -6.054 1.00 0.00 N ATOM 355 CA ALA A 24 -3.735 -2.165 -6.626 1.00 0.00 C ATOM 356 C ALA A 24 -3.347 -3.598 -6.963 1.00 0.00 C ATOM 357 O ALA A 24 -3.542 -4.506 -6.152 1.00 0.00 O ATOM 358 CB ALA A 24 -2.729 -1.514 -5.680 1.00 0.00 C ATOM 0 H ALA A 24 -5.130 -2.704 -5.161 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.730 -1.544 -7.522 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.746 -1.498 -6.150 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.043 -0.494 -5.461 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.679 -2.085 -4.753 1.00 0.00 H new ATOM 364 N GLU A 25 -2.830 -3.805 -8.167 1.00 0.00 N ATOM 365 CA GLU A 25 -2.749 -5.125 -8.777 1.00 0.00 C ATOM 366 C GLU A 25 -1.602 -5.966 -8.236 1.00 0.00 C ATOM 367 O GLU A 25 -1.718 -7.193 -8.173 1.00 0.00 O ATOM 368 CB GLU A 25 -2.677 -4.949 -10.293 1.00 0.00 C ATOM 369 CG GLU A 25 -4.079 -4.609 -10.807 1.00 0.00 C ATOM 370 CD GLU A 25 -4.141 -4.605 -12.329 1.00 0.00 C ATOM 371 OE1 GLU A 25 -3.577 -3.670 -12.943 1.00 0.00 O ATOM 372 OE2 GLU A 25 -4.808 -5.489 -12.917 1.00 0.00 O ATOM 0 H GLU A 25 -2.453 -3.058 -8.751 1.00 0.00 H new ATOM 0 HA GLU A 25 -3.645 -5.688 -8.515 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -1.976 -4.155 -10.550 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -2.311 -5.862 -10.764 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -4.794 -5.333 -10.417 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -4.377 -3.631 -10.429 1.00 0.00 H new ATOM 379 N TYR A 26 -0.545 -5.327 -7.743 1.00 0.00 N ATOM 380 CA TYR A 26 0.590 -5.978 -7.134 1.00 0.00 C ATOM 381 C TYR A 26 0.935 -5.212 -5.863 1.00 0.00 C ATOM 382 O TYR A 26 0.760 -3.991 -5.813 1.00 0.00 O ATOM 383 CB TYR A 26 1.717 -5.964 -8.170 1.00 0.00 C ATOM 384 CG TYR A 26 1.373 -6.732 -9.426 1.00 0.00 C ATOM 385 CD1 TYR A 26 1.598 -8.114 -9.496 1.00 0.00 C ATOM 386 CD2 TYR A 26 0.812 -6.055 -10.524 1.00 0.00 C ATOM 387 CE1 TYR A 26 1.302 -8.807 -10.682 1.00 0.00 C ATOM 388 CE2 TYR A 26 0.519 -6.737 -11.714 1.00 0.00 C ATOM 389 CZ TYR A 26 0.765 -8.122 -11.795 1.00 0.00 C ATOM 390 OH TYR A 26 0.507 -8.786 -12.951 1.00 0.00 O ATOM 0 H TYR A 26 -0.461 -4.311 -7.761 1.00 0.00 H new ATOM 0 HA TYR A 26 0.401 -7.013 -6.850 1.00 0.00 H new ATOM 0 HB2 TYR A 26 1.948 -4.932 -8.433 1.00 0.00 H new ATOM 0 HB3 TYR A 26 2.617 -6.389 -7.726 1.00 0.00 H new ATOM 0 HD1 TYR A 26 1.997 -8.643 -8.643 1.00 0.00 H new ATOM 0 HD2 TYR A 26 0.604 -4.998 -10.450 1.00 0.00 H new ATOM 0 HE1 TYR A 26 1.486 -9.869 -10.743 1.00 0.00 H new ATOM 0 HE2 TYR A 26 0.109 -6.206 -12.560 1.00 0.00 H new ATOM 0 HH TYR A 26 0.140 -8.162 -13.612 1.00 0.00 H new ATOM 400 N PHE A 27 1.445 -5.911 -4.853 1.00 0.00 N ATOM 401 CA PHE A 27 1.863 -5.331 -3.589 1.00 0.00 C ATOM 402 C PHE A 27 3.294 -5.752 -3.344 1.00 0.00 C ATOM 403 O PHE A 27 3.600 -6.941 -3.359 1.00 0.00 O ATOM 404 CB PHE A 27 0.966 -5.768 -2.427 1.00 0.00 C ATOM 405 CG PHE A 27 -0.446 -5.231 -2.466 1.00 0.00 C ATOM 406 CD1 PHE A 27 -0.660 -3.847 -2.549 1.00 0.00 C ATOM 407 CD2 PHE A 27 -1.551 -6.100 -2.405 1.00 0.00 C ATOM 408 CE1 PHE A 27 -1.966 -3.338 -2.569 1.00 0.00 C ATOM 409 CE2 PHE A 27 -2.856 -5.593 -2.494 1.00 0.00 C ATOM 410 CZ PHE A 27 -3.065 -4.209 -2.572 1.00 0.00 C ATOM 0 H PHE A 27 1.581 -6.921 -4.896 1.00 0.00 H new ATOM 0 HA PHE A 27 1.781 -4.246 -3.646 1.00 0.00 H new ATOM 0 HB2 PHE A 27 0.923 -6.857 -2.412 1.00 0.00 H new ATOM 0 HB3 PHE A 27 1.431 -5.454 -1.492 1.00 0.00 H new ATOM 0 HD1 PHE A 27 0.182 -3.173 -2.598 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -1.394 -7.162 -2.289 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -2.127 -2.270 -2.582 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -3.699 -6.268 -2.502 1.00 0.00 H new ATOM 0 HZ PHE A 27 -4.069 -3.815 -2.634 1.00 0.00 H new ATOM 420 N ILE A 28 4.165 -4.783 -3.122 1.00 0.00 N ATOM 421 CA ILE A 28 5.602 -4.955 -3.082 1.00 0.00 C ATOM 422 C ILE A 28 5.995 -4.696 -1.629 1.00 0.00 C ATOM 423 O ILE A 28 5.899 -3.556 -1.185 1.00 0.00 O ATOM 424 CB ILE A 28 6.239 -4.001 -4.124 1.00 0.00 C ATOM 425 CG1 ILE A 28 5.530 -3.994 -5.503 1.00 0.00 C ATOM 426 CG2 ILE A 28 7.731 -4.315 -4.285 1.00 0.00 C ATOM 427 CD1 ILE A 28 5.444 -5.327 -6.238 1.00 0.00 C ATOM 0 H ILE A 28 3.877 -3.818 -2.959 1.00 0.00 H new ATOM 0 HA ILE A 28 5.958 -5.948 -3.358 1.00 0.00 H new ATOM 0 HB ILE A 28 6.110 -2.994 -3.727 1.00 0.00 H new ATOM 0 HG12 ILE A 28 4.517 -3.618 -5.362 1.00 0.00 H new ATOM 0 HG13 ILE A 28 6.047 -3.283 -6.148 1.00 0.00 H new ATOM 0 HG21 ILE A 28 8.168 -3.639 -5.020 1.00 0.00 H new ATOM 0 HG22 ILE A 28 8.235 -4.186 -3.327 1.00 0.00 H new ATOM 0 HG23 ILE A 28 7.852 -5.344 -4.623 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.926 -5.187 -7.187 1.00 0.00 H new ATOM 0 HD12 ILE A 28 6.449 -5.705 -6.425 1.00 0.00 H new ATOM 0 HD13 ILE A 28 4.895 -6.044 -5.628 1.00 0.00 H new ATOM 439 N ILE A 29 6.304 -5.738 -0.852 1.00 0.00 N ATOM 440 CA ILE A 29 6.541 -5.622 0.589 1.00 0.00 C ATOM 441 C ILE A 29 8.029 -5.425 0.814 1.00 0.00 C ATOM 442 O ILE A 29 8.781 -6.397 0.808 1.00 0.00 O ATOM 443 CB ILE A 29 5.963 -6.816 1.381 1.00 0.00 C ATOM 444 CG1 ILE A 29 4.429 -6.820 1.255 1.00 0.00 C ATOM 445 CG2 ILE A 29 6.359 -6.733 2.870 1.00 0.00 C ATOM 446 CD1 ILE A 29 3.805 -8.139 1.705 1.00 0.00 C ATOM 0 H ILE A 29 6.397 -6.690 -1.207 1.00 0.00 H new ATOM 0 HA ILE A 29 6.007 -4.754 0.977 1.00 0.00 H new ATOM 0 HB ILE A 29 6.372 -7.737 0.967 1.00 0.00 H new ATOM 0 HG12 ILE A 29 4.017 -6.006 1.851 1.00 0.00 H new ATOM 0 HG13 ILE A 29 4.153 -6.627 0.218 1.00 0.00 H new ATOM 0 HG21 ILE A 29 5.940 -7.585 3.406 1.00 0.00 H new ATOM 0 HG22 ILE A 29 7.445 -6.747 2.959 1.00 0.00 H new ATOM 0 HG23 ILE A 29 5.972 -5.809 3.298 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.722 -8.085 1.595 1.00 0.00 H new ATOM 0 HD12 ILE A 29 4.192 -8.953 1.092 1.00 0.00 H new ATOM 0 HD13 ILE A 29 4.055 -8.322 2.750 1.00 0.00 H new ATOM 458 N TYR A 30 8.451 -4.177 0.994 1.00 0.00 N ATOM 459 CA TYR A 30 9.820 -3.843 1.336 1.00 0.00 C ATOM 460 C TYR A 30 9.985 -4.028 2.842 1.00 0.00 C ATOM 461 O TYR A 30 9.303 -3.388 3.646 1.00 0.00 O ATOM 462 CB TYR A 30 10.090 -2.381 0.968 1.00 0.00 C ATOM 463 CG TYR A 30 11.568 -2.045 0.960 1.00 0.00 C ATOM 464 CD1 TYR A 30 12.361 -2.432 -0.137 1.00 0.00 C ATOM 465 CD2 TYR A 30 12.161 -1.402 2.062 1.00 0.00 C ATOM 466 CE1 TYR A 30 13.743 -2.173 -0.138 1.00 0.00 C ATOM 467 CE2 TYR A 30 13.542 -1.131 2.064 1.00 0.00 C ATOM 468 CZ TYR A 30 14.336 -1.508 0.957 1.00 0.00 C ATOM 469 OH TYR A 30 15.666 -1.224 0.941 1.00 0.00 O ATOM 0 H TYR A 30 7.842 -3.364 0.904 1.00 0.00 H new ATOM 0 HA TYR A 30 10.519 -4.482 0.795 1.00 0.00 H new ATOM 0 HB2 TYR A 30 9.669 -2.174 -0.016 1.00 0.00 H new ATOM 0 HB3 TYR A 30 9.577 -1.731 1.677 1.00 0.00 H new ATOM 0 HD1 TYR A 30 11.906 -2.930 -0.981 1.00 0.00 H new ATOM 0 HD2 TYR A 30 11.555 -1.116 2.909 1.00 0.00 H new ATOM 0 HE1 TYR A 30 14.350 -2.483 -0.976 1.00 0.00 H new ATOM 0 HE2 TYR A 30 13.995 -0.636 2.910 1.00 0.00 H new ATOM 0 HH TYR A 30 15.912 -0.764 1.770 1.00 0.00 H new ATOM 479 N ASP A 31 10.862 -4.940 3.220 1.00 0.00 N ATOM 480 CA ASP A 31 11.304 -5.212 4.582 1.00 0.00 C ATOM 481 C ASP A 31 12.370 -4.202 4.993 1.00 0.00 C ATOM 482 O ASP A 31 13.446 -4.195 4.393 1.00 0.00 O ATOM 483 CB ASP A 31 11.909 -6.620 4.618 1.00 0.00 C ATOM 484 CG ASP A 31 11.023 -7.600 5.359 1.00 0.00 C ATOM 485 OD1 ASP A 31 11.194 -7.716 6.596 1.00 0.00 O ATOM 486 OD2 ASP A 31 10.153 -8.214 4.703 1.00 0.00 O ATOM 0 H ASP A 31 11.316 -5.552 2.542 1.00 0.00 H new ATOM 0 HA ASP A 31 10.460 -5.138 5.267 1.00 0.00 H new ATOM 0 HB2 ASP A 31 12.067 -6.973 3.599 1.00 0.00 H new ATOM 0 HB3 ASP A 31 12.887 -6.582 5.097 1.00 0.00 H new ATOM 491 N THR A 32 12.145 -3.382 6.027 1.00 0.00 N ATOM 492 CA THR A 32 13.164 -2.407 6.443 1.00 0.00 C ATOM 493 C THR A 32 14.117 -2.992 7.497 1.00 0.00 C ATOM 494 O THR A 32 14.660 -2.276 8.339 1.00 0.00 O ATOM 495 CB THR A 32 12.514 -1.082 6.855 1.00 0.00 C ATOM 496 OG1 THR A 32 11.616 -1.273 7.919 1.00 0.00 O ATOM 497 CG2 THR A 32 11.750 -0.432 5.696 1.00 0.00 C ATOM 0 H THR A 32 11.288 -3.371 6.580 1.00 0.00 H new ATOM 0 HA THR A 32 13.798 -2.179 5.586 1.00 0.00 H new ATOM 0 HB THR A 32 13.328 -0.424 7.161 1.00 0.00 H new ATOM 0 HG1 THR A 32 10.696 -1.205 7.587 1.00 0.00 H new ATOM 0 HG21 THR A 32 11.306 0.504 6.033 1.00 0.00 H new ATOM 0 HG22 THR A 32 12.437 -0.232 4.874 1.00 0.00 H new ATOM 0 HG23 THR A 32 10.963 -1.105 5.356 1.00 0.00 H new ATOM 505 N GLU A 33 14.315 -4.309 7.479 1.00 0.00 N ATOM 506 CA GLU A 33 15.522 -4.915 8.012 1.00 0.00 C ATOM 507 C GLU A 33 16.340 -5.164 6.782 1.00 0.00 C ATOM 508 O GLU A 33 17.108 -4.286 6.380 1.00 0.00 O ATOM 509 CB GLU A 33 15.280 -6.191 8.833 1.00 0.00 C ATOM 510 CG GLU A 33 15.017 -5.956 10.317 1.00 0.00 C ATOM 511 CD GLU A 33 15.283 -7.247 11.099 1.00 0.00 C ATOM 512 OE1 GLU A 33 14.515 -8.228 10.993 1.00 0.00 O ATOM 513 OE2 GLU A 33 16.334 -7.326 11.784 1.00 0.00 O ATOM 0 H GLU A 33 13.646 -4.977 7.097 1.00 0.00 H new ATOM 0 HA GLU A 33 16.015 -4.270 8.740 1.00 0.00 H new ATOM 0 HB2 GLU A 33 14.430 -6.724 8.408 1.00 0.00 H new ATOM 0 HB3 GLU A 33 16.148 -6.842 8.731 1.00 0.00 H new ATOM 0 HG2 GLU A 33 15.658 -5.156 10.688 1.00 0.00 H new ATOM 0 HG3 GLU A 33 13.986 -5.634 10.467 1.00 0.00 H new ATOM 520 N SER A 34 16.145 -6.307 6.135 1.00 0.00 N ATOM 521 CA SER A 34 17.244 -6.770 5.312 1.00 0.00 C ATOM 522 C SER A 34 17.053 -6.315 3.866 1.00 0.00 C ATOM 523 O SER A 34 17.518 -6.982 2.941 1.00 0.00 O ATOM 524 CB SER A 34 17.194 -8.299 5.368 1.00 0.00 C ATOM 525 OG SER A 34 17.512 -8.819 6.642 1.00 0.00 O ATOM 0 H SER A 34 15.307 -6.887 6.159 1.00 0.00 H new ATOM 0 HA SER A 34 18.195 -6.374 5.667 1.00 0.00 H new ATOM 0 HB2 SER A 34 16.196 -8.634 5.084 1.00 0.00 H new ATOM 0 HB3 SER A 34 17.888 -8.706 4.633 1.00 0.00 H new ATOM 0 HG SER A 34 17.462 -9.797 6.618 1.00 0.00 H new ATOM 531 N GLY A 35 16.495 -5.117 3.666 1.00 0.00 N ATOM 532 CA GLY A 35 15.932 -4.653 2.405 1.00 0.00 C ATOM 533 C GLY A 35 15.398 -5.779 1.510 1.00 0.00 C ATOM 534 O GLY A 35 15.630 -5.747 0.297 1.00 0.00 O ATOM 0 H GLY A 35 16.423 -4.422 4.409 1.00 0.00 H new ATOM 