USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 421 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 30 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 34 GLN : amide:sc= -0.234 X(o=-0.23,f=-0.028) USER MOD Set 2.1: A 33 HIS : no HD1:sc= -0.0209 X(o=0.89,f=0.91) USER MOD Set 2.2: A 49 SER OG : rot -76:sc= 0.915 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 173:sc= -0.486! (180deg=-0.986!) USER MOD Single : A 4 LYS NZ :NH3+ 172:sc=-0.00345 (180deg=-0.0972) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0.0225 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot -109:sc= 0.142 USER MOD Single : A 25 LYS NZ :NH3+ -124:sc= 1.11 (180deg=-0.755) USER MOD Single : A 26 THR OG1 : rot -179:sc= -1.39 USER MOD Single : A 32 MET CE :methyl -166:sc= -0.44 (180deg=-0.898) USER MOD Single : A 37 CYS SG : rot -27:sc= 0.0333 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 ASN : amide:sc= -0.111 K(o=-0.11,f=-1.8) USER MOD Single : A 52 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0737) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.562 9.480 10.926 1.00 0.00 N ATOM 2 CA MET A 1 -6.241 9.085 12.313 1.00 0.00 C ATOM 3 C MET A 1 -5.609 7.692 12.345 1.00 0.00 C ATOM 4 O MET A 1 -5.051 7.274 13.358 1.00 0.00 O ATOM 5 CB MET A 1 -7.521 9.135 13.164 1.00 0.00 C ATOM 6 CG MET A 1 -7.321 8.829 14.640 1.00 0.00 C ATOM 7 SD MET A 1 -7.499 7.076 15.023 1.00 0.00 S ATOM 8 CE MET A 1 -7.077 7.077 16.761 1.00 0.00 C ATOM 0 H1 MET A 1 -7.096 10.373 10.934 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.681 9.608 10.389 1.00 0.00 H new ATOM 0 H3 MET A 1 -7.136 8.738 10.478 1.00 0.00 H new ATOM 0 HA MET A 1 -5.514 9.782 12.729 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.964 10.127 13.070 1.00 0.00 H new ATOM 0 HB3 MET A 1 -8.240 8.425 12.755 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.329 9.163 14.944 1.00 0.00 H new ATOM 0 HG3 MET A 1 -8.043 9.399 15.225 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.139 6.061 17.151 1.00 0.00 H new ATOM 0 HE2 MET A 1 -6.062 7.453 16.889 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.772 7.717 17.304 1.00 0.00 H new ATOM 18 N GLY A 2 -5.646 6.991 11.217 1.00 0.00 N ATOM 19 CA GLY A 2 -5.162 5.627 11.191 1.00 0.00 C ATOM 20 C GLY A 2 -3.829 5.497 10.486 1.00 0.00 C ATOM 21 O GLY A 2 -2.813 5.216 11.121 1.00 0.00 O ATOM 0 H GLY A 2 -6.000 7.341 10.327 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -5.066 5.260 12.213 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -5.896 4.994 10.692 1.00 0.00 H new ATOM 25 N LEU A 3 -3.830 5.725 9.180 1.00 0.00 N ATOM 26 CA LEU A 3 -2.632 5.550 8.372 1.00 0.00 C ATOM 27 C LEU A 3 -2.416 6.741 7.447 1.00 0.00 C ATOM 28 O LEU A 3 -3.131 6.910 6.458 1.00 0.00 O ATOM 29 CB LEU A 3 -2.736 4.268 7.540 1.00 0.00 C ATOM 30 CG LEU A 3 -2.846 2.975 8.344 1.00 0.00 C ATOM 31 CD1 LEU A 3 -3.069 1.790 7.415 1.00 0.00 C ATOM 32 CD2 LEU A 3 -1.596 2.759 9.188 1.00 0.00 C ATOM 0 H LEU A 3 -4.650 6.032 8.657 1.00 0.00 H new ATOM 0 HA LEU A 3 -1.781 5.476 9.049 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -3.607 4.347 6.889 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -1.860 4.202 6.894 1.00 0.00 H new ATOM 0 HG LEU A 3 -3.702 3.059 9.013 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -3.145 0.876 8.003 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -3.991 1.937 6.852 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -2.231 1.707 6.723 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -1.694 1.832 9.753 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -0.724 