0 HA2 GLY A 35 15.122 -3.955 2.615 1.00 0.00 H new ATOM 0 HA3 GLY A 35 16.696 -4.100 1.859 1.00 0.00 H new ATOM 538 N ASN A 36 14.756 -6.806 2.083 1.00 0.00 N ATOM 539 CA ASN A 36 14.103 -7.832 1.278 1.00 0.00 C ATOM 540 C ASN A 36 12.919 -7.143 0.621 1.00 0.00 C ATOM 541 O ASN A 36 12.369 -6.169 1.147 1.00 0.00 O ATOM 542 CB ASN A 36 13.609 -9.045 2.101 1.00 0.00 C ATOM 543 CG ASN A 36 14.678 -9.920 2.733 1.00 0.00 C ATOM 544 OD1 ASN A 36 14.703 -10.076 3.949 1.00 0.00 O ATOM 545 ND2 ASN A 36 15.535 -10.563 1.968 1.00 0.00 N ATOM 0 H ASN A 36 14.678 -6.943 3.091 1.00 0.00 H new ATOM 0 HA ASN A 36 14.817 -8.241 0.563 1.00 0.00 H new ATOM 0 HB2 ASN A 36 12.958 -8.676 2.894 1.00 0.00 H new ATOM 0 HB3 ASN A 36 12.997 -9.671 1.451 1.00 0.00 H new ATOM 0 HD21 ASN A 36 16.221 -11.192 2.387 1.00 0.00 H new ATOM 0 HD22 ASN A 36 15.513 -10.433 0.957 1.00 0.00 H new ATOM 552 N VAL A 37 12.487 -7.688 -0.501 1.00 0.00 N ATOM 553 CA VAL A 37 11.228 -7.360 -1.108 1.00 0.00 C ATOM 554 C VAL A 37 10.502 -8.677 -1.390 1.00 0.00 C ATOM 555 O VAL A 37 11.064 -9.769 -1.254 1.00 0.00 O ATOM 556 CB VAL A 37 11.409 -6.443 -2.335 1.00 0.00 C ATOM 557 CG1 VAL A 37 10.207 -5.490 -2.397 1.00 0.00 C ATOM 558 CG2 VAL A 37 12.653 -5.542 -2.327 1.00 0.00 C ATOM 0 H VAL A 37 13.020 -8.386 -1.021 1.00 0.00 H new ATOM 0 HA VAL A 37 10.604 -6.766 -0.440 1.00 0.00 H new ATOM 0 HB VAL A 37 11.510 -7.124 -3.180 1.00 0.00 H new ATOM 0 HG11 VAL A 37 10.311 -4.829 -3.258 1.00 0.00 H new ATOM 0 HG12 VAL A 37 9.288 -6.069 -2.492 1.00 0.00 H new ATOM 0 HG13 VAL A 37 10.168 -4.894 -1.485 1.00 0.00 H new ATOM 0 HG21 VAL A 37 12.675 -4.943 -3.238 1.00 0.00 H new ATOM 0 HG22 VAL A 37 12.619 -4.882 -1.460 1.00 0.00 H new ATOM 0 HG23 VAL A 37 13.550 -6.160 -2.278 1.00 0.00 H new ATOM 568 N GLU A 38 9.236 -8.580 -1.764 1.00 0.00 N ATOM 569 CA GLU A 38 8.340 -9.674 -2.071 1.00 0.00 C ATOM 570 C GLU A 38 7.288 -9.072 -2.997 1.00 0.00 C ATOM 571 O GLU A 38 6.847 -7.955 -2.717 1.00 0.00 O ATOM 572 CB GLU A 38 7.720 -10.126 -0.738 1.00 0.00 C ATOM 573 CG GLU A 38 6.593 -11.143 -0.889 1.00 0.00 C ATOM 574 CD GLU A 38 7.138 -12.460 -1.426 1.00 0.00 C ATOM 575 OE1 GLU A 38 7.781 -13.202 -0.653 1.00 0.00 O ATOM 576 OE2 GLU A 38 6.973 -12.723 -2.640 1.00 0.00 O ATOM 0 H GLU A 38 8.781 -7.673 -1.867 1.00 0.00 H new ATOM 0 HA GLU A 38 8.815 -10.533 -2.544 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.502 -10.557 -0.113 1.00 0.00 H new ATOM 0 HB3 GLU A 38 7.338 -9.251 -0.212 1.00 0.00 H new ATOM 0 HG2 GLU A 38 6.111 -11.307 0.075 1.00 0.00 H new ATOM 0 HG3 GLU A 38 5.831 -10.754 -1.565 1.00 0.00 H new ATOM 583 N VAL A 39 6.833 -9.779 -4.032 1.00 0.00 N ATOM 584 CA VAL A 39 5.757 -9.317 -4.913 1.00 0.00 C ATOM 585 C VAL A 39 4.556 -10.229 -4.690 1.00 0.00 C ATOM 586 O VAL A 39 4.536 -11.383 -5.117 1.00 0.00 O ATOM 587 CB VAL A 39 6.179 -9.270 -6.393 1.00 0.00 C ATOM 588 CG1 VAL A 39 5.011 -8.792 -7.285 1.00 0.00 C ATOM 589 CG2 VAL A 39 7.399 -8.351 -6.573 1.00 0.00 C ATOM 0 H VAL A 39 7.203 -10.695 -4.285 1.00 0.00 H new ATOM 0 HA VAL A 39 5.500 -8.287 -4.664 1.00 0.00 H new ATOM 0 HB VAL A 39 6.452 -10.280 -6.701 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.334 -8.767 -8.326 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.170 -9.478 -7.182 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.703 -7.793 -6.977 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.685 -8.328 -7.624 1.00 0.00 H new ATOM 0 HG22 VAL A 39 7.147 -7.343 -6.244 1.00 0.00 H new ATOM 0 HG23 VAL A 39 8.231 -8.730 -5.979 1.00 0.00 H new ATOM 599 N VAL A 40 3.540 -9.691 -4.038 1.00 0.00 N ATOM 600 CA VAL A 40 2.194 -10.210 -4.051 1.00 0.00 C ATOM 601 C VAL A 40 1.555 -9.743 -5.359 1.00 0.00 C ATOM 602 O VAL A 40 1.785 -8.626 -5.823 1.00 0.00 O ATOM 603 CB VAL A 40 1.478 -9.682 -2.788 1.00 0.00 C ATOM 604 CG1 VAL A 40 -0.031 -9.460 -2.943 1.00 0.00 C ATOM 605 CG2 VAL A 40 1.750 -10.622 -1.606 1.00 0.00 C ATOM 0 H VAL A 40 3.639 -8.852 -3.467 1.00 0.00 H new ATOM 0 HA VAL A 40 2.138 -11.298 -4.020 1.00 0.00 H new ATOM 0 HB VAL A 40 1.898 -8.693 -2.607 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.443 -9.089 -2.004 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.212 -8.730 -3.732 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.513 -10.403 -3.203 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.243 -10.245 -0.718 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.378 -11.619 -1.841 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.823 -10.670 -1.419 1.00 0.00 H new ATOM 615 N GLU A 41 0.701 -10.599 -5.900 1.00 0.00 N ATOM 616 CA GLU A 41 -0.261 -10.369 -6.960 1.00 0.00 C ATOM 617 C GLU A 41 -1.627 -10.420 -6.256 1.00 0.00 C ATOM 618 O GLU A 41 -1.853 -11.310 -5.418 1.00 0.00 O ATOM 619 CB GLU A 41 -0.041 -11.510 -7.967 1.00 0.00 C ATOM 620 CG GLU A 41 -1.193 -11.810 -8.932 1.00 0.00 C ATOM 621 CD GLU A 41 -1.266 -13.320 -9.176 1.00 0.00 C ATOM 622 OE1 GLU A 41 -1.877 -14.020 -8.339 1.00 0.00 O ATOM 623 OE2 GLU A 41 -0.644 -13.821 -10.145 1.00 0.00 O ATOM 0 H GLU A 41 0.663 -11.565 -5.574 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.178 -9.426 -7.500 1.00 0.00 H new ATOM 0 HB2 GLU A 41 0.845 -11.276 -8.557 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.180 -12.419 -7.408 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -2.134 -11.451 -8.516 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -1.040 -11.284 -9.875 1.00 0.00 H new ATOM 630 N ASN A 42 -2.518 -9.465 -6.537 1.00 0.00 N ATOM 631 CA ASN A 42 -3.831 -9.363 -5.902 1.00 0.00 C ATOM 632 C ASN A 42 -4.785 -8.640 -6.847 1.00 0.00 C ATOM 633 O ASN A 42 -4.587 -7.466 -7.163 1.00 0.00 O ATOM 634 CB ASN A 42 -3.723 -8.640 -4.553 1.00 0.00 C ATOM 635 CG ASN A 42 -4.801 -9.118 -3.604 1.00 0.00 C ATOM 636 OD1 ASN A 42 -5.971 -8.797 -3.752 1.00 0.00 O ATOM 637 ND2 ASN A 42 -4.448 -9.913 -2.612 1.00 0.00 N ATOM 0 H ASN A 42 -2.343 -8.731 -7.223 1.00 0.00 H new ATOM 0 HA ASN A 42 -4.222 -10.361 -5.703 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -2.741 -8.819 -4.116 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -3.814 -7.564 -4.703 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -5.153 -10.263 -1.963 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -3.470 -10.177 -2.494 1.00 0.00 H new ATOM 644 N THR A 43 -5.781 -9.349 -7.363 1.00 0.00 N ATOM 645 CA THR A 43 -6.447 -9.009 -8.614 1.00 0.00 C ATOM 646 C THR A 43 -7.923 -8.689 -8.359 1.00 0.00 C ATOM 647 O THR A 43 -8.828 -9.288 -8.949 1.00 0.00 O ATOM 648 CB THR A 43 -6.174 -10.161 -9.599 1.00 0.00 C ATOM 649 OG1 THR A 43 -6.421 -11.402 -8.966 1.00 0.00 O ATOM 650 CG2 THR A 43 -4.703 -10.147 -10.036 1.00 0.00 C ATOM 0 H THR A 43 -6.154 -10.188 -6.918 1.00 0.00 H new ATOM 0 HA THR A 43 -6.058 -8.098 -9.069 1.00 0.00 H new ATOM 0 HB THR A 43 -6.827 -10.032 -10.462 1.00 0.00 H new ATOM 0 HG1 THR A 43 -6.248 -12.131 -9.597 1.00 0.00 H new ATOM 0 HG21 THR A 43 -4.522 -10.966 -10.732 1.00 0.00 H new ATOM 0 HG22 THR A 43 -4.478 -9.199 -10.525 1.00 0.00 H new ATOM 0 HG23 THR A 43 -4.063 -10.266 -9.162 1.00 0.00 H new ATOM 658 N ILE A 44 -8.171 -7.729 -7.462 1.00 0.00 N ATOM 659 CA ILE A 44 -9.491 -7.428 -6.935 1.00 0.00 C ATOM 660 C ILE A 44 -10.304 -6.598 -7.931 1.00 0.00 C ATOM 661 O ILE A 44 -10.181 -5.375 -7.967 1.00 0.00 O ATOM 662 CB ILE A 44 -9.349 -6.713 -5.576 1.00 0.00 C ATOM 663 CG1 ILE A 44 -8.306 -5.585 -5.512 1.00 0.00 C ATOM 664 CG2 ILE A 44 -9.014 -7.708 -4.500 1.00 0.00 C ATOM 665 CD1 ILE A 44 -6.893 -5.802 -4.935 1.00 0.00 C ATOM 0 H ILE A 44 -7.439 -7.131 -7.079 1.00 0.00 H new ATOM 0 HA ILE A 44 -10.038 -8.358 -6.781 1.00 0.00 H new ATOM 0 HB ILE A 44 -10.321 -6.242 -5.427 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -8.175 -5.221 -6.531 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -8.757 -4.774 -4.940 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -8.916 -7.192 -3.545 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -9.809 -8.451 -4.431 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -8.074 -8.204 -4.743 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -6.330 -4.870 -4.991 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -6.969 -6.118 -3.895 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -6.379 -6.572 -5.511 1.00 0.00 H new ATOM 677 N ALA A 45 -11.200 -7.219 -8.696 1.00 0.00 N ATOM 678 CA ALA A 45 -11.981 -6.538 -9.731 1.00 0.00 C ATOM 679 C ALA A 45 -13.487 -6.760 -9.546 1.00 0.00 C ATOM 680 O ALA A 45 -14.218 -6.955 -10.515 1.00 0.00 O ATOM 681 CB ALA A 45 -11.490 -7.015 -11.095 1.00 0.00 C ATOM 0 H ALA A 45 -11.407 -8.215 -8.616 1.00 0.00 H new ATOM 0 HA ALA A 45 -11.833 -5.461 -9.653 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -12.060 -6.519 -11.881 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -10.433 -6.774 -11.206 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -11.626 -8.094 -11.174 1.00 0.00 H new ATOM 687 N ASP A 46 -13.970 -6.743 -8.307 1.00 0.00 N ATOM 688 CA ASP A 46 -15.355 -7.027 -7.938 1.00 0.00 C ATOM 689 C ASP A 46 -15.616 -6.427 -6.549 1.00 0.00 C ATOM 690 O ASP A 46 -14.697 -6.389 -5.720 1.00 0.00 O ATOM 691 CB ASP A 46 -15.559 -8.551 -7.965 1.00 0.00 C ATOM 692 CG ASP A 46 -16.540 -9.009 -6.901 1.00 0.00 C ATOM 693 OD1 ASP A 46 -17.765 -8.913 -7.158 1.00 0.00 O ATOM 694 OD2 ASP A 46 -16.072 -9.453 -5.835 1.00 0.00 O ATOM 0 H ASP A 46 -13.385 -6.523 -7.501 1.00 0.00 H new ATOM 0 HA ASP A 46 -16.064 -6.581 -8.635 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -15.923 -8.851 -8.948 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -14.601 -9.048 -7.814 1.00 0.00 H new ATOM 699 N ALA A 47 -16.839 -5.954 -6.281 1.00 0.00 N ATOM 700 CA ALA A 47 -17.145 -5.113 -5.123 1.00 0.00 C ATOM 701 C ALA A 47 -17.976 -5.843 -4.060 1.00 0.00 C ATOM 702 O ALA A 47 -18.811 -5.216 -3.397 1.00 0.00 O ATOM 703 CB ALA A 47 -17.897 -3.870 -5.626 1.00 0.00 C ATOM 0 H ALA A 47 -17.650 -6.147 -6.869 1.00 0.00 H new ATOM 0 HA ALA A 47 -16.209 -4.837 -4.638 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -18.138 -3.224 -4.782 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -17.269 -3.326 -6.332 