2.696 8.537 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -1.474 3.594 9.878 1.00 0.00 H new ATOM 43 N LYS A 4 -1.448 7.574 7.789 1.00 0.00 N ATOM 44 CA LYS A 4 -1.027 8.660 6.916 1.00 0.00 C ATOM 45 C LYS A 4 -0.142 8.107 5.806 1.00 0.00 C ATOM 46 O LYS A 4 0.608 7.153 6.020 1.00 0.00 O ATOM 47 CB LYS A 4 -0.255 9.710 7.719 1.00 0.00 C ATOM 48 CG LYS A 4 -1.131 10.545 8.635 1.00 0.00 C ATOM 49 CD LYS A 4 -1.960 11.547 7.846 1.00 0.00 C ATOM 50 CE LYS A 4 -2.929 12.310 8.736 1.00 0.00 C ATOM 51 NZ LYS A 4 -2.239 13.025 9.843 1.00 0.00 N ATOM 0 H LYS A 4 -0.936 7.520 8.669 1.00 0.00 H new ATOM 0 HA LYS A 4 -1.908 9.128 6.478 1.00 0.00 H new ATOM 0 HB2 LYS A 4 0.507 9.209 8.317 1.00 0.00 H new ATOM 0 HB3 LYS A 4 0.267 10.372 7.028 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -1.792 9.892 9.204 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -0.507 11.074 9.356 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -1.297 12.252 7.345 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -2.517 11.024 7.068 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -3.483 13.029 8.133 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -3.658 11.616 9.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -2.919 13.636 10.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -1.845 12.332 10.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -1.470 13.607 9.454 1.00 0.00 H new ATOM 61 N TRP A 5 -0.223 8.718 4.624 1.00 0.00 N ATOM 62 CA TRP A 5 0.545 8.268 3.463 1.00 0.00 C ATOM 63 C TRP A 5 2.037 8.419 3.707 1.00 0.00 C ATOM 64 O TRP A 5 2.853 7.769 3.056 1.00 0.00 O ATOM 65 CB TRP A 5 0.168 9.065 2.216 1.00 0.00 C ATOM 66 CG TRP A 5 -1.242 8.864 1.753 1.00 0.00 C ATOM 67 CD1 TRP A 5 -2.301 9.684 1.994 1.00 0.00 C ATOM 68 CD2 TRP A 5 -1.744 7.782 0.954 1.00 0.00 C ATOM 69 NE1 TRP A 5 -3.425 9.187 1.389 1.00 0.00 N ATOM 70 CE2 TRP A 5 -3.112 8.025 0.743 1.00 0.00 C ATOM 71 CE3 TRP A 5 -1.174 6.635 0.395 1.00 0.00 C ATOM 72 CZ2 TRP A 5 -3.917 7.170 -0.004 1.00 0.00 C ATOM 73 CZ3 TRP A 5 -1.975 5.789 -0.348 1.00 0.00 C ATOM 74 CH2 TRP A 5 -3.331 6.062 -0.543 1.00 0.00 C ATOM 0 H TRP A 5 -0.815 9.529 4.445 1.00 0.00 H new ATOM 0 HA TRP A 5 0.307 7.216 3.307 1.00 0.00 H new ATOM 0 HB2 TRP A 5 0.323 10.125 2.417 1.00 0.00 H new ATOM 0 HB3 TRP A 5 0.845 8.791 1.407 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -2.261 10.593 2.576 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -4.350 9.617 1.417 1.00 0.00 H new ATOM 0 HE3 TRP A 5 -0.127 6.414 0.541 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -4.967 7.376 -0.152 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 -1.545 4.900 -0.786 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -3.928 5.382 -1.133 1.00 0.00 H new ATOM 84 N THR A 6 2.389 9.302 4.633 1.00 0.00 N ATOM 85 CA THR A 6 3.777 9.510 4.998 1.00 0.00 C ATOM 86 C THR A 6 4.336 8.267 5.692 1.00 0.00 C ATOM 87 O THR A 6 5.536 7.989 5.636 1.00 0.00 O ATOM 88 CB THR A 6 3.917 10.730 5.927 1.00 0.00 C ATOM 89 OG1 THR A 6 3.048 11.780 5.478 1.00 0.00 O ATOM 90 CG2 THR A 6 5.349 11.239 5.939 1.00 0.00 C ATOM 0 H THR A 6 1.727 9.886 5.144 1.00 0.00 H new ATOM 0 HA THR A 6 4.344 9.696 4.086 1.00 0.00 H new ATOM 0 HB THR A 6 3.644 10.425 6.937 1.00 0.00 H new ATOM 0 HG1 THR A 6 3.137 12.555 6.071 1.00 0.00 H new ATOM 0 HG21 THR A 6 5.423 12.101 6.602 1.00 0.00 H new ATOM 0 HG22 THR A 6 6.013 10.450 6.294 1.00 0.00 H new ATOM 0 HG23 THR A 6 5.640 11.531 4.930 1.00 0.00 H new ATOM 98 N ASP A 7 3.445 7.508 6.320 1.00 0.00 N ATOM 99 CA ASP A 7 3.818 6.286 7.017 1.00 0.00 C ATOM 100 C ASP A 7 3.795 5.108 6.049 1.00 0.00 C ATOM 101 O ASP A 7 3.035 4.152 6.213 1.00 0.00 O ATOM 102 CB ASP A 7 2.875 6.036 8.197 1.00 0.00 C ATOM 103 CG ASP A 7 2.995 7.104 9.271 1.00 0.00 C ATOM 104 OD1 ASP A 7 3.988 7.087 10.028 1.00 0.00 O ATOM 105 OD2 ASP A 7 2.101 7.970 9.361 1.00 0.00 O ATOM 0 H ASP A 7 2.449 7.722 6.360 1.00 0.00 H new ATOM 0 HA ASP A 7 4.830 6.396 7.408 1.00 0.00 H new ATOM 0 HB2 ASP A 7 1.847 6.002 7.836 1.00 0.00 H new ATOM 0 HB3 ASP A 7 3.093 5.061 8.632 1.00 0.00 H new ATOM 109 N SER A 8 4.653 5.196 5.043 1.00 0.00 N ATOM 110 CA SER A 8 4.702 4.232 3.953 1.00 0.00 C ATOM 111 C SER A 8 4.953 2.802 4.431 1.00 0.00 C ATOM 112 O SER A 8 4.401 1.858 3.872 1.00 0.00 O ATOM 113 CB SER A 8 5.782 4.657 2.968 1.00 0.00 C ATOM 114 OG SER A 8 6.948 5.090 3.657 1.00 0.00 O ATOM 0 H SER A 8 5.341 5.945 4.960 1.00 0.00 H new ATOM 0 HA SER A 8 3.724 4.225 3.471 1.00 0.00 H new ATOM 0 HB2 SER A 8 6.030 3.824 2.311 1.00 0.00 H new ATOM 0 HB3 SER A 8 5.408 5.462 2.335 1.00 0.00 H new ATOM 0 HG SER A 8 7.631 5.357 3.008 1.00 0.00 H new ATOM 119 N ARG A 9 5.763 2.644 5.471 1.00 0.00 N ATOM 120 CA ARG A 9 6.117 1.316 5.958 1.00 0.00 C ATOM 121 C ARG A 9 4.932 0.694 6.675 1.00 0.00 C ATOM 122 O ARG A 9 4.629 -0.482 6.486 1.00 0.00 O ATOM 123 CB ARG A 9 7.319 1.373 6.902 1.00 0.00 C ATOM 124 CG ARG A 9 7.809 0.000 7.334 1.00 0.00 C ATOM 125 CD ARG A 9 8.824 0.097 8.459 1.00 0.00 C ATOM 126 NE ARG A 9 9.919 1.007 8.131 1.00 0.00 N ATOM 127 CZ ARG A 9 11.086 1.033 8.768 1.00 0.00 C ATOM 128 NH1 ARG A 9 11.366 0.134 9.703 1.00 0.00 N ATOM 129 NH2 ARG A 9 11.988 1.946 8.448 1.00 0.00 N ATOM 0 H ARG A 9 6.185 3.414 5.991 1.00 0.00 H new ATOM 0 HA ARG A 9 6.387 0.703 5.098 1.00 0.00 H new ATOM 0 HB2 ARG A 9 8.134 1.904 6.410 1.00 0.00 H new ATOM 0 HB3 ARG A 9 7.051 1.950 7.787 1.00 0.00 H new ATOM 0 HG2 ARG A 9 6.962 -0.604 7.659 1.00 0.00 H new ATOM 0 HG3 ARG A 9 8.257 -0.512 6.482 1.00 0.00 H new ATOM 0 HD2 ARG A 9 8.327 0.440 9.367 1.00 0.00 H new ATOM 0 HD3 ARG A 9 9.227 -0.894 8.670 1.00 0.00 H new ATOM 0 HE ARG A 9 9.779 1.665 7.364 1.00 0.00 H new ATOM 0 HH11 ARG A 9 10.683 -0.586 9.939 1.00 0.00 H new ATOM 0 HH12 ARG A 9 12.264 0.163 10.186 1.00 0.00 H new ATOM 0 HH21 ARG A 9 11.787 2.626 7.715 1.00 0.00 H new ATOM 0 HH22 ARG A 9 12.884 1.970 8.934 1.00 0.00 H new ATOM 140 N GLU A 10 4.250 1.509 7.472 1.00 0.00 N ATOM 141 CA GLU A 10 3.109 1.047 8.251 1.00 0.00 C ATOM 142 C GLU A 10 2.024 0.541 7.319 1.00 0.00 C ATOM 143 O GLU A 10 1.314 -0.418 7.623 1.00 0.00 O ATOM 144 CB GLU A 10 2.553 2.177 9.121 1.00 0.00 C ATOM 145 CG GLU A 10 3.627 3.013 9.796 1.00 0.00 C ATOM 146 CD GLU A 10 4.623 2.189 10.582 1.00 0.00 C ATOM 147 OE1 GLU A 10 4.317 1.817 11.731 1.00 0.00 O ATOM 148 OE2 GLU A 10 5.723 1.926 10.052 1.00 0.00 O ATOM 0 H GLU A 10 4.470 2.497 7.595 1.00 0.00 H new ATOM 0 HA GLU A 10 3.440 0.238 8.902 1.00 0.00 H new ATOM 0 HB2 GLU A 10 1.933 2.827 8.504 1.00 0.00 H new ATOM 0 HB3 GLU A 10 1.904 1.749 9.885 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.160 3.588 9.038 1.00 0.00 H new ATOM 0 HG3 GLU A 10 3.152 3.731 10.465 1.00 0.00 H new ATOM 153 N ILE A 11 1.918 1.190 6.170 1.00 0.00 N ATOM 154 CA ILE A 11 0.942 0.815 5.168 1.00 0.00 C ATOM 155 C ILE A 11 1.466 -0.342 4.320 1.00 0.00 C ATOM 156 O ILE A 11 0.720 -1.255 3.966 1.00 0.00 O ATOM 157 CB ILE A 11 0.593 2.011 4.265 1.00 0.00 C ATOM 158 CG1 ILE A 11 0.089 3.182 5.116 1.00 0.00 C ATOM 159 CG2 ILE A 11 -0.451 1.604 3.240 1.00 0.00 C ATOM 160 CD1 ILE A 11 -0.162 4.451 4.334 1.00 0.00 C ATOM 0 H ILE A 11 2.502 