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -18.818 -4.178 -6.122 1.00 0.00 H new ATOM 709 N HIS A 48 -17.711 -7.128 -3.819 1.00 0.00 N ATOM 710 CA HIS A 48 -18.514 -7.959 -2.926 1.00 0.00 C ATOM 711 C HIS A 48 -17.582 -8.688 -1.962 1.00 0.00 C ATOM 712 O HIS A 48 -17.283 -9.870 -2.153 1.00 0.00 O ATOM 713 CB HIS A 48 -19.389 -8.904 -3.760 1.00 0.00 C ATOM 714 CG HIS A 48 -20.315 -8.170 -4.689 1.00 0.00 C ATOM 715 ND1 HIS A 48 -20.117 -7.991 -6.036 1.00 0.00 N ATOM 716 CD2 HIS A 48 -21.468 -7.523 -4.345 1.00 0.00 C ATOM 717 CE1 HIS A 48 -21.132 -7.246 -6.500 1.00 0.00 C ATOM 718 NE2 HIS A 48 -21.976 -6.925 -5.502 1.00 0.00 N ATOM 0 H HIS A 48 -16.926 -7.623 -4.242 1.00 0.00 H new ATOM 0 HA HIS A 48 -19.193 -7.355 -2.324 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -18.748 -9.567 -4.341 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -19.976 -9.534 -3.091 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -19.339 -8.358 -6.585 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -21.907 -7.481 -3.359 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -21.255 -6.946 -7.530 1.00 0.00 H new ATOM 726 N GLY A 49 -17.104 -7.971 -0.942 1.00 0.00 N ATOM 727 CA GLY A 49 -16.067 -8.384 -0.008 1.00 0.00 C ATOM 728 C GLY A 49 -16.541 -8.235 1.437 1.00 0.00 C ATOM 729 O GLY A 49 -16.574 -7.124 1.972 1.00 0.00 O ATOM 0 H GLY A 49 -17.454 -7.035 -0.739 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -15.792 -9.421 -0.199 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -15.171 -7.783 -0.165 1.00 0.00 H new ATOM 733 N THR A 50 -16.894 -9.349 2.074 1.00 0.00 N ATOM 734 CA THR A 50 -17.278 -9.423 3.485 1.00 0.00 C ATOM 735 C THR A 50 -16.054 -9.442 4.429 1.00 0.00 C ATOM 736 O THR A 50 -16.188 -9.265 5.644 1.00 0.00 O ATOM 737 CB THR A 50 -18.191 -10.652 3.645 1.00 0.00 C ATOM 738 OG1 THR A 50 -18.812 -10.683 4.910 1.00 0.00 O ATOM 739 CG2 THR A 50 -17.447 -11.975 3.442 1.00 0.00 C ATOM 0 H THR A 50 -16.922 -10.256 1.608 1.00 0.00 H new ATOM 0 HA THR A 50 -17.822 -8.526 3.779 1.00 0.00 H new ATOM 0 HB THR A 50 -18.945 -10.549 2.865 1.00 0.00 H new ATOM 0 HG1 THR A 50 -18.247 -10.220 5.563 1.00 0.00 H new ATOM 0 HG21 THR A 50 -18.141 -12.806 3.567 1.00 0.00 H new ATOM 0 HG22 THR A 50 -17.023 -12.004 2.438 1.00 0.00 H new ATOM 0 HG23 THR A 50 -16.646 -12.058 4.176 1.00 0.00 H new ATOM 747 N GLY A 51 -14.845 -9.623 3.897 1.00 0.00 N ATOM 748 CA GLY A 51 -13.593 -9.541 4.631 1.00 0.00 C ATOM 749 C GLY A 51 -12.501 -8.960 3.734 1.00 0.00 C ATOM 750 O GLY A 51 -12.679 -8.856 2.513 1.00 0.00 O ATOM 0 H GLY A 51 -14.712 -9.838 2.909 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -13.720 -8.916 5.515 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -13.300 -10.531 4.980 1.00 0.00 H new ATOM 754 N PRO A 52 -11.350 -8.586 4.311 1.00 0.00 N ATOM 755 CA PRO A 52 -10.398 -7.689 3.673 1.00 0.00 C ATOM 756 C PRO A 52 -9.625 -8.322 2.550 1.00 0.00 C ATOM 757 O PRO A 52 -9.340 -7.608 1.588 1.00 0.00 O ATOM 758 CB PRO A 52 -9.417 -7.302 4.760 1.00 0.00 C ATOM 759 CG PRO A 52 -9.461 -8.473 5.741 1.00 0.00 C ATOM 760 CD PRO A 52 -10.910 -8.946 5.652 1.00 0.00 C ATOM 0 HA PRO A 52 -10.942 -6.852 3.235 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -8.414 -7.157 4.358 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -9.705 -6.368 5.242 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -8.762 -9.261 5.460 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -9.200 -8.161 6.752 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -10.983 -10.021 5.815 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -11.528 -8.466 6.411 1.00 0.00 H new ATOM 768 N LYS A 53 -9.285 -9.613 2.674 1.00 0.00 N ATOM 769 CA LYS A 53 -8.664 -10.423 1.636 1.00 0.00 C ATOM 770 C LYS A 53 -7.243 -9.948 1.291 1.00 0.00 C ATOM 771 O LYS A 53 -6.289 -10.616 1.684 1.00 0.00 O ATOM 772 CB LYS A 53 -9.698 -10.497 0.505 1.00 0.00 C ATOM 773 CG LYS A 53 -9.247 -11.064 -0.826 1.00 0.00 C ATOM 774 CD LYS A 53 -10.445 -11.061 -1.778 1.00 0.00 C ATOM 775 CE LYS A 53 -11.002 -9.650 -2.050 1.00 0.00 C ATOM 776 NZ LYS A 53 -11.998 -9.713 -3.142 1.00 0.00 N ATOM 0 H LYS A 53 -9.444 -10.134 3.536 1.00 0.00 H new ATOM 0 HA LYS A 53 -8.444 -11.444 1.947 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -10.538 -11.096 0.857 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -10.076 -9.490 0.330 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -8.433 -10.467 -1.237 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -8.866 -12.077 -0.698 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -10.150 -11.517 -2.723 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -11.236 -11.682 -1.358 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -11.462 -9.249 -1.147 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -10.191 -8.974 -2.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -12.373 -8.760 -3.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -11.545 -10.078 -4.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -12.777 -10.345 -2.866 1.00 0.00 H new ATOM 790 N VAL A 54 -7.083 -8.771 0.683 1.00 0.00 N ATOM 791 CA VAL A 54 -5.802 -8.103 0.467 1.00 0.00 C ATOM 792 C VAL A 54 -5.101 -7.943 1.820 1.00 0.00 C ATOM 793 O VAL A 54 -4.032 -8.499 2.048 1.00 0.00 O ATOM 794 CB VAL A 54 -5.970 -6.777 -0.335 1.00 0.00 C ATOM 795 CG1 VAL A 54 -7.352 -6.111 -0.275 1.00 0.00 C ATOM 796 CG2 VAL A 54 -4.932 -5.703 0.011 1.00 0.00 C ATOM 0 H VAL A 54 -7.872 -8.239 0.315 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.156 -8.713 -0.165 1.00 0.00 H new ATOM 0 HB VAL A 54 -5.820 -7.146 -1.350 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.342 -5.199 -0.871 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -8.103 -6.795 -0.670 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -7.593 -5.866 0.759 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.117 -4.812 -0.589 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.008 -5.451 1.069 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -3.932 -6.082 -0.200 1.00 0.00 H new ATOM 806 N VAL A 55 -5.733 -7.196 2.727 1.00 0.00 N ATOM 807 CA VAL A 55 -5.223 -6.851 4.052 1.00 0.00 C ATOM 808 C VAL A 55 -4.926 -8.122 4.815 1.00 0.00 C ATOM 809 O VAL A 55 -3.810 -8.212 5.286 1.00 0.00 O ATOM 810 CB VAL A 55 -6.172 -5.845 4.753 1.00 0.00 C ATOM 811 CG1 VAL A 55 -5.449 -4.917 5.714 1.00 0.00 C ATOM 812 CG2 VAL A 55 -6.931 -4.934 3.757 1.00 0.00 C ATOM 0 H VAL A 55 -6.655 -6.798 2.548 1.00 0.00 H new ATOM 0 HA VAL A 55 -4.273 -6.320 3.990 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.869 -6.487 5.292 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.167 -4.237 6.173 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -4.960 -5.506 6.490 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.700 -4.341 5.170 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.579 -4.252 4.308 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -6.214 -4.359 3.171 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -7.535 -5.549 3.090 1.00 0.00 H new ATOM 822 N GLN A 56 -5.807 -9.129 4.816 1.00 0.00 N ATOM 823 CA GLN A 56 -5.528 -10.432 5.417 1.00 0.00 C ATOM 824 C GLN A 56 -4.126 -10.947 5.034 1.00 0.00 C ATOM 825 O GLN A 56 -3.317 -11.230 5.914 1.00 0.00 O ATOM 826 CB GLN A 56 -6.643 -11.437 5.056 1.00 0.00 C ATOM 827 CG GLN A 56 -7.634 -11.648 6.215 1.00 0.00 C ATOM 828 CD GLN A 56 -7.109 -12.597 7.292 1.00 0.00 C ATOM 829 OE1 GLN A 56 -5.909 -12.768 7.474 1.00 0.00 O ATOM 830 NE2 GLN A 56 -7.982 -13.222 8.063 1.00 0.00 N ATOM 0 H GLN A 56 -6.735 -9.060 4.398 1.00 0.00 H new ATOM 0 HA GLN A 56 -5.523 -10.318 6.501 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -7.183 -11.079 4.179 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -6.194 -12.393 4.785 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -7.862 -10.684 6.669 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -8.569 -12.042 5.817 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -8.982 -13.084 7.917 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -7.656 -13.842 8.804 1.00 0.00 H new ATOM 839 N SER A 57 -3.809 -11.009 3.737 1.00 0.00 N ATOM 840 CA SER A 57 -2.525 -11.513 3.260 1.00 0.00 C ATOM 841 C SER A 57 -1.351 -10.608 3.650 1.00 0.00 C ATOM 842 O SER A 57 -0.305 -11.091 4.082 1.00 0.00 O ATOM 843 CB SER A 57 -2.599 -11.655 1.734 1.00 0.00 C ATOM 844 OG SER A 57 -1.542 -12.434 1.210 1.00 0.00 O ATOM 0 H SER A 57 -4.438 -10.710 2.991 1.00 0.00 H new ATOM 0 HA SER A 57 -2.340 -12.478 3.733 1.00 0.00 H new ATOM 0 HB2 SER A 57 -3.551 -12.110 1.461 1.00 0.00 H new ATOM 0 HB3 SER A 57 -2.576 -10.665 1.279 1.00 0.00 H new ATOM 0 HG SER A 57 -1.633 -12.497 0.236 1.00 0.00 H new ATOM 850 N LEU A 58 -1.490 -9.292 3.490 1.00 0.00 N ATOM 851 CA LEU A 58 -0.390 -8.367 3.762 1.00 0.00 C ATOM 852 C LEU A 58 -0.065 -8.360 5.256 1.00 0.00 C ATOM 853 O LEU A 58 1.092 -8.398 5.663 1.00 0.00 O ATOM 854 CB LEU A 58 -0.762 -6.964 3.276 1.00 0.00 C ATOM 855 CG LEU A 58 -1.012 -6.868 1.761 1.00 0.00 C ATOM 856 CD1 LEU A 58 -1.506 -5.457 1.455 1.00 0.00 C ATOM 857 CD2 LEU A 58 0.232 -7.169 0.926 1.00 0.00 C ATOM 0 H LEU A 58 -2.350 -8.844 3.175 1.00 0.00 H new ATOM 0 HA LEU A 58 0.499 -8.695 3.224 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.658 -6.635 3.802 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.038 -6.274 3.546 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.752 -7.622 1.492 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.692 -5.360 0.385 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.430 -5.268 2.002 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.750 -4.733 1.759 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.011 -7.084 -0.133 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.019 -6.457 1.176 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.577 -8.181 1.139 1.00 0.00 H new ATOM 869 N VAL A 59 -1.097 -8.373 6.086 1.00 0.00 N ATOM 870 CA VAL A 59 -1.026 -8.520 7.526 1.00 0.00 C ATOM 871 C VAL A 59 -0.389 -9.869 7.895 1.00 0.00 C ATOM 872 O VAL A 59 0.365 -9.930 8.870 1.00 0.00 O ATOM 873 CB VAL A 59 -2.464 -8.327 8.044 1.00 0.00 C ATOM 874 CG1 VAL A 59 -2.699 -8.859 9.459 1.00 0.00 C ATOM 875 CG2 VAL A 59 -2.825 -6.831 8.031 1.00 0.00 C ATOM 0 H VAL A 59 -2.056 -8.276 5.752 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.381 -7.780 8.000 1.00 0.00 H new ATOM 0 HB VAL A 59 -3.096 -8.906 7.371 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -3.736 -8.683 9.746 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.492 -9.929 9.485 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -2.037 -8.344 10.156 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -3.843 -6.699 8.398 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -2.134 -6.284 8.673 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -2.754 -6.448 7.013 1.00 0.00 H new ATOM 885 N SER A 60 -0.609 -10.934 7.115 1.00 0.00 N ATOM 886 CA SER A 60 0.112 -12.188 7.292 1.00 0.00 C ATOM 887 C SER A 60 1.613 -12.084 6.972 1.00 0.00 C ATOM 888 O SER A 60 2.378 -12.950 7.397 1.00 0.00 O ATOM 889 CB SER A 60 -0.521 -13.303 6.454 1.00 0.00 C ATOM 890 OG SER A 60 -1.700 -13.760 7.077 1.00 0.00 O ATOM 0 H SER A 60 -1.286 -10.946 6.352 1.00 0.00 H new ATOM 0 HA SER A 60 0.030 -12.430 8.352 1.00 0.00 H new ATOM 0 HB2 SER A 60 -0.747 -12.934 5.454 1.00 0.00 H new ATOM 0 HB3 SER A 60 0.183 -14.127 6.338 1.00 0.00 H new ATOM 0 HG SER A 60 -2.440 -13.155 6.861 1.00 0.00 H new ATOM 896 N LYS A 61 2.068 -11.037 6.276 1.00 0.00 N ATOM 897 CA LYS A 61 3.490 -10.738 6.109 1.00 0.00 C ATOM 898 C LYS A 61 3.878 -9.565 7.011 1.00 0.00 C ATOM 899 O LYS A 61 4.755 -8.781 6.655 1.00 0.00 O ATOM 900 CB LYS A 61 3.734 -10.413 4.622 1.00 0.00 C ATOM 901 CG LYS A 61 3.725 -11.649 3.708 1.00 0.00 C ATOM 902 CD LYS A 61 2.735 -11.593 2.531 1.00 0.00 C ATOM 903 CE LYS A 61 3.360 -12.110 1.226 1.00 0.00 C ATOM 904 NZ LYS A 61 3.821 -13.514 1.298 1.00 0.00 N ATOM 0 H LYS A 61 1.453 -10.370 5.810 1.00 0.00 H new ATOM 0 HA LYS A 61 4.107 -11.589 6.396 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.969 -9.715 4.282 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.694 -9.906 4.523 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.729 -11.792 3.309 1.00 0.00 H new ATOM 0 HG3 LYS A 61 3.494 -12.526 4.313 1.00 0.00 H new ATOM 0 HD2 LYS A 61 1.853 -12.187 2.771 1.00 0.00 H new ATOM 0 HD3 LYS A 61 2.398 -10.566 2.389 1.00 0.00 H new ATOM 0 HE2 LYS A 61 2.629 -12.019 0.423 1.00 0.00 H new ATOM 0 HE3 LYS A 61 4.205 -11.474 0.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 4.230 -13.792 0.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 4.542 -13.605 2.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 3.015 -14.133 1.520 1.00 0.00 H new ATOM 918 N GLY A 62 3.314 -9.488 8.221 1.00 0.00 N ATOM 919 CA GLY A 62 3.640 -8.491 9.234 1.00 0.00 C ATOM 920 C GLY A 62 3.766 -7.064 8.689 1.00 0.00 C ATOM 921 O GLY A 62 4.643 -6.324 9.138 1.00 0.00 O ATOM 0 H GLY A 62 2.594 -10.142 8.528 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.870 -8.507 10.006 1.00 0.00 H new ATOM 0 HA3 GLY A 62 4.578 -8.769 9.714 1.00 0.00 H new ATOM 925 N VAL A 63 2.980 -6.687 7.680 1.00 0.00 N ATOM 926 CA VAL A 63 3.043 -5.365 7.080 1.00 0.00 C ATOM 927 C VAL A 63 2.357 -4.395 8.034 1.00 0.00 C ATOM 928 O VAL A 63 1.124 -4.375 8.095 1.00 0.00 O ATOM 929 CB VAL A 63 2.374 -5.394 5.699 1.00 0.00 C ATOM 930 CG1 VAL A 63 2.251 -4.005 5.083 1.00 0.00 C ATOM 931 CG2 VAL A 63 3.167 -6.222 4.691 1.00 0.00 C ATOM 0 H VAL A 63 2.280 -7.297 7.258 1.00 0.00 H new ATOM 0 HA VAL A 63 4.072 -5.042 6.926 1.00 0.00 H new ATOM 0 HB VAL A 63 1.392 -5.829 5.884 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.771 -4.081 4.107 1.00 0.00 H new ATOM 0 HG12 VAL A 63 1.650 -3.370 5.734 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.243 -3.569 4.967 1.00 0.00 H new ATOM 0 HG21 VAL A 63 2.654 -6.213 3.729 1.00 0.00 H new ATOM 0 HG22 VAL A 63 4.164 -5.797 4.575 1.00 0.00 H new ATOM 0 HG23 VAL A 63 3.250 -7.248 5.048 1.00 0.00 H new ATOM 941 N GLU A 64 3.132 -3.559 8.732 1.00 0.00 N ATOM 942 CA GLU A 64 2.548 -2.525 9.581 1.00 0.00 C ATOM 943 C GLU A 64 2.760 -1.144 8.952 1.00 0.00 C ATOM 944 O GLU A 64 2.810 -0.144 9.664 1.00 0.00 O ATOM 945 CB GLU A 64 3.240 -2.549 10.961 1.00 0.00 C ATOM 946 CG GLU A 64 3.628 -3.930 11.499 1.00 0.00 C ATOM 947 CD GLU A 64 3.966 -3.828 12.980 1.00 0.00 C ATOM 948 OE1 GLU A 64 5.127 -3.498 13.316 1.00 0.00 O ATOM 949 OE2 GLU A 64 3.081 -4.042 13.834 1.00 0.00 O ATOM 0 H GLU A 64 4.152 -3.579 8.725 1.00 0.00 H new ATOM 0 HA GLU A 64 1.480 -2.717 9.687 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.141 -1.938 10.903 1.00 0.00 H new ATOM 0 HB3 GLU A 64 2.578 -2.073 11.685 1.00 0.00 H new ATOM 0 HG2 GLU A 64 2.808 -4.632 11.351 1.00 0.00 H new ATOM 0 HG3 GLU A 64 4.484 -4.319 10.947 1.00 0.00 H new ATOM 956 N TYR A 65 2.720 -1.024 7.624 1.00 0.00 N ATOM 957 CA TYR A 65 3.239 0.148 6.928 1.00 0.00 C ATOM 958 C TYR A 65 2.779 0.086 5.465 1.00 0.00 C ATOM 959 O TYR A 65 2.559 -0.994 4.908 1.00 0.00 O ATOM 960 CB TYR A 65 4.777 0.159 7.076 1.00 0.00 C ATOM 961 CG TYR A 65 5.363 1.242 7.967 1.00 0.00 C ATOM 962 CD1 TYR A 65 5.496 0.998 9.343 1.00 0.00 C ATOM 963 CD2 TYR A 65 5.794 2.478 7.446 1.00 0.00 C ATOM 964 CE1 TYR A 65 6.031 1.966 10.200 1.00 0.00 C ATOM 965 CE2 TYR A 65 6.360 3.452 8.300 1.00 0.00 C ATOM 966 CZ TYR A 65 6.489 3.196 9.687 1.00 0.00 C ATOM 967 OH TYR A 65 7.022 4.105 10.556 1.00 0.00 O ATOM 0 H TYR A 65 2.328 -1.734 7.006 1.00 0.00 H new ATOM 0 HA TYR A 65 2.861 1.079 7.351 1.00 0.00 H new ATOM 0 HB2 TYR A 65 5.090 -0.810 7.465 1.00 0.00 H new ATOM 0 HB3 TYR A 65 5.215 0.260 6.083 1.00 0.00 H new ATOM 0 HD1 TYR A 65 5.180 0.047 9.747 1.00 0.00 H new ATOM 0 HD2 TYR A 65 5.692 2.682 6.390 1.00 0.00 H new ATOM 0 HE1 TYR A 65 6.093 1.770 11.260 1.00 0.00 H new ATOM 0 HE2 TYR A 65 6.695 4.395 7.893 1.00 0.00 H new ATOM 0 HH TYR A 65 7.297 4.906 10.063 1.00 0.00 H new ATOM 977 N LEU A 66 2.621 1.229 4.799 1.00 0.00 N ATOM 978 CA LEU A 66 1.987 1.301 3.486 1.00 0.00 C ATOM 979 C LEU A 66 2.272 2.671 2.868 1.00 0.00 C ATOM 980 O LEU A 66 2.263 3.677 3.572 1.00 0.00 O ATOM 981 CB LEU A 66 0.479 1.070 3.706 1.00 0.00 C ATOM 982 CG LEU A 66 -0.430 1.451 2.545 1.00 0.00 C ATOM 983 CD1 LEU A 66 -0.192 0.671 1.258 1.00 0.00 C ATOM 984 CD2 LEU A 66 -1.899 1.254 2.934 1.00 0.00 C ATOM 0 H LEU A 66 2.930 2.133 5.157 1.00 0.00 H new ATOM 0 HA LEU A 66 2.373 0.549 2.797 1.00 0.00 H new ATOM 0 HB2 LEU A 66 0.322 0.016 3.934 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.169 1.635 4.585 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.189 2.495 2.344 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.887 1.014 0.491 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.831 0.832 0.919 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.350 -0.392 1.442 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.538 1.530 2.095 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.070 0.209 3.192 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.136 1.883 3.792 1.00 0.00 H new ATOM 996 N ILE A 67 2.443 2.726 1.545 1.00 0.00 N ATOM 997 CA ILE A 67 2.636 3.940 0.756 1.00 0.00 C ATOM 998 C ILE A 67 1.567 3.920 -0.321 1.00 0.00 C ATOM 999 O ILE A 67 1.708 3.164 -1.271 1.00 0.00 O ATOM 1000 CB ILE A 67 4.053 3.957 0.140 1.00 0.00 C ATOM 1001 CG1 ILE A 67 5.120 4.101 1.247 1.00 0.00 C ATOM 1002 CG2 ILE A 67 4.214 5.174 -0.787 1.00 0.00 C ATOM 1003 CD1 ILE A 67 6.490 3.545 0.852 1.00 0.00 C ATOM 0 H ILE A 67 2.451 1.884 0.970 1.00 0.00 H new ATOM 0 HA ILE A 67 2.549 4.838 1.368 1.00 0.00 H new ATOM 0 HB ILE A 67 4.183 3.024 -0.408 1.00 0.00 H new ATOM 0 HG12 ILE A 67 5.225 5.155 1.504 1.00 0.00 H new ATOM 0 HG13 ILE A 67 4.773 3.587 2.144 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.216 5.175 -1.215 1.00 0.00 H new ATOM 0 HG22 ILE A 67 3.477 5.121 -1.588 1.00 0.00 H new ATOM 0 HG23 ILE A 67 4.063 6.090 -0.215 1.00 0.00 H new ATOM 0 HD11 ILE A 67 7.189 3.680 1.677 1.00 0.00 H new ATOM 0 HD12 ILE A 67 6.400 2.483 0.623 1.00 0.00 H new ATOM 0 HD13 ILE A 67 6.858 4.075 -0.026 1.00 0.00 H new ATOM 1015 N ALA A 68 0.467 4.652 -0.161 1.00 0.00 N ATOM 1016 CA ALA A 68 -0.700 4.476 -1.018 1.00 0.00 C ATOM 1017 C ALA A 68 -1.614 5.689 -0.943 1.00 0.00 C ATOM 1018 O ALA A 68 -2.493 5.728 -0.092 1.00 0.00 O ATOM 1019 CB ALA A 68 -1.508 3.269 -0.552 1.00 0.00 C ATOM 0 H ALA A 68 0.361 5.372 0.554 1.00 0.00 H new ATOM 0 HA ALA A 68 -0.342 4.338 -2.038 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.378 3.143 -1.196 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -0.887 2.374 -0.602 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.837 3.426 0.475 1.00 0.00 H new ATOM 1025 N SER A 69 -1.471 6.633 -1.854 1.00 0.00 N ATOM 1026 CA SER A 69 -2.170 7.917 -1.993 1.00 0.00 C ATOM 1027 C SER A 69 -3.625 8.051 -1.482 1.00 0.00 C ATOM 1028 O SER A 69 -4.041 9.136 -1.078 1.00 0.00 O ATOM 1029 CB SER A 69 -2.117 8.270 -3.484 1.00 0.00 C ATOM 1030 OG SER A 69 -2.721 7.228 -4.215 1.00 0.00 O ATOM 0 H SER A 69 -0.788 6.515 -2.602 1.00 0.00 H new ATOM 0 HA SER A 69 -1.645 8.598 -1.323 1.00 0.00 H new ATOM 0 HB2 SER A 69 -2.635 9.211 -3.668 1.00 0.00 H new ATOM 0 HB3 SER A 69 -1.084 8.407 -3.804 1.00 0.00 H new ATOM 0 HG SER A 69 -3.381 7.603 -4.834 1.00 0.00 H new ATOM 1036 N ASN A 70 -4.426 6.989 -1.535 1.00 0.00 N ATOM 1037 CA ASN A 70 -5.788 6.896 -1.027 1.00 0.00 C ATOM 1038 C ASN A 70 -6.096 5.399 -0.930 1.00 0.00 C ATOM 1039 O ASN A 70 -5.279 4.547 -1.310 1.00 0.00 O ATOM 1040 CB ASN A 70 -6.779 7.484 -2.054 1.00 0.00 C ATOM 1041 CG ASN A 70 -8.014 8.103 -1.396 1.00 0.00 C ATOM 1042 OD1 ASN A 70 -8.706 7.451 -0.618 1.00 0.00 O ATOM 1043 ND2 ASN A 70 -8.337 9.349 -1.694 1.00 0.00 N ATOM 0 H ASN A 70 -4.119 6.115 -1.962 1.00 0.00 H new ATOM 0 HA ASN A 70 -5.880 7.427 -0.079 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -6.271 8.243 -2.650 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -7.094 6.698 -2.740 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -9.165 9.775 -1.277 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -7.758 9.885 -2.341 1.00 0.00 H new ATOM 1050 N VAL A 71 -7.328 5.051 -0.589 1.00 0.00 N ATOM 1051 CA VAL A 71 -7.795 3.691 -0.470 1.00 0.00 C ATOM 1052 C