1.985 5.910 1.00 0.00 H new ATOM 0 HA ILE A 11 0.036 0.496 5.684 1.00 0.00 H new ATOM 0 HB ILE A 11 1.490 2.331 3.734 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -0.835 2.885 5.612 1.00 0.00 H new ATOM 0 HG13 ILE A 11 0.819 3.389 5.899 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.691 2.458 2.606 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -0.060 0.794 2.625 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -1.352 1.268 3.752 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.516 5.230 5.009 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.764 4.775 3.860 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -0.915 4.264 3.569 1.00 0.00 H new ATOM 171 N GLY A 12 2.759 -0.300 4.014 1.00 0.00 N ATOM 172 CA GLY A 12 3.390 -1.359 3.247 1.00 0.00 C ATOM 173 C GLY A 12 3.246 -2.714 3.911 1.00 0.00 C ATOM 174 O GLY A 12 2.916 -3.709 3.260 1.00 0.00 O ATOM 0 H GLY A 12 3.386 0.457 4.287 1.00 0.00 H new ATOM 0 HA2 GLY A 12 2.948 -1.396 2.251 1.00 0.00 H new ATOM 0 HA3 GLY A 12 4.448 -1.131 3.118 1.00 0.00 H new ATOM 178 N GLU A 13 3.484 -2.749 5.216 1.00 0.00 N ATOM 179 CA GLU A 13 3.384 -3.985 5.977 1.00 0.00 C ATOM 180 C GLU A 13 1.922 -4.405 6.132 1.00 0.00 C ATOM 181 O GLU A 13 1.619 -5.595 6.224 1.00 0.00 O ATOM 182 CB GLU A 13 4.054 -3.830 7.346 1.00 0.00 C ATOM 183 CG GLU A 13 5.523 -3.439 7.252 1.00 0.00 C ATOM 184 CD GLU A 13 6.238 -3.516 8.583 1.00 0.00 C ATOM 185 OE1 GLU A 13 6.186 -2.538 9.354 1.00 0.00 O ATOM 186 OE2 GLU A 13 6.862 -4.562 8.862 1.00 0.00 O ATOM 0 H GLU A 13 3.748 -1.934 5.769 1.00 0.00 H new ATOM 0 HA GLU A 13 3.906 -4.769 5.429 1.00 0.00 H new ATOM 0 HB2 GLU A 13 3.519 -3.075 7.922 1.00 0.00 H new ATOM 0 HB3 GLU A 13 3.968 -4.768 7.894 1.00 0.00 H new ATOM 0 HG2 GLU A 13 6.023 -4.093 6.538 1.00 0.00 H new ATOM 0 HG3 GLU A 13 5.600 -2.424 6.862 1.00 0.00 H new ATOM 191 N ALA A 14 1.021 -3.424 6.137 1.00 0.00 N ATOM 192 CA ALA A 14 -0.413 -3.699 6.190 1.00 0.00 C ATOM 193 C ALA A 14 -0.845 -4.486 4.964 1.00 0.00 C ATOM 194 O ALA A 14 -1.620 -5.438 5.056 1.00 0.00 O ATOM 195 CB ALA A 14 -1.209 -2.405 6.273 1.00 0.00 C ATOM 0 H ALA A 14 1.259 -2.433 6.105 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.610 -4.290 7.085 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -2.274 -2.635 6.311 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.923 -1.859 7.172 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -1.001 -1.793 5.395 1.00 0.00 H new ATOM 201 N LEU A 15 -0.324 -4.081 3.814 1.00 0.00 N ATOM 202 CA LEU A 15 -0.649 -4.730 2.555 1.00 0.00 C ATOM 203 C LEU A 15 -0.093 -6.152 2.527 1.00 0.00 C ATOM 204 O LEU A 15 -0.704 -7.053 1.959 1.00 0.00 O ATOM 205 CB LEU A 15 -0.099 -3.920 1.382 1.00 0.00 C ATOM 206 CG LEU A 15 -0.597 -2.471 1.293 1.00 0.00 C ATOM 207 CD1 LEU A 15 -0.130 -1.830 0.004 1.00 0.00 C ATOM 208 CD2 LEU A 15 -2.114 -2.411 1.412 1.00 0.00 C ATOM 0 H LEU A 15 0.329 -3.302 3.729 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.734 -4.782 2.463 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.989 -3.909 1.448 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.357 -4.433 0.455 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.174 -1.910 2.127 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.492 -0.803 -0.043 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.959 -1.833 -0.030 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.521 -2.392 -0.844 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.443 -1.374 1.346 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.565 -2.987 0.604 