VAL A 71 -8.926 3.453 -1.479 1.00 0.00 C ATOM 1053 O VAL A 71 -9.572 4.396 -1.922 1.00 0.00 O ATOM 1054 CB VAL A 71 -8.132 3.482 1.017 1.00 0.00 C ATOM 1055 CG1 VAL A 71 -9.485 4.041 1.433 1.00 0.00 C ATOM 1056 CG2 VAL A 71 -8.011 2.028 1.442 1.00 0.00 C ATOM 0 H VAL A 71 -8.052 5.739 -0.381 1.00 0.00 H new ATOM 0 HA VAL A 71 -7.058 2.932 -0.733 1.00 0.00 H new ATOM 0 HB VAL A 71 -7.376 4.063 1.546 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -9.646 3.853 2.494 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -9.508 5.115 1.248 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -10.272 3.556 0.855 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -8.259 1.936 2.499 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -8.697 1.419 0.854 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.989 1.685 1.278 1.00 0.00 H new ATOM 1066 N GLY A 72 -9.151 2.191 -1.855 1.00 0.00 N ATOM 1067 CA GLY A 72 -10.237 1.766 -2.742 1.00 0.00 C ATOM 1068 C GLY A 72 -11.633 2.050 -2.170 1.00 0.00 C ATOM 1069 O GLY A 72 -12.580 2.162 -2.951 1.00 0.00 O ATOM 0 H GLY A 72 -8.567 1.416 -1.542 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -10.134 2.274 -3.701 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -10.142 0.698 -2.936 1.00 0.00 H new ATOM 1073 N ARG A 73 -11.727 2.134 -0.832 1.00 0.00 N ATOM 1074 CA ARG A 73 -12.758 2.555 0.130 1.00 0.00 C ATOM 1075 C ARG A 73 -12.637 1.633 1.350 1.00 0.00 C ATOM 1076 O ARG A 73 -11.631 1.710 2.063 1.00 0.00 O ATOM 1077 CB ARG A 73 -14.167 2.662 -0.469 1.00 0.00 C ATOM 1078 CG ARG A 73 -14.377 4.004 -1.196 1.00 0.00 C ATOM 1079 CD ARG A 73 -15.715 4.076 -1.937 1.00 0.00 C ATOM 1080 NE ARG A 73 -15.636 3.389 -3.238 1.00 0.00 N ATOM 1081 CZ ARG A 73 -15.943 2.116 -3.496 1.00 0.00 C ATOM 1082 NH1 ARG A 73 -16.702 1.429 -2.653 1.00 0.00 N ATOM 1083 NH2 ARG A 73 -15.491 1.542 -4.606 1.00 0.00 N ATOM 0 H ARG A 73 -10.907 1.846 -0.298 1.00 0.00 H new ATOM 0 HA ARG A 73 -12.583 3.584 0.443 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -14.329 1.841 -1.167 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -14.908 2.558 0.323 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -14.324 4.816 -0.471 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -13.565 4.158 -1.907 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -16.497 3.621 -1.328 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -15.995 5.118 -2.089 1.00 0.00 H new ATOM 0 HE ARG A 73 -15.311 3.947 -4.028 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -17.053 1.873 -1.805 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -16.935 0.456 -2.853 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -14.912 2.074 -5.256 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -15.723 0.569 -4.808 1.00 0.00 H new ATOM 1097 N ASN A 74 -13.546 0.670 1.546 1.00 0.00 N ATOM 1098 CA ASN A 74 -13.460 -0.306 2.641 1.00 0.00 C ATOM 1099 C ASN A 74 -12.134 -1.061 2.560 1.00 0.00 C ATOM 1100 O ASN A 74 -11.868 -1.685 1.530 1.00 0.00 O ATOM 1101 CB ASN A 74 -14.628 -1.296 2.584 1.00 0.00 C ATOM 1102 CG ASN A 74 -14.480 -2.431 3.593 1.00 0.00 C ATOM 1103 OD1 ASN A 74 -13.851 -3.453 3.324 1.00 0.00 O ATOM 1104 ND2 ASN A 74 -15.060 -2.288 4.766 1.00 0.00 N ATOM 0 H ASN A 74 -14.364 0.545 0.949 1.00 0.00 H new ATOM 0 HA ASN A 74 -13.513 0.233 3.587 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -15.561 -0.764 2.774 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -14.698 -1.714 1.580 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -14.990 -3.029 5.463 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -15.579 -1.436 4.978 1.00 0.00 H new ATOM 1111 N ALA A 75 -11.316 -0.935 3.613 1.00 0.00 N ATOM 1112 CA ALA A 75 -10.021 -1.565 3.906 1.00 0.00 C ATOM 1113 C ALA A 75 -9.195 -0.698 4.862 1.00 0.00 C ATOM 1114 O ALA A 75 -8.432 -1.251 5.645 1.00 0.00 O ATOM 1115 CB ALA A 75 -9.140 -1.833 2.681 1.00 0.00 C ATOM 0 H ALA A 75 -11.580 -0.310 4.375 1.00 0.00 H new ATOM 0 HA ALA A 75 -10.294 -2.525 4.345 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -8.207 -2.299 2.999 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -9.663 -2.499 1.995 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -8.922 -0.892 2.177 1.00 0.00 H new ATOM 1121 N PHE A 76 -9.328 0.636 4.817 1.00 0.00 N ATOM 1122 CA PHE A 76 -8.581 1.564 5.682 1.00 0.00 C ATOM 1123 C PHE A 76 -8.763 1.224 7.158 1.00 0.00 C ATOM 1124 O PHE A 76 -7.816 1.299 7.929 1.00 0.00 O ATOM 1125 CB PHE A 76 -9.005 3.005 5.358 1.00 0.00 C ATOM 1126 CG PHE A 76 -8.683 4.095 6.374 1.00 0.00 C ATOM 1127 CD1 PHE A 76 -7.403 4.690 6.420 1.00 0.00 C ATOM 1128 CD2 PHE A 76 -9.703 4.589 7.212 1.00 0.00 C ATOM 1129 CE1 PHE A 76 -7.162 5.791 7.269 1.00 0.00 C ATOM 1130 CE2 PHE A 76 -9.460 5.686 8.059 1.00 0.00 C ATOM 1131 CZ PHE A 76 -8.193 6.295 8.084 1.00 0.00 C ATOM 0 H PHE A 76 -9.964 1.107 4.173 1.00 0.00 H new ATOM 0 HA PHE A 76 -7.514 1.464 5.482 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -8.541 3.284 4.412 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -10.083 3.007 5.198 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -6.606 4.301 5.803 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -10.677 4.123 7.204 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -6.184 6.248 7.294 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -10.250 6.062 8.692 1.00 0.00 H new ATOM 0 HZ PHE A 76 -8.012 7.145 8.725 1.00 0.00 H new ATOM 1141 N GLU A 77 -9.958 0.780 7.519 1.00 0.00 N ATOM 1142 CA GLU A 77 -10.369 0.385 8.858 1.00 0.00 C ATOM 1143 C GLU A 77 -9.619 -0.873 9.312 1.00 0.00 C ATOM 1144 O GLU A 77 -9.325 -1.043 10.495 1.00 0.00 O ATOM 1145 CB GLU A 77 -11.880 0.132 8.812 1.00 0.00 C ATOM 1146 CG GLU A 77 -12.666 1.410 8.466 1.00 0.00 C ATOM 1147 CD GLU A 77 -14.023 1.110 7.836 1.00 0.00 C ATOM 1148 OE1 GLU A 77 -14.938 0.680 8.574 1.00 0.00 O ATOM 1149 OE2 GLU A 77 -14.184 1.340 6.616 1.00 0.00 O ATOM 0 H GLU A 77 -10.714 0.680 6.842 1.00 0.00 H new ATOM 0 HA GLU A 77 -10.133 1.170 9.577 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -12.097 -0.639 8.072 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -12.214 -0.249 9.777 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -12.812 1.999 9.371 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -12.078 2.020 7.780 1.00 0.00 H new ATOM 1156 N THR A 78 -9.268 -1.730 8.358 1.00 0.00 N ATOM 1157 CA THR A 78 -8.603 -3.003 8.569 1.00 0.00 C ATOM 1158 C THR A 78 -7.082 -2.852 8.464 1.00 0.00 C ATOM 1159 O THR A 78 -6.359 -3.739 8.909 1.00 0.00 O ATOM 1160 CB THR A 78 -9.161 -4.000 7.540 1.00 0.00 C ATOM 1161 OG1 THR A 78 -10.580 -3.926 7.554 1.00 0.00 O ATOM 1162 CG2 THR A 78 -8.742 -5.433 7.860 1.00 0.00 C ATOM 0 H THR A 78 -9.450 -1.543 7.372 1.00 0.00 H new ATOM 0 HA THR A 78 -8.799 -3.375 9.575 1.00 0.00 H new ATOM 0 HB THR A 78 -8.763 -3.738 6.560 1.00 0.00 H new ATOM 0 HG1 THR A 78 -10.947 -4.557 6.900 1.00 0.00 H new ATOM 0 HG21 THR A 78 -9.155 -6.109 7.111 1.00 0.00 H new ATOM 0 HG22 THR A 78 -7.654 -5.504 7.853 1.00 0.00 H new ATOM 0 HG23 THR A 78 -9.117 -5.710 8.845 1.00 0.00 H new ATOM 1170 N LEU A 79 -6.590 -1.732 7.918 1.00 0.00 N ATOM 1171 CA LEU A 79 -5.179 -1.381 8.009 1.00 0.00 C ATOM 1172 C LEU A 79 -4.902 -1.093 9.480 1.00 0.00 C ATOM 1173 O LEU A 79 -4.261 -1.883 10.155 1.00 0.00 O ATOM 1174 CB LEU A 79 -4.831 -0.210 7.058 1.00 0.00 C ATOM 1175 CG LEU A 79 -4.819 -0.623 5.564 1.00 0.00 C ATOM 1176 CD1 LEU A 79 -4.843 0.574 4.593 1.00 0.00 C ATOM 1177 CD2 LEU A 79 -3.568 -1.443 5.238 1.00 0.00 C ATOM 0 H LEU A 79 -7.157 -1.055 7.408 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.532 -2.193 7.677 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.554 0.593 7.201 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.853 0.190 7.326 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.730 -1.205 5.425 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -4.833 0.210 3.566 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -5.746 1.161 4.761 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.967 1.199 4.765 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.580 -1.722 4.184 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -2.679 -0.848 5.445 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.553 -2.344 5.852 1.00 0.00 H new ATOM 1189 N LYS A 80 -5.453 -0.017 10.029 1.00 0.00 N ATOM 1190 CA LYS A 80 -5.281 0.378 11.419 1.00 0.00 C ATOM 1191 C LYS A 80 -5.588 -0.712 12.432 1.00 0.00 C ATOM 1192 O LYS A 80 -4.936 -0.748 13.468 1.00 0.00 O ATOM 1193 CB LYS A 80 -6.107 1.626 11.695 1.00 0.00 C ATOM 1194 CG LYS A 80 -7.556 1.641 11.159 1.00 0.00 C ATOM 1195 CD LYS A 80 -8.053 3.020 10.709 1.00 0.00 C ATOM 1196 CE LYS A 80 -7.106 3.661 9.693 1.00 0.00 C ATOM 1197 NZ LYS A 80 -6.266 4.713 10.307 1.00 0.00 N ATOM 0 H LYS A 80 -6.049 0.622 9.503 1.00 0.00 H new ATOM 0 HA LYS A 80 -4.219 0.586 11.551 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -6.143 1.776 12.774 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -5.580 2.481 11.272 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -7.626 0.951 10.318 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -8.221 1.265 11.936 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -9.046 2.923 10.270 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -8.151 3.672 11.577 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -6.466 2.893 9.259 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -7.687 4.091 8.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -6.458 5.624 9.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -6.487 4.786 11.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -5.262 4.469 10.188 1.00 0.00 H new ATOM 1211 N ALA A 81 -6.510 -1.621 12.124 1.00 0.00 N ATOM 1212 CA ALA A 81 -6.766 -2.794 12.948 1.00 0.00 C ATOM 1213 C ALA A 81 -5.487 -3.568 13.295 1.00 0.00 C ATOM 1214 O ALA A 81 -5.439 -4.192 14.354 1.00 0.00 O ATOM 1215 CB ALA A 81 -7.738 -3.724 12.225 1.00 0.00 C ATOM 0 H ALA A 81 -7.100 -1.563 11.294 1.00 0.00 H new ATOM 0 HA ALA A 81 -7.195 -2.439 13.885 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -7.929 -4.602 12.842 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -8.675 -3.199 12.041 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -7.304 -4.036 11.275 1.00 0.00 H new ATOM 1221 N ALA A 82 -4.471 -3.556 12.424 1.00 0.00 N ATOM 1222 CA ALA A 82 -3.187 -4.210 12.632 1.00 0.00 C ATOM 1223 C ALA A 82 -2.058 -3.174 12.796 1.00 0.00 C ATOM 1224 O ALA A 82 -0.919 -3.419 12.408 1.00 0.00 O ATOM 1225 CB ALA A 82 -2.968 -5.100 11.395 1.00 0.00 C ATOM 0 H ALA A 82 -4.529 -3.073 11.527 1.00 0.00 H new ATOM 0 HA ALA A 82 -3.179 -4.802 13.547 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -2.016 -5.623 11.487 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -3.776 -5.828 11.323 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -2.956 -4.480 10.498 1.00 0.00 H new ATOM 1231 N GLY A 83 -2.334 -2.048 13.456 1.00 0.00 N ATOM 1232 CA GLY A 83 -1.359 -1.001 13.752 1.00 0.00 C ATOM 1233 C GLY A 83 -0.733 -0.303 12.543 1.00 0.00 C ATOM 1234 O GLY A 83 0.292 0.372 12.676 1.00 0.00 O ATOM 0 H GLY A 83 -3.267 -1.835 13.808 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -1.844 -0.246 14.371 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -0.558 -1.437 14.349 1.00 0.00 H new ATOM 1238 N VAL A 84 -1.321 -0.445 11.358 1.00 0.00 N ATOM 1239 CA VAL A 84 -0.621 -0.228 10.104 1.00 0.00 C ATOM 1240 C VAL A 84 -0.528 1.260 9.787 1.00 0.00 C ATOM 1241 O VAL A 84 -1.551 1.948 9.676 1.00 0.00 O ATOM 1242 CB VAL A 84 -1.341 -1.038 9.014 1.00 0.00 C ATOM 1243 CG1 VAL A 84 -0.664 -1.008 7.655 1.00 0.00 C ATOM 1244 CG2 VAL A 84 -1.482 -2.517 9.389 1.00 0.00 C ATOM 0 H VAL A 84 -2.298 -0.714 11.245 1.00 0.00 H new ATOM 0 HA VAL A 84 0.410 -0.576 10.166 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.310 -0.545 8.944 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -1.240 -1.605 6.948 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.608 0.021 7.299 1.00 0.00 H new ATOM 0 HG13 VAL A 84 0.342 -1.418 7.741 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -1.997 -3.048 8.588 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.493 -2.951 9.535 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -2.057 -2.605 10.311 1.00 0.00 H new ATOM 1254 N LYS A 85 0.705 1.746 9.602 1.00 0.00 N ATOM 1255 CA LYS A 85 0.963 3.118 9.197 1.00 0.00 C ATOM 1256 C LYS A 85 0.720 3.211 7.692 1.00 0.00 C ATOM 1257 O LYS A 85 0.782 2.213 6.979 1.00 0.00 O ATOM 1258 CB LYS A 85 2.398 3.544 9.582 1.00 0.00 C ATOM 1259 CG LYS A 85 2.389 4.911 10.288 1.00 0.00 C ATOM 1260 CD LYS A 85 3.788 5.382 10.727 1.00 0.00 C ATOM 1261 CE LYS A 85 3.667 6.276 11.968 1.00 0.00 C ATOM 1262 NZ LYS A 85 4.661 7.371 12.056 1.00 0.00 N ATOM 0 H LYS A 85 1.550 1.190 9.732 1.00 0.00 H new ATOM 0 HA LYS A 85 0.294 3.805 9.715 1.00 0.00 H new ATOM 0 HB2 LYS A 85 2.842 2.794 10.237 1.00 0.00 H new ATOM 0 HB3 LYS A 85 3.020 3.595 8.688 1.00 0.00 H new ATOM 0 HG2 LYS A 85 1.957 5.655 9.618 1.00 0.00 H new ATOM 0 HG3 LYS A 85 1.741 4.855 11.163 1.00 0.00 H new ATOM 0 HD2 LYS A 85 4.420 4.521 10.947 1.00 0.00 H new ATOM 0 HD3 LYS A 85 4.268 5.931 9.917 1.00 0.00 H new ATOM 0 HE2 LYS A 85 2.668 6.711 11.986 1.00 0.00 H new ATOM 0 HE3 LYS A 85 3.759 5.651 12.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 4.468 7.949 12.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 5.617 6.967 12.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 4.597 7.967 11.206 1.00 0.00 H new ATOM 1276 N VAL A 86 0.434 4.404 7.186 1.00 0.00 N ATOM 1277 CA VAL A 86 -0.046 4.613 5.822 1.00 0.00 C ATOM 1278 C VAL A 86 0.467 5.977 5.395 1.00 0.00 C ATOM 1279 O VAL A 86 0.413 6.922 6.182 1.00 0.00 O ATOM 1280 CB VAL A 86 -1.593 4.558 5.742 1.00 0.00 C ATOM 1281 CG1 VAL A 86 -2.009 4.551 4.278 1.00 0.00 C ATOM 1282 CG2 VAL A 86 -2.198 3.320 6.434 1.00 0.00 C ATOM 0 H VAL A 86 0.530 5.269 7.719 1.00 0.00 H new ATOM 0 HA VAL A 86 0.318 3.824 5.163 1.00 0.00 H new ATOM 0 HB VAL A 86 -1.971 5.436 6.267 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -3.096 4.512 4.209 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -1.646 5.457 3.792 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -1.583 3.679 3.783 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -3.284 3.345 6.340 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.814 2.415 5.963 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -1.925 3.323 7.489 1.00 0.00 H new ATOM 1292 N TYR A 87 0.937 6.085 4.154 1.00 0.00 N ATOM 1293 CA TYR A 87 1.446 7.314 3.593 1.00 0.00 C ATOM 1294 C TYR A 87 0.693 7.707 2.341 1.00 0.00 C ATOM 1295 O TYR A 87 0.148 6.855 1.631 1.00 0.00 O ATOM 1296 CB TYR A 87 2.935 7.151 3.289 1.00 0.00 C ATOM 1297 CG TYR A 87 3.795 7.384 4.501 1.00 0.00 C ATOM 1298 CD1 TYR A 87 3.875 6.428 5.527 1.00 0.00 C ATOM 1299 CD2 TYR A 87 4.475 8.599 4.624 1.00 0.00 C ATOM 1300 CE1 TYR A 87 4.696 6.674 6.638 1.00 0.00 C ATOM 1301 CE2 TYR A 87 5.281 8.870 5.729 1.00 0.00 C ATOM 1302 CZ TYR A 87 5.425 7.881 6.737 1.00 0.00 C ATOM 1303 OH TYR A 87 6.268 8.021 7.792 1.00 0.00 O ATOM 0 H TYR A 87 0.971 5.299 3.505 1.00 0.00 H new ATOM 0 HA TYR A 87 1.304 8.112 4.322 1.00 0.00 H new ATOM 0 HB2 TYR A 87 3.117 6.147 2.905 1.00 0.00 H new ATOM 0 HB3 TYR A 87 3.222 7.850 2.503 1.00 0.00 H new ATOM 0 HD1 TYR A 87 3.309 5.511 5.461 1.00 0.00 H new ATOM 0 HD2 TYR A 87 4.374 9.343 3.848 1.00 0.00 H new ATOM 0 HE1 TYR A 87 4.771 5.936 7.423 1.00 0.00 H new ATOM 0 HE2 TYR A 87 5.789 9.819 5.817 1.00 0.00 H new ATOM 0 HH TYR A 87 6.710 8.894 7.744 1.00 0.00 H new ATOM 1313 N ARG A 88 0.707 8.999 2.036 1.00 0.00 N ATOM 1314 CA ARG A 88 0.369 9.491 0.714 1.00 0.00 C ATOM 1315 C ARG A 88 1.606 9.269 -0.145 1.00 0.00 C ATOM 1316 O ARG A 88 2.717 9.369 0.361 1.00 0.00 O ATOM 1317 CB ARG A 88 0.080 11.002 0.786 1.00 0.00 C ATOM 1318 CG ARG A 88 -0.563 11.552 -0.496 1.00 0.00 C ATOM 1319 CD ARG A 88 -2.083 11.391 -0.462 1.00 0.00 C ATOM 1320 NE ARG A 88 -2.757 12.519 0.182 1.00 0.00 N ATOM 1321 CZ ARG A 88 -4.075 12.752 0.097 1.00 0.00 C ATOM 1322 NH1 ARG A 88 -4.887 11.891 -0.513 1.00 0.00 N ATOM 1323 NH2 ARG A 88 -4.594 13.847 0.638 1.00 0.00 N ATOM 0 H ARG A 88 0.954 9.732 2.701 1.00 0.00 H new ATOM 0 HA ARG A 88 -0.508 8.984 0.311 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -0.580 11.200 1.631 1.00 0.00 H new ATOM 0 HB3 ARG A 88 1.011 11.536 0.977 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -0.308 12.606 -0.611 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -0.158 11.030 -1.363 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -2.456 11.284 -1.481 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -2.335 10.472 0.068 1.00 0.00 H new ATOM 0 HE ARG A 88 -2.190 13.167 0.729 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -4.509 11.038 -0.925 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -5.887 12.084 -0.568 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -3.990 14.513 1.120 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -5.597 14.022 0.572 1.00 0.00 H new ATOM 1337 N PHE A 89 1.421 9.033 -1.436 1.00 0.00 N ATOM 1338 CA PHE A 89 2.419 9.330 -2.456 1.00 0.00 C ATOM 1339 C PHE A 89 1.686 10.149 -3.528 1.00 0.00 C ATOM 1340 O PHE A 89 0.445 10.149 -3.558 1.00 0.00 O ATOM 1341 CB PHE A 89 3.086 8.016 -2.948 1.00 0.00 C ATOM 1342 CG PHE A 89 2.854 7.633 -4.407 1.00 0.00 C ATOM 1343 CD1 PHE A 89 1.540 7.550 -4.895 1.00 0.00 C ATOM 1344 CD2 PHE A 89 3.904 7.334 -5.292 1.00 0.00 C ATOM 1345 CE1 PHE A 89 1.252 7.273 -6.239 1.00 0.00 C ATOM 1346 CE2 PHE A 89 3.621 7.056 -6.627 1.00 0.00 C ATOM 1347 CZ PHE A 89 2.308 7.041 -7.124 1.00 0.00 C ATOM 0 H PHE A 89 0.564 8.625 -1.810 1.00 0.00 H new ATOM 0 HA PHE A 89 3.260 9.922 -2.094 1.00 0.00 H new ATOM 0 HB2 PHE A 89 4.161 8.098 -2.785 1.00 0.00 H new ATOM 0 HB3 PHE A 89 2.730 7.198 -2.321 1.00 0.00 H new ATOM 0 HD1 PHE A 89 0.720 7.705 -4.209 1.00 0.00 H new ATOM 0 HD2 PHE A 89 4.925 7.320 -4.939 1.00 0.00 H new ATOM 0 HE1 PHE A 89 0.229 7.239 -6.585 1.00 0.00 H new ATOM 0 HE2 PHE A 89 4.438 6.845 -7.302 1.00 0.00 H new ATOM 0 HZ PHE A 89 2.118 6.854 -8.171 1.00 0.00 H new ATOM 1357 N GLU A 90 2.392 10.770 -4.468 1.00 0.00 N ATOM 1358 CA GLU A 90 1.764 11.193 -5.712 1.00 0.00 C ATOM 1359 C GLU A 90 2.730 11.003 -6.882 1.00 0.00 C ATOM 1360 O GLU A 90 3.746 11.695 -6.968 1.00 0.00 O ATOM 1361 CB GLU A 90 1.300 12.657 -5.653 1.00 0.00 C ATOM 1362 CG GLU A 90 0.324 12.918 -6.816 1.00 0.00 C ATOM 1363 CD GLU A 90 0.581 14.241 -7.526 1.00 0.00 C ATOM 1364 OE1 GLU A 90 0.197 15.297 -7.002 1.00 0.00 O ATOM 1365 OE2 GLU A 90 1.118 14.210 -8.667 1.00 0.00 O ATOM 0 H GLU A 90 3.385 10.989 -4.393 1.00 0.00 H new ATOM 0 HA GLU A 90 0.882 10.570 -5.860 1.00 0.00 H new ATOM 0 HB2 GLU A 90 0.813 12.860 -4.699 1.00 0.00 H new ATOM 0 HB3 GLU A 90 2.157 13.327 -5.722 1.00 0.00 H new ATOM 0 HG2 GLU A 90 0.402 12.104 -7.537 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -0.697 12.910 -6.435 1.00 0.00 H new ATOM 1372 N GLY A 91 2.361 10.128 -7.812 1.00 0.00 N ATOM 1373 CA GLY A 91 2.914 10.035 -9.151 1.00 0.00 C ATOM 1374 C GLY A 91 4.387 9.657 -9.178 1.00 0.00 C ATOM 1375 O GLY A 91 5.268 10.516 -9.194 1.00 0.00 O ATOM 0 H GLY A 91 1.634 9.434 -7.641 1.00 0.00 H new ATOM 0 HA2 GLY A 91 2.348 9.296 -9.718 1.00 0.00 H new ATOM 0 HA3 GLY A 91 2.784 10.992 -9.656 1.00 0.00 H new ATOM 1379 N GLY A 92 4.643 8.359 -9.237 1.00 0.00 N ATOM 1380 CA GLY A 92 5.956 7.762 -9.151 1.00 0.00 C ATOM 1381 C GLY A 92 5.825 6.268 -9.432 1.00 0.00 C ATOM 1382 O GLY A 92 4.723 5.705 -9.398 1.00 0.00 O ATOM 0 H GLY A 92 3.903 7.666 -9.351 1.00 0.00 H new ATOM 0 HA2 GLY A 92 6.631 8.225 -9.870 1.00 0.00 H new ATOM 0 HA3 GLY A 92 6.383 7.926 -8.162 1.00 0.00 H new ATOM 1386 N THR A 93 6.941 5.607 -9.684 1.00 0.00 N ATOM 1387 CA THR A 93 7.022 4.166 -9.709 1.00 0.00 C ATOM 1388 C THR A 93 7.162 3.607 -8.290 1.00 0.00 C ATOM 1389 O THR A 93 7.231 4.358 -7.314 1.00 0.00 O ATOM 1390 CB THR A 93 8.227 3.775 -10.562 1.00 0.00 C ATOM 1391 OG1 THR A 93 9.363 4.439 -10.054 1.00 0.00 O ATOM 1392 CG2 THR A 93 8.028 4.149 -12.029 1.00 0.00 C ATOM 0 H THR A 93 7.829 6.069 -9.880 1.00 0.00 H new ATOM 0 HA THR A 93 6.110 3.749 -10.135 1.00 0.00 H new ATOM 0 HB THR A 93 8.354 2.693 -10.515 1.00 