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.421 -2.829 2.371 1.00 0.00 H new ATOM 219 N TYR A 16 1.061 -6.345 3.155 1.00 0.00 N ATOM 220 CA TYR A 16 1.673 -7.664 3.245 1.00 0.00 C ATOM 221 C TYR A 16 0.868 -8.562 4.182 1.00 0.00 C ATOM 222 O TYR A 16 0.764 -9.770 3.969 1.00 0.00 O ATOM 223 CB TYR A 16 3.124 -7.541 3.729 1.00 0.00 C ATOM 224 CG TYR A 16 3.872 -8.856 3.796 1.00 0.00 C ATOM 225 CD1 TYR A 16 3.948 -9.691 2.689 1.00 0.00 C ATOM 226 CD2 TYR A 16 4.515 -9.254 4.961 1.00 0.00 C ATOM 227 CE1 TYR A 16 4.640 -10.887 2.742 1.00 0.00 C ATOM 228 CE2 TYR A 16 5.208 -10.450 5.024 1.00 0.00 C ATOM 229 CZ TYR A 16 5.269 -11.261 3.909 1.00 0.00 C ATOM 230 OH TYR A 16 5.967 -12.449 3.961 1.00 0.00 O ATOM 0 H TYR A 16 1.592 -5.603 3.610 1.00 0.00 H new ATOM 0 HA TYR A 16 1.675 -8.118 2.254 1.00 0.00 H new ATOM 0 HB2 TYR A 16 3.661 -6.865 3.064 1.00 0.00 H new ATOM 0 HB3 TYR A 16 3.127 -7.084 4.718 1.00 0.00 H new ATOM 0 HD1 TYR A 16 3.458 -9.401 1.771 1.00 0.00 H new ATOM 0 HD2 TYR A 16 4.473 -8.619 5.833 1.00 0.00 H new ATOM 0 HE1 TYR A 16 4.687 -11.525 1.872 1.00 0.00 H new ATOM 0 HE2 TYR A 16 5.698 -10.747 5.940 1.00 0.00 H new ATOM 0 HH TYR A 16 6.352 -12.563 4.855 1.00 0.00 H new ATOM 239 N ASP A 17 0.302 -7.958 5.218 1.00 0.00 N ATOM 240 CA ASP A 17 -0.550 -8.670 6.166 1.00 0.00 C ATOM 241 C ASP A 17 -1.845 -9.105 5.495 1.00 0.00 C ATOM 242 O ASP A 17 -2.254 -10.264 5.594 1.00 0.00 O ATOM 243 CB ASP A 17 -0.863 -7.774 7.372 1.00 0.00 C ATOM 244 CG ASP A 17 -1.754 -8.444 8.405 1.00 0.00 C ATOM 245 OD1 ASP A 17 -2.998 -8.393 8.260 1.00 0.00 O ATOM 246 OD2 ASP A 17 -1.215 -8.998 9.387 1.00 0.00 O ATOM 0 H ASP A 17 0.418 -6.966 5.426 1.00 0.00 H new ATOM 0 HA ASP A 17 -0.018 -9.557 6.510 1.00 0.00 H new ATOM 0 HB2 ASP A 17 0.072 -7.477 7.847 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -1.347 -6.862 7.022 1.00 0.00 H new ATOM 250 N ALA A 18 -2.477 -8.167 4.802 1.00 0.00 N ATOM 251 CA ALA A 18 -3.748 -8.420 4.141 1.00 0.00 C ATOM 252 C ALA A 18 -3.582 -9.334 2.931 1.00 0.00 C ATOM 253 O ALA A 18 -4.383 -10.246 2.720 1.00 0.00 O ATOM 254 CB ALA A 18 -4.396 -7.108 3.727 1.00 0.00 C ATOM 0 H ALA A 18 -2.126 -7.217 4.683 1.00 0.00 H new ATOM 0 HA ALA A 18 -4.397 -8.930 4.853 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -5.346 -7.311 3.233 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -4.570 -6.493 4.610 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -3.737 -6.577 3.040 1.00 0.00 H new ATOM 260 N TYR A 19 -2.542 -9.098 2.142 1.00 0.00 N ATOM 261 CA TYR A 19 -2.338 -9.858 0.914 1.00 0.00 C ATOM 262 C TYR A 19 -0.966 -10.532 0.891 1.00 0.00 C ATOM 263 O TYR A 19 -0.062 -10.082 0.186 1.00 0.00 O ATOM 264 CB TYR A 19 -2.475 -8.941 -0.306 1.00 0.00 C ATOM 265 CG TYR A 19 -3.780 -8.183 -0.360 1.00 0.00 C ATOM 266 CD1 TYR A 19 -4.962 -8.816 -0.721 1.00 0.00 C ATOM 267 CD2 TYR A 19 -3.829 -6.831 -0.048 1.00 0.00 C ATOM 268 CE1 TYR A 19 -6.157 -8.123 -0.771 1.00 0.00 C ATOM 269 CE2 TYR A 19 -5.020 -6.130 -0.094 1.00 0.00 C ATOM 270 CZ TYR A 19 -6.181 -6.781 -0.455 1.00 0.00 C ATOM 271 OH TYR A 19 -7.364 -6.087 -0.504 1.00 0.00 O ATOM 0 H TYR A 19 -1.830 -8.391 2.328 1.00 0.00 H new ATOM 0 HA TYR A 19 -3.102 -10.634 0.879 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -1.651 -8.227 -0.305 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -2.377 -9.540 -1.211 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -4.947 -9.868 -0.967 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -2.922 -6.318 0.235 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -7.067 -8.630 -1.056 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -5.041 -5.078 0.151 1.00 0.00 H new ATOM 0 HH TYR A 19 -7.354 -5.476 -1.270 1.00 0.00 H new ATOM 280 N PRO A 20 -0.789 -11.629 1.648 1.00 0.00 N ATOM 281 CA PRO A 20 0.460 -12.392 1.638 1.00 0.00 C ATOM 282 C PRO A 20 0.547 -13.308 0.418 1.00 0.00 C ATOM 283 O PRO A 20 1.616 -13.818 0.075 1.00 0.00 O ATOM 284 CB PRO A 20 0.376 -13.212 2.925 1.00 0.00 C ATOM 285 CG PRO A 20 -1.084 -13.421 3.145 1.00 0.00 C ATOM 286 CD PRO A 20 -1.778 -12.206 2.581 1.00 0.00 C ATOM 0 HA PRO A 20 1.343 -11.755 1.586 1.00 0.00 H new ATOM 0 HB2 PRO A 20 0.901 -14.162 2.825 1.00 0.00 H new ATOM 0 HB3 PRO A 20 0.831 -12.683 3.762 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -1.426 -14.329 2.648 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -1.304 -13.536 4.206 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -2.701 -12.476 2.067 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -2.046 -11.499 3.366 1.00 0.00 H new ATOM 291 N ASP A 21 -0.595 -13.504 -0.235 1.00 0.00 N ATOM 292 CA ASP A 21 -0.682 -14.372 -1.406 1.00 0.00 C ATOM 293 C ASP A 21 -0.433 -13.585 -2.679 1.00 0.00 C ATOM 294 O ASP A 21 -0.212 -14.159 -3.747 1.00 0.00 O ATOM 295 CB ASP A 21 -2.067 -15.021 -1.496 1.00 0.00 C ATOM 296 CG ASP A 21 -2.452 -15.780 -0.245 1.00 0.00 C ATOM 297 OD1 ASP A 21 -1.757 -16.754 0.102 1.00 0.00 O ATOM 298 OD2 ASP A 21 -3.468 -15.417 0.381 1.00 0.00 O ATOM 0 H ASP A 21 -1.479 -13.070 0.029 1.00 0.00 H new ATOM 0 HA ASP A 21 0.080 -15.144 -1.299 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -2.811 -14.248 -1.688 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -2.088 -15.702 -2.347 1.00 0.00 H new ATOM 302 N LEU A 22 -0.473 -12.271 -2.558 1.00 0.00 N ATOM 303 CA LEU A 22 -0.417 -11.395 -3.715 1.00 0.00 C ATOM 304 C LEU A 22 1.010 -10.940 -3.990 1.00 0.00 C ATOM 305 O LEU A 22 1.760 -10.619 -3.068 1.00 0.00 O ATOM 306 CB LEU A 22 -1.326 -10.186 -3.483 1.00 0.00 C ATOM 307 CG LEU A 22 -1.470 -9.226 -4.665 1.00 0.00 C ATOM 308 CD1 LEU A 22 -2.051 -9.943 -5.874 1.00 0.00 C ATOM 309 CD2 LEU A 22 -2.348 -8.046 -4.280 1.00 0.00 C ATOM 0 H LEU A 22 -0.544 -11.784 -1.665 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.763 -11.948 -4.588 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.317 -10.547 -3.210 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.944 -9.626 -2.629 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.479 -8.856 -4.930 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.145 -9.241 -6.703 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.391 -10.761 -6.164 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.034 -10.341 -5.623 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.443 -7.370 -5.130 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.335 -8.406 -3.991 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.896 -7.514 -3.442 1.00 0.00 H new ATOM 320 N ASP A 23 1.379 -10.939 -5.266 1.00 0.00 N ATOM 321 CA ASP A 23 2.683 -10.445 -5.688 1.00 0.00 C ATOM 322 C ASP A 23 2.668 -8.927 -5.748 1.00 0.00 C ATOM 323 O ASP A 23 1.899 -8.343 -6.505 1.00 0.00 O ATOM 324 CB ASP A 23 3.063 -10.976 -7.077 1.00 0.00 C ATOM 325 CG ASP A 23 3.271 -12.472 -7.122 1.00 0.00 C ATOM 326 OD1 ASP A 23 4.409 -12.926 -6.878 1.00 0.00 O ATOM 327 OD2 ASP A 23 2.312 -13.199 -7.448 1.00 0.00 O ATOM 0 H ASP A 23 0.791 -11.276 -6.028 1.00 0.00 H new ATOM 0 HA ASP A 23 3.414 -10.795 -4.959 1.00 0.00 H new ATOM 0 HB2 ASP A 23 2.280 -10.706 -7.786 1.00 0.00 H new ATOM 0 HB3 ASP A 23 3.976 -10.481 -7.407 1.00 0.00 H new ATOM 331 N PRO A 24 3.524 -8.263 -4.967 1.00 0.00 N ATOM 332 CA PRO A 24 3.629 -6.803 -4.995 1.00 0.00 C ATOM 333 C PRO A 24 4.197 -6.315 -6.326 1.00 0.00 C ATOM 334 O PRO A 24 4.050 -5.152 -6.697 1.00 0.00 O ATOM 335 CB PRO A 24 4.593 -6.490 -3.848 1.00 0.00 C ATOM 336 CG PRO A 24 5.383 -7.737 -3.662 1.00 0.00 C ATOM 337 CD PRO A 24 4.451 -8.869 -3.996 1.00 0.00 C ATOM 0 HA PRO A 24 2.662 -6.311 -4.888 1.00 0.00 H new ATOM 0 HB2 PRO A 24 5.238 -5.646 -4.093 1.00 0.00 H new ATOM 0 HB3 PRO A 24 4.053 -6.225 -2.939 1.00 0.00 H new ATOM 0 HG2 PRO A 24 6.257 -7.746 -4.313 1.00 0.00 H new ATOM 0 HG3 PRO A 24 5.747 -7.820 -2.638 1.00 0.00 H new ATOM 0 HD2 PRO A 24 4.985 -9.718 -4.424 1.00 0.00 H new ATOM 0 HD3 PRO A 24 3.927 -9.234 -3.112 1.00 0.00 H new ATOM 342 N LYS A 25 4.832 -7.230 -7.047 1.00 0.00 N ATOM 343 CA LYS A 25 5.474 -6.907 -8.312 1.00 0.00 C ATOM 344 C LYS A 25 4.483 -6.940 -9.475 1.00 0.00 C ATOM 345 O LYS A 25 4.757 -6.391 -10.542 1.00 0.00 O ATOM 346 CB LYS A 25 6.641 -7.866 -8.561 1.00 0.00 C ATOM 347 CG LYS A 25 7.754 -7.717 -7.533 1.00 0.00 C ATOM 348 CD LYS A 25 8.909 -8.677 -7.773 1.00 0.00 C ATOM 349 CE LYS A 25 8.524 -10.116 -7.472 1.00 0.00 C ATOM 350 NZ LYS A 25 9.712 -11.014 -7.465 1.00 0.00 N ATOM 0 H LYS A 25 4.916 -8.209 -6.773 1.00 0.00 H new ATOM 0 HA LYS A 25 5.857 -5.889 -8.249 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.273 -8.892 -8.545 1.00 0.00 H new ATOM 0 HB3 LYS A 25 7.046 -7.688 -9.557 1.00 0.00 H new ATOM 0 HG2 LYS A 25 8.128 -6.693 -7.554 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.347 -7.887 -6.536 1.00 0.00 H new ATOM 0 HD2 LYS A 25 9.236 -8.598 -8.810 1.00 0.00 H new ATOM 0 HD3 LYS A 25 9.755 -8.390 -7.149 1.00 0.00 H new ATOM 0 HE2 LYS A 25 8.025 -10.164 -6.504 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.809 -10.465 -8.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 9.565 -11.790 -8.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 10.558 -10.473 -7.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 9.844 -11.407 -6.511 1.00 0.00 H new ATOM 360 N THR A 26 3.341 -7.591 -9.278 1.00 0.00 N ATOM 361 CA THR A 26 2.283 -7.572 -10.280 1.00 0.00 C ATOM 362 C THR A 26 1.321 -6.416 -10.016 1.00 0.00 C ATOM 363 O THR A 26 0.626 -5.944 -10.917 1.00 0.00 O ATOM 364 CB THR A 26 1.508 -8.906 -10.320 1.00 0.00 C ATOM 365 OG1 THR A 26 1.148 -9.308 -8.994 1.00 0.00 O ATOM 366 CG2 THR A 26 2.339 -9.995 -10.977 1.00 0.00 C ATOM 0 H THR A 26 3.126 -8.133 -8.441 1.00 0.00 H new ATOM 0 HA THR A 26 2.756 -7.432 -11.252 1.00 0.00 H new ATOM 0 HB THR A 26 0.604 -8.755 -10.909 1.00 0.00 H new ATOM 0 HG1 THR A 26 0.670 -10.163 -9.030 1.00 0.00 H new ATOM 0 HG21 THR A 26 1.772 -10.926 -10.993 1.00 0.00 H new ATOM 0 HG22 THR A 26 2.583 -9.701 -11.998 1.00 0.00 H new ATOM 0 HG23 THR A 26 3.259 -10.141 -10.412 1.00 0.00 H new ATOM 374 N VAL A 27 1.294 -5.963 -8.767 1.00 0.00 N ATOM 375 CA VAL A 27 0.451 -4.845 -8.366 1.00 0.00 C ATOM 376 C VAL A 27 1.007 -3.533 -8.906 1.00 0.00 C ATOM 377 O VAL A 27 2.208 -3.269 -8.807 1.00 0.00 O ATOM 378 CB VAL A 27 0.348 -4.744 -6.828 1.00 0.00 C ATOM 379 CG1 VAL A 27 -0.524 -3.569 -6.410 1.00 0.00 C ATOM 380 CG2 VAL A 27 -0.183 -6.040 -6.239 1.00 0.00 C ATOM 0 H VAL A 27 1.852 -6.358 -8.010 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.541 -5.025 -8.780 1.00 0.00 H new ATOM 0 HB VAL A 27 1.351 -4.573 -6.437 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.577 -3.524 -5.322 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.093 -2.643 -6.791 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.527 -3.697 -6.817 