0.00 H new ATOM 0 HG1 THR A 93 10.149 4.199 -10.588 1.00 0.00 H new ATOM 0 HG21 THR A 93 8.907 3.854 -12.602 1.00 0.00 H new ATOM 0 HG22 THR A 93 7.151 3.634 -12.420 1.00 0.00 H new ATOM 0 HG23 THR A 93 7.884 5.226 -12.114 1.00 0.00 H new ATOM 1400 N VAL A 94 7.215 2.276 -8.158 1.00 0.00 N ATOM 1401 CA VAL A 94 7.420 1.613 -6.882 1.00 0.00 C ATOM 1402 C VAL A 94 8.637 2.203 -6.173 1.00 0.00 C ATOM 1403 O VAL A 94 8.487 2.514 -4.999 1.00 0.00 O ATOM 1404 CB VAL A 94 7.411 0.083 -7.041 1.00 0.00 C ATOM 1405 CG1 VAL A 94 7.724 -0.627 -5.722 1.00 0.00 C ATOM 1406 CG2 VAL A 94 6.046 -0.410 -7.536 1.00 0.00 C ATOM 0 H VAL A 94 7.115 1.633 -8.943 1.00 0.00 H new ATOM 0 HA VAL A 94 6.581 1.809 -6.214 1.00 0.00 H new ATOM 0 HB VAL A 94 8.184 -0.155 -7.772 1.00 0.00 H new ATOM 0 HG11 VAL A 94 7.708 -1.706 -5.877 1.00 0.00 H new ATOM 0 HG12 VAL A 94 8.711 -0.325 -5.372 1.00 0.00 H new ATOM 0 HG13 VAL A 94 6.976 -0.356 -4.977 1.00 0.00 H new ATOM 0 HG21 VAL A 94 6.067 -1.495 -7.640 1.00 0.00 H new ATOM 0 HG22 VAL A 94 5.275 -0.129 -6.818 1.00 0.00 H new ATOM 0 HG23 VAL A 94 5.824 0.043 -8.502 1.00 0.00 H new ATOM 1416 N GLN A 95 9.780 2.432 -6.838 1.00 0.00 N ATOM 1417 CA GLN A 95 10.922 3.049 -6.159 1.00 0.00 C ATOM 1418 C GLN A 95 10.654 4.450 -5.606 1.00 0.00 C ATOM 1419 O GLN A 95 11.155 4.769 -4.537 1.00 0.00 O ATOM 1420 CB GLN A 95 12.192 3.066 -7.027 1.00 0.00 C ATOM 1421 CG GLN A 95 13.404 3.470 -6.155 1.00 0.00 C ATOM 1422 CD GLN A 95 14.769 3.209 -6.780 1.00 0.00 C ATOM 1423 OE1 GLN A 95 14.955 2.250 -7.525 1.00 0.00 O ATOM 1424 NE2 GLN A 95 15.766 4.002 -6.431 1.00 0.00 N ATOM 0 H GLN A 95 9.934 2.205 -7.820 1.00 0.00 H new ATOM 0 HA GLN A 95 11.088 2.398 -5.301 1.00 0.00 H new ATOM 0 HB2 GLN A 95 12.358 2.083 -7.467 1.00 0.00 H new ATOM 0 HB3 GLN A 95 12.073 3.769 -7.852 1.00 0.00 H new ATOM 0 HG2 GLN A 95 13.326 4.532 -5.922 1.00 0.00 H new ATOM 0 HG3 GLN A 95 13.346 2.931 -5.209 1.00 0.00 H new ATOM 0 HE21 GLN A 95 15.595 4.794 -5.812 1.00 0.00 H new ATOM 0 HE22 GLN A 95 16.707 3.822 -6.781 1.00 0.00 H new ATOM 1433 N GLU A 96 9.891 5.287 -6.286 1.00 0.00 N ATOM 1434 CA GLU A 96 9.655 6.679 -5.949 1.00 0.00 C ATOM 1435 C GLU A 96 8.852 6.727 -4.670 1.00 0.00 C ATOM 1436 O GLU A 96 9.175 7.517 -3.799 1.00 0.00 O ATOM 1437 CB GLU A 96 8.826 7.313 -7.060 1.00 0.00 C ATOM 1438 CG GLU A 96 9.541 7.438 -8.404 1.00 0.00 C ATOM 1439 CD GLU A 96 10.437 8.666 -8.492 1.00 0.00 C ATOM 1440 OE1 GLU A 96 11.604 8.621 -8.035 1.00 0.00 O ATOM 1441 OE2 GLU A 96 9.996 9.667 -9.096 1.00 0.00 O ATOM 0 H GLU A 96 9.395 5.000 -7.130 1.00 0.00 H new ATOM 0 HA GLU A 96 10.600 7.209 -5.830 1.00 0.00 H new ATOM 0 HB2 GLU A 96 7.921 6.722 -7.200 1.00 0.00 H new ATOM 0 HB3 GLU A 96 8.512 8.306 -6.738 1.00 0.00 H new ATOM 0 HG2 GLU A 96 10.142 6.544 -8.574 1.00 0.00 H new ATOM 0 HG3 GLU A 96 8.799 7.479 -9.201 1.00 0.00 H new ATOM 1448 N ALA A 97 7.860 5.844 -4.508 1.00 0.00 N ATOM 1449 CA ALA A 97 7.201 5.665 -3.233 1.00 0.00 C ATOM 1450 C ALA A 97 8.209 5.497 -2.082 1.00 0.00 C ATOM 1451 O ALA A 97 7.950 5.979 -0.987 1.00 0.00 O ATOM 1452 CB ALA A 97 6.237 4.479 -3.363 1.00 0.00 C ATOM 0 H ALA A 97 7.503 5.246 -5.253 1.00 0.00 H new ATOM 0 HA ALA A 97 6.633 6.559 -2.976 1.00 0.00 H new ATOM 0 HB1 ALA A 97 5.725 4.321 -2.414 1.00 0.00 H new ATOM 0 HB2 ALA A 97 5.503 4.690 -4.141 1.00 0.00 H new ATOM 0 HB3 ALA A 97 6.797 3.582 -3.627 1.00 0.00 H new ATOM 1458 N ILE A 98 9.349 4.842 -2.301 1.00 0.00 N ATOM 1459 CA ILE A 98 10.321 4.475 -1.270 1.00 0.00 C ATOM 1460 C ILE A 98 11.312 5.605 -1.089 1.00 0.00 C ATOM 1461 O ILE A 98 11.547 6.033 0.027 1.00 0.00 O ATOM 1462 CB ILE A 98 11.135 3.217 -1.662 1.00 0.00 C ATOM 1463 CG1 ILE A 98 10.322 2.204 -2.445 1.00 0.00 C ATOM 1464 CG2 ILE A 98 11.785 2.580 -0.424 1.00 0.00 C ATOM 1465 CD1 ILE A 98 9.048 1.730 -1.762 1.00 0.00 C ATOM 0 H ILE A 98 9.631 4.542 -3.234 1.00 0.00 H new ATOM 0 HA ILE A 98 9.759 4.274 -0.358 1.00 0.00 H new ATOM 0 HB ILE A 98 11.926 3.552 -2.334 1.00 0.00 H new ATOM 0 HG12 ILE A 98 10.058 2.640 -3.408 1.00 0.00 H new ATOM 0 HG13 ILE A 98 10.950 1.337 -2.649 1.00 0.00 H new ATOM 0 HG21 ILE A 98 12.351 1.698 -0.724 1.00 0.00 H new ATOM 0 HG22 ILE A 98 12.455 3.300 0.046 1.00 0.00 H new ATOM 0 HG23 ILE A 98 11.010 2.290 0.285 1.00 0.00 H new ATOM 0 HD11 ILE A 98 8.539 1.009 -2.401 1.00 0.00 H new ATOM 0 HD12 ILE A 98 9.298 1.259 -0.811 1.00 0.00 H new ATOM 0 HD13 ILE A 98 8.392 2.582 -1.583 1.00 0.00 H new ATOM 1477 N ASP A 99 11.934 6.052 -2.170 1.00 0.00 N ATOM 1478 CA ASP A 99 12.939 7.107 -2.226 1.00 0.00 C ATOM 1479 C ASP A 99 12.315 8.404 -1.720 1.00 0.00 C ATOM 1480 O ASP A 99 12.997 9.222 -1.105 1.00 0.00 O ATOM 1481 CB ASP A 99 13.486 7.257 -3.662 1.00 0.00 C ATOM 1482 CG ASP A 99 14.908 6.703 -3.795 1.00 0.00 C ATOM 1483 OD1 ASP A 99 15.872 7.457 -3.543 1.00 0.00 O ATOM 1484 OD2 ASP A 99 15.064 5.506 -4.141 1.00 0.00 O ATOM 0 H ASP A 99 11.738 5.663 -3.092 1.00 0.00 H new ATOM 0 HA ASP A 99 13.786 6.852 -1.589 1.00 0.00 H new ATOM 0 HB2 ASP A 99 12.827 6.736 -4.357 1.00 0.00 H new ATOM 0 HB3 ASP A 99 13.479 8.310 -3.945 1.00 0.00 H new ATOM 1489 N ALA A 100 10.994 8.555 -1.879 1.00 0.00 N ATOM 1490 CA ALA A 100 10.278 9.676 -1.317 1.00 0.00 C ATOM 1491 C ALA A 100 10.076 9.419 0.175 1.00 0.00 C ATOM 1492 O ALA A 100 10.524 10.210 1.001 1.00 0.00 O ATOM 1493 CB ALA A 100 8.971 9.882 -2.094 1.00 0.00 C ATOM 0 H ALA A 100 10.408 7.902 -2.399 1.00 0.00 H new ATOM 0 HA ALA A 100 10.838 10.606 -1.410 1.00 0.00 H new ATOM 0 HB1 ALA A 100 8.427 10.728 -1.673 1.00 0.00 H new ATOM 0 HB2 ALA A 100 9.198 10.082 -3.141 1.00 0.00 H new ATOM 0 HB3 ALA A 100 8.358 8.983 -2.020 1.00 0.00 H new ATOM 1499 N PHE A 101 9.423 8.310 0.541 1.00 0.00 N ATOM 1500 CA PHE A 101 9.090 7.988 1.929 1.00 0.00 C ATOM 1501 C PHE A 101 10.313 7.997 2.838 1.00 0.00 C ATOM 1502 O PHE A 101 10.272 8.572 3.929 1.00 0.00 O ATOM 1503 CB PHE A 101 8.425 6.609 1.990 1.00 0.00 C ATOM 1504 CG PHE A 101 8.577 5.857 3.295 1.00 0.00 C ATOM 1505 CD1 PHE A 101 7.953 6.340 4.459 1.00 0.00 C ATOM 1506 CD2 PHE A 101 9.377 4.695 3.345 1.00 0.00 C ATOM 1507 CE1 PHE A 101 8.082 5.624 5.659 1.00 0.00 C ATOM 1508 CE2 PHE A 101 9.461 3.957 4.535 1.00 0.00 C ATOM 1509 CZ PHE A 101 8.793 4.411 5.682 1.00 0.00 C ATOM 0 H PHE A 101 9.109 7.605 -0.126 1.00 0.00 H new ATOM 0 HA PHE A 101 8.408 8.759 2.286 1.00 0.00 H new ATOM 0 HB2 PHE A 101 7.361 6.731 1.785 1.00 0.00 H new ATOM 0 HB3 PHE A 101 8.835 5.994 1.189 1.00 0.00 H new ATOM 0 HD1 PHE A 101 7.379 7.254 4.430 1.00 0.00 H new ATOM 0 HD2 PHE A 101 9.923 4.375 2.470 1.00 0.00 H new ATOM 0 HE1 PHE A 101 7.635 6.005 6.565 1.00 0.00 H new ATOM 0 HE2 PHE A 101 10.037 3.044 4.568 1.00 0.00 H new ATOM 0 HZ PHE A 101 8.825 3.825 6.589 1.00 0.00 H new ATOM 1519 N SER A 102 11.355 7.284 2.420 1.00 0.00 N ATOM 1520 CA SER A 102 12.503 6.969 3.247 1.00 0.00 C ATOM 1521 C SER A 102 13.202 8.260 3.630 1.00 0.00 C ATOM 1522 O SER A 102 13.481 8.499 4.806 1.00 0.00 O ATOM 1523 CB SER A 102 13.411 5.979 2.511 1.00 0.00 C ATOM 1524 OG SER A 102 13.869 6.458 1.264 1.00 0.00 O ATOM 0 H SER A 102 11.421 6.904 1.476 1.00 0.00 H new ATOM 0 HA SER A 102 12.200 6.480 4.173 1.00 0.00 H new ATOM 0 HB2 SER A 102 14.270 5.748 3.141 1.00 0.00 H new ATOM 0 HB3 SER A 102 12.869 5.046 2.357 1.00 0.00 H new ATOM 0 HG SER A 102 13.122 6.487 0.630 1.00 0.00 H new ATOM 1530 N GLU A 103 13.381 9.153 2.659 1.00 0.00 N ATOM 1531 CA GLU A 103 13.995 10.444 2.884 1.00 0.00 C ATOM 1532 C GLU A 103 12.904 11.462 3.230 1.00 0.00 C ATOM 1533 O GLU A 103 13.009 12.652 2.936 1.00 0.00 O ATOM 1534 CB GLU A 103 14.788 10.809 1.624 1.00 0.00 C ATOM 1535 CG GLU A 103 15.674 9.656 1.081 1.00 0.00 C ATOM 1536 CD GLU A 103 17.026 10.148 0.551 1.00 0.00 C ATOM 1537 OE1 GLU A 103 17.064 11.187 -0.140 1.00 0.00 O ATOM 1538 OE2 GLU A 103 18.051 9.456 0.808 1.00 0.00 O ATOM 0 H GLU A 103 13.100 8.993 1.692 1.00 0.00 H new ATOM 0 HA GLU A 103 14.688 10.432 3.725 1.00 0.00 H new ATOM 0 HB2 GLU A 103 14.091 11.116 0.844 1.00 0.00 H new ATOM 0 HB3 GLU A 103 15.421 11.669 1.842 1.00 0.00 H new ATOM 0 HG2 GLU A 103 15.843 8.928 1.875 1.00 0.00 H new ATOM 0 HG3 GLU A 103 15.142 9.139 0.282 1.00 0.00 H new ATOM 1545 N GLY A 104 11.908 11.000 3.986 1.00 0.00 N ATOM 1546 CA GLY A 104 10.862 11.752 4.637 1.00 0.00 C ATOM 1547 C GLY A 104 10.027 12.665 3.748 1.00 0.00 C ATOM 1548 O GLY A 104 9.359 13.549 4.292 1.00 0.00 O ATOM 0 H GLY A 104 11.814 10.001 4.168 1.00 0.00 H new ATOM 0 HA2 GLY A 104 10.191 11.048 5.129 1.00 0.00 H new ATOM 0 HA3 GLY A 104 11.315 12.360 5.420 1.00 0.00 H new ATOM 1552 N ARG A 105 10.026 12.511 2.423 1.00 0.00 N ATOM 1553 CA ARG A 105 9.271 13.392 1.537 1.00 0.00 C ATOM 1554 C ARG A 105 7.846 12.898 1.285 1.00 0.00 C ATOM 1555 O ARG A 105 7.317 13.207 0.219 1.00 0.00 O ATOM 1556 CB ARG A 105 9.984 13.454 0.165 1.00 0.00 C ATOM 1557 CG ARG A 105 11.393 14.040 0.151 1.00 0.00 C ATOM 1558 CD ARG A 105 11.849 14.282 -1.301 1.00 0.00 C ATOM 1559 NE ARG A 105 12.568 15.559 -1.423 1.00 0.00 N ATOM 1560 CZ ARG A 105 12.008 16.771 -1.359 1.00 0.00 C ATOM 1561 NH1 ARG A 105 10.693 16.922 -1.481 1.00 0.00 N ATOM 1562 NH2 ARG A 105 12.774 17.831 -1.152 1.00 0.00 N ATOM 0 H ARG A 105 10.544 11.778 1.939 1.00 0.00 H new ATOM 0 HA ARG A 105 9.220 14.365 2.025 1.00 0.00 H new ATOM 0 HB2 ARG A 105 10.032 12.443 -0.240 1.00 0.00 H new ATOM 0 HB3 ARG A 105 9.365 14.040 -0.514 1.00 0.00 H new ATOM 0 HG2 ARG A 105 11.412 14.977 0.708 1.00 0.00 H new ATOM 0 HG3 ARG A 105 12.084 13.360 0.649 1.00 0.00 H new ATOM 0 HD2 ARG A 105 12.494 13.465 -1.624 1.00 0.00 H new ATOM 0 HD3 ARG A 105 10.983 14.284 -1.962 1.00 0.00 H new ATOM 0 HE ARG A 105 13.577 15.516 -1.568 1.00 0.00 H new ATOM 0 HH11 ARG A 105 10.097 16.107 -1.626 1.00 0.00 H new ATOM 0 HH12 ARG A 105 10.280 17.853 -1.430 1.00 0.00 H new ATOM 0 HH21 ARG A 105 13.782 17.718 -1.043 1.00 0.00 H new ATOM 0 HH22 ARG A 105 12.356 18.760 -1.102 1.00 0.00 H new ATOM 1576 N LEU A 106 7.144 12.307 2.251 1.00 0.00 N ATOM 1577 CA LEU A 106 5.767 11.871 2.035 1.00 0.00 C ATOM 1578 C LEU A 106 4.903 12.224 3.243 1.00 0.00 C ATOM 1579 O LEU A 106 5.413 12.519 4.330 1.00 0.00 O ATOM 1580 CB LEU A 106 5.702 10.361 1.756 1.00 0.00 C ATOM 1581 CG LEU A 106 6.216 9.850 0.390 1.00 0.00 C ATOM 1582 CD1 LEU A 106 5.797 8.381 0.245 1.00 0.00 C ATOM 1583 CD2 LEU A 106 5.659 10.571 -0.850 1.00 0.00 C ATOM 0 H LEU A 106 7.505 12.120 3.187 1.00 0.00 H new ATOM 0 HA LEU A 106 5.381 12.394 1.160 1.00 0.00 H new ATOM 0 HB2 LEU A 106 6.268 9.853 2.537 1.00 0.00 H new ATOM 0 HB3 LEU A 106 4.663 10.047 1.860 1.00 0.00 H new ATOM 0 HG LEU A 106 7.292 10.026 0.409 1.00 0.00 H new ATOM 0 HD11 LEU A 106 6.148 7.995 -0.712 1.00 0.00 H new ATOM 0 HD12 LEU A 106 6.234 7.796 1.054 1.00 0.00 H new ATOM 0 HD13 LEU A 106 4.710 8.306 0.290 1.00 0.00 H new ATOM 0 HD21 LEU A 106 6.088 10.130 -1.750 1.00 0.00 H new ATOM 0 HD22 LEU A 106 4.574 10.466 -0.875 1.00 0.00 H new ATOM 0 HD23 LEU A 106 5.920 11.628 -0.804 1.00 0.00 H new ATOM 1595 N GLU A 107 3.580 12.134 3.080 1.00 0.00 N ATOM 1596 CA GLU A 107 2.618 12.525 4.104 1.00 0.00 C ATOM 1597 C GLU A 107 2.167 11.289 4.848 1.00 0.00 C ATOM 1598 O GLU A 107 2.032 10.235 4.238 1.00 0.00 O ATOM 1599 CB GLU A 107 1.344 13.152 3.517 1.00 0.00 C ATOM 1600 CG GLU A 107 1.513 14.088 2.327 1.00 0.00 C ATOM 1601 CD GLU A 107 0.157 14.763 2.060 1.00 0.00 C ATOM 1602 OE1 GLU A 107 -0.777 14.140 1.487 1.00 0.00 O ATOM 1603 OE2 GLU A 107 -0.071 15.870 2.595 1.00 0.00 O ATOM 0 H GLU A 107 3.147 11.784 2.225 1.00 0.00 H new ATOM 0 HA GLU A 107 3.121 13.253 4.740 1.00 0.00 H new ATOM 0 HB2 GLU A 107 0.676 12.344 3.219 1.00 0.00 H new ATOM 0 HB3 GLU A 107 0.842 13.703 4.312 1.00 0.00 H new ATOM 0 HG2 GLU A 107 2.277 14.837 2.536 1.00 0.00 H new ATOM 0 HG3 GLU A 107 1.842 13.533 1.449 1.00 0.00 H new ATOM 1610 N GLU A 108 1.859 11.414 6.133 1.00 0.00 N ATOM 1611 CA GLU A 108 1.402 10.305 6.954 1.00 0.00 C ATOM 1612 C GLU A 108 -0.120 10.297 6.926 1.00 0.00 C ATOM 1613 O GLU A 108 -0.780 10.844 7.814 1.00 0.00 O ATOM 1614 CB GLU A 108 2.006 10.453 8.352 1.00 0.00 C ATOM 1615 CG GLU A 108 1.670 9.263 9.254 1.00 0.00 C ATOM 1616 CD GLU A 108 2.571 9.183 10.482 1.00 0.00 C ATOM 1617 OE1 GLU A 108 3.808 9.331 10.328 1.00 0.00 O ATOM 1618 OE2 GLU A 108 2.049 8.885 11.580 1.00 0.00 O ATOM 0 H GLU A 108 1.921 12.298 6.638 1.00 0.00 H new ATOM 0 HA GLU A 108 1.732 9.336 6.579 1.00 0.00 H new ATOM 0 HB2 GLU A 108 3.089 10.551 8.270 1.00 0.00 H new ATOM 0 HB3 GLU A 108 1.637 11.370 8.811 1.00 0.00 H new ATOM 0 HG2 GLU A 108 0.631 9.337 9.575 1.00 0.00 H new ATOM 0 HG3 GLU A 108 1.761 8.340 8.681 1.00 0.00 H new ATOM 1625 N LEU A 109 -0.678 9.708 5.869 1.00 0.00 N ATOM 1626 CA LEU A 109 -2.094 9.793 5.560 1.00 0.00 C ATOM 1627 C LEU A 109 -2.871 8.807 6.439 1.00 0.00 C ATOM 1628 O LEU A 109 -3.306 7.743 5.998 1.00 0.00 O ATOM 1629 CB LEU A 109 -2.342 9.534 4.071 1.00 0.00 C ATOM 1630 CG LEU A 109 -3.732 10.045 3.637 1.00 0.00 C ATOM 1631 CD1 LEU A 109 -3.742 11.564 3.427 1.00 0.00 C ATOM 1632 CD2 LEU A 109 -4.240 9.331 2.399 1.00 0.00 C ATOM 0 H LEU A 109 -0.147 9.152 5.198 1.00 0.00 H new ATOM 0 HA LEU A 109 -2.449 10.801 5.775 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -1.570 10.027 3.480 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -2.265 8.466 3.868 1.00 0.00 H new ATOM 0 HG LEU A 109 -4.414 9.815 4.456 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -4.739 11.883 3.122 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -3.471 12.062 4.358 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -3.024 11.829 2.651 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -5.221 9.723 2.130 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -3.546 9.494 1.575 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -4.319 8.263 2.602 1.00 0.00 H new ATOM 1644 N THR A 110 -3.029 9.119 7.719 1.00 0.00 N ATOM 1645 CA THR A 110 -3.510 8.157 8.705 1.00 0.00 C ATOM 1646 C THR A 110 -4.863 8.605 9.261 1.00 0.00 C ATOM 1647 O THR A 110 -5.198 8.341 10.415 1.00 0.00 O ATOM 1648 CB THR A 110 -2.412 8.021 9.777 1.00 0.00 C ATOM 1649 OG1 THR A 110 -2.029 9.305 10.249 1.00 0.00 O ATOM 1650 CG2 THR A 110 -1.169 7.297 9.242 1.00 0.00 C ATOM 0 H THR A 110 -2.828 10.042 8.103 1.00 0.00 H new ATOM 0 HA THR A 110 -3.690 7.174 8.269 1.00 0.00 H new ATOM 0 HB THR A 110 -2.831 7.427 10.590 1.00 0.00 H new ATOM 0 HG1 THR A 110 -1.332 9.208 10.931 1.00 0.00 H new ATOM 0 HG21 THR A 110 -0.422 7.224 10.032 1.00 0.00 H new ATOM 0 HG22 THR A 110 -1.445 6.296 8.911 1.00 0.00 H new ATOM 0 HG23 THR A 110 -0.756 7.856 8.402 1.00 0.00 H new ATOM 1658 N THR A 111 -5.694 9.176 8.389 1.00 0.00 N ATOM 1659 CA THR A 111 -6.906 9.927 8.702 1.00 0.00 C ATOM 1660 C THR A 111 -7.323 10.601 7.391 1.00 0.00 C ATOM 1661 O THR A 111 -6.812 11.656 7.000 1.00 0.00 O ATOM 1662 CB THR A 111 -6.725 10.870 9.919 1.00 0.00 C ATOM 1663 OG1 THR A 111 -7.903 11.613 10.129 1.00 0.00 O ATOM 1664 CG2 THR A 111 -5.540 11.831 9.836 1.00 0.00 C ATOM 0 H THR A 111 -5.527 9.122 7.384 1.00 0.00 H new ATOM 0 HA THR A 111 -7.717 9.285 9.045 1.00 0.00 H new ATOM 0 HB THR A 111 -6.510 10.206 10.756 1.00 0.00 H new ATOM 0 HG1 THR A 111 -7.783 12.206 10.900 1.00 0.00 H new ATOM 0 HG21 THR A 111 -5.505 12.444 10.737 1.00 0.00 H new ATOM 0 HG22 THR A 111 -4.615 11.261 9.749 1.00 0.00 H new ATOM 0 HG23 THR A 111 -5.654 12.474 8.963 1.00 0.00 H new ATOM 1672 N PHE A 112 -8.152 9.905 6.621 1.00 0.00 N ATOM 1673 CA PHE A 112 -8.694 10.374 5.361 1.00 0.00 C ATOM 1674 C PHE A 112 -9.952 9.573 5.069 1.00 0.00 C ATOM 1675 O PHE A 112 -10.167 8.495 5.642 1.00 0.00 O ATOM 1676 CB PHE A 112 -7.692 10.201 4.214 1.00 0.00 C ATOM 1677 CG PHE A 112 -7.296 8.769 3.921 1.00 0.00 C ATOM 1678 CD1 PHE A 112 -6.382 8.093 4.750 1.00 0.00 C ATOM 1679 CD2 PHE A 112 -7.828 8.118 2.796 1.00 0.00 C ATOM 1680 CE1 PHE A 112 -5.977 6.787 4.440 1.00 0.00 C ATOM 1681 CE2 PHE A 112 -7.442 6.802 2.509 1.00 0.00 C ATOM 1682 CZ PHE A 112 -6.524 6.130 3.331 1.00 0.00 C ATOM 0 H PHE A 112 -8.473 8.969 6.869 1.00 0.00 H new ATOM 0 HA PHE A 112 -8.915 11.439 5.440 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -8.118 10.636 3.310 1.00 0.00 H new ATOM 0 HB3 PHE A 112 -6.792 10.770 4.448 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -5.990 8.583 5.629 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -8.531 8.629 2.155 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -5.244 6.288 5.056 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -7.855 6.300 1.647 1.00 0.00 H new ATOM 0 HZ PHE A 112 -6.241 5.112 3.109 1.00 0.00 H new ATOM 1692 N THR A 113 -10.717 10.070 4.115 1.00 0.00 N ATOM 1693 CA THR A 113 -11.874 9.441 3.509 1.00 0.00 C ATOM 1694 C THR A 113 -11.831 9.838 2.018 1.00 0.00 C ATOM 1695 O THR A 113 -10.750 10.111 1.480 1.00 0.00 O ATOM 1696 CB THR A 113 -13.159 9.870 4.262 1.00 0.00 C ATOM 1697 OG1 THR A 113 -12.931 10.085 5.648 1.00 0.00 O ATOM 1698 CG2 THR A 113 -14.230 8.781 4.165 1.00 0.00 C ATOM 0 H THR A 113 -10.532 10.990 3.715 1.00 0.00 H new ATOM 0 HA THR A 113 -11.871 8.353 3.579 1.00 0.00 H new ATOM 0 HB THR A 113 -13.480 10.798 3.789 1.00 0.00 H new ATOM 0 HG1 THR A 113 -13.769 10.355 6.079 1.00 0.00 H new ATOM 0 HG21 THR A 113 -15.124 9.101 4.700 1.00 0.00 H new ATOM 0 HG22 THR A 113 -14.477 8.606 3.118 1.00 0.00 H new ATOM 0 HG23 THR A 113 -13.853 7.859 4.608 1.00 0.00 H new ATOM 1706 N ARG A 114 -12.972 9.849 1.329 1.00 0.00 N ATOM 1707 CA ARG A 114 -13.110 10.264 -0.056 1.00 0.00 C ATOM 1708 C ARG A 114 -14.412 11.013 -0.159 1.00 0.00 C ATOM 1709 O ARG A 114 -15.407 10.532 0.382 1.00 0.00 O ATOM 1710 CB ARG A 114 -13.112 8.996 -0.933 1.00 0.00 C ATOM 1711 CG ARG A 114 -13.431 9.203 -2.420 1.00 0.00 C ATOM 1712 CD ARG A 114 -14.918 9.307 -2.801 1.00 0.00 C ATOM 1713 NE ARG A 114 -15.677 8.059 -2.651 1.00 0.00 N ATOM 1714 CZ ARG A 114 -16.816 7.912 -1.960 1.00 0.00 C ATOM 1715 NH1 ARG A 114 -17.093 8.646 -0.888 1.00 0.00 N ATOM 1716 NH2 ARG A 114 -17.693 7.015 -2.395 1.00 0.00 N ATOM 0 H ARG A 114 -13.857 9.556 1.742 1.00 0.00 H new ATOM 0 HA ARG A 114 -12.297 10.908 -0.390 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -12.133 8.523 -0.855 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -13.838 8.295 -0.521 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -12.931 10.113 -2.752 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -12.994 8.376 -2.980 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -15.384 10.076 -2.185 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -14.992 9.639 -3.837 1.00 0.00 H new ATOM 0 HE ARG A 114 -15.304 7.230 -3.114 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -16.428 9.349 -0.566 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -17.970 8.506 -0.387 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -17.489 6.465 -3.230 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -18.571 6.876 -1.895 1.00 0.00 H new ATOM 1730 N GLU A 115 -14.448 12.083 -0.949 1.00 0.00 N ATOM 1731 CA GLU A 115 -15.702 12.757 -1.251 1.00 0.00 C ATOM 1732 C GLU A 115 -15.843 13.138 -2.730 1.00 0.00 C ATOM 1733 O GLU A 115 -16.551 14.083 -3.073 1.00 0.00 O ATOM 1734 CB GLU A 115 -15.746 13.998 -0.357 1.00 0.00 C ATOM 1735 CG GLU A 115 -14.685 15.056 -0.723 1.00 0.00 C ATOM 1736 CD GLU A 115 -15.069 16.461 -0.279 1.00 0.00 C ATOM 1737 OE1 GLU A 115 -16.223 16.887 -0.521 1.00 0.00 O ATOM 1738 OE2 GLU A 115 -14.202 17.137 0.314 1.00 0.00 O ATOM 0 H GLU A 115 -13.626 12.498 -1.388 1.00 0.00 H new ATOM 0 HA GLU A 115 -16.538 12.085 -1.056 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -16.736 14.449 -0.423 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -15.603 13.695 0.680 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -13.734 14.783 -0.265 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -14.532 15.051 -1.802 1.00 0.00 H new ATOM 1745 N GLY A 116 -15.356 12.307 -3.642 1.00 0.00 N ATOM 1746 CA GLY A 116 -15.364 12.562 -5.070 1.00 0.00 C ATOM 1747 C GLY A 116 -13.933 12.500 -5.522 1.00 0.00 C ATOM 1748 O GLY A 116 -13.223 11.579 -5.047 1.00 0.00 O ATOM 0 H GLY A 116 -14.933 11.412 -3.398 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -15.969 11.821 -5.593 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -15.798 13.538 -5.287 1.00 0.00 H new TER 1752 GLY A 116