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.248 -5.947 -5.155 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.173 -6.245 -6.645 1.00 0.00 H new ATOM 0 HG23 VAL A 27 0.491 -6.858 -6.494 1.00 0.00 H new ATOM 390 N ARG A 28 0.147 -2.723 -9.502 1.00 0.00 N ATOM 391 CA ARG A 28 0.542 -1.399 -9.930 1.00 0.00 C ATOM 392 C ARG A 28 0.041 -0.367 -8.933 1.00 0.00 C ATOM 393 O ARG A 28 -0.767 -0.692 -8.059 1.00 0.00 O ATOM 394 CB ARG A 28 0.010 -1.102 -11.331 1.00 0.00 C ATOM 395 CG ARG A 28 0.445 -2.114 -12.384 1.00 0.00 C ATOM 396 CD ARG A 28 1.946 -2.061 -12.663 1.00 0.00 C ATOM 397 NE ARG A 28 2.752 -2.576 -11.550 1.00 0.00 N ATOM 398 CZ ARG A 28 4.027 -2.951 -11.662 1.00 0.00 C ATOM 399 NH1 ARG A 28 4.648 -2.862 -12.833 1.00 0.00 N ATOM 400 NH2 ARG A 28 4.674 -3.410 -10.596 1.00 0.00 N ATOM 0 H ARG A 28 -0.825 -2.962 -9.698 1.00 0.00 H new ATOM 0 HA ARG A 28 1.630 -1.351 -9.970 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -1.079 -1.073 -11.297 1.00 0.00 H new ATOM 0 HB3 ARG A 28 0.346 -0.110 -11.634 1.00 0.00 H new ATOM 0 HG2 ARG A 28 0.176 -3.117 -12.052 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -0.100 -1.927 -13.309 1.00 0.00 H new ATOM 0 HD2 ARG A 28 2.164 -2.639 -13.561 1.00 0.00 H new ATOM 0 HD3 ARG A 28 2.236 -1.031 -12.869 1.00 0.00 H new ATOM 0 HE ARG A 28 2.310 -2.652 -10.634 1.00 0.00 H new ATOM 0 HH11 ARG A 28 4.150 -2.506 -13.649 1.00 0.00 H new ATOM 0 HH12 ARG A 28 5.623 -3.149 -12.916 1.00 0.00 H new ATOM 0 HH21 ARG A 28 4.195 -3.474 -9.698 1.00 0.00 H new ATOM 0 HH22 ARG A 28 5.649 -3.698 -10.676 1.00 0.00 H new ATOM 411 N PHE A 29 0.510 0.864 -9.052 1.00 0.00 N ATOM 412 CA PHE A 29 0.187 1.897 -8.074 1.00 0.00 C ATOM 413 C PHE A 29 -1.319 2.118 -7.994 1.00 0.00 C ATOM 414 O PHE A 29 -1.890 2.200 -6.900 1.00 0.00 O ATOM 415 CB PHE A 29 0.903 3.200 -8.428 1.00 0.00 C ATOM 416 CG PHE A 29 2.387 3.031 -8.560 1.00 0.00 C ATOM 417 CD1 PHE A 29 3.138 2.585 -7.488 1.00 0.00 C ATOM 418 CD2 PHE A 29 3.028 3.314 -9.755 1.00 0.00 C ATOM 419 CE1 PHE A 29 4.501 2.415 -7.603 1.00 0.00 C ATOM 420 CE2 PHE A 29 4.394 3.148 -9.878 1.00 0.00 C ATOM 421 CZ PHE A 29 5.133 2.700 -8.798 1.00 0.00 C ATOM 0 H PHE A 29 1.114 1.175 -9.813 1.00 0.00 H new ATOM 0 HA PHE A 29 0.531 1.563 -7.095 1.00 0.00 H new ATOM 0 HB2 PHE A 29 0.501 3.587 -9.365 1.00 0.00 H new ATOM 0 HB3 PHE A 29 0.694 3.944 -7.660 1.00 0.00 H new ATOM 0 HD1 PHE A 29 2.651 2.367 -6.549 1.00 0.00 H new ATOM 0 HD2 PHE A 29 2.454 3.668 -10.599 1.00 0.00 H new ATOM 0 HE1 PHE A 29 5.074 2.059 -6.760 1.00 0.00 H new ATOM 0 HE2 PHE A 29 4.884 3.368 -10.815 1.00 0.00 H new ATOM 0 HZ PHE A 29 6.202 2.573 -8.889 1.00 0.00 H new ATOM 430 N THR A 30 -1.955 2.182 -9.157 1.00 0.00 N ATOM 431 CA THR A 30 -3.391 2.375 -9.242 1.00 0.00 C ATOM 432 C THR A 30 -4.153 1.268 -8.499 1.00 0.00 C ATOM 433 O THR A 30 -5.088 1.555 -7.751 1.00 0.00 O ATOM 434 CB THR A 30 -3.850 2.461 -10.722 1.00 0.00 C ATOM 435 OG1 THR A 30 -5.266 2.665 -10.802 1.00 0.00 O ATOM 436 CG2 THR A 30 -3.465 1.209 -11.501 1.00 0.00 C ATOM 0 H THR A 30 -1.490 2.102 -10.061 1.00 0.00 H new ATOM 0 HA THR A 30 -3.625 3.321 -8.755 1.00 0.00 H new ATOM 0 HB THR A 30 -3.340 3.313 -11.171 1.00 0.00 H new ATOM 0 HG1 THR A 30 -5.536 2.718 -11.743 1.00 0.00 H new ATOM 0 HG21 THR A 30 -3.802 1.305 -12.533 1.00 0.00 H new ATOM 0 HG22 THR A 30 -2.382 1.088 -11.483 1.00 0.00 H new ATOM 0 HG23 THR A 30 -3.935 0.338 -11.045 1.00 0.00 H new ATOM 444 N ASP A 31 -3.713 0.014 -8.656 1.00 0.00 N ATOM 445 CA ASP A 31 -4.391 -1.125 -8.030 1.00 0.00 C ATOM 446 C ASP A 31 -4.303 -1.019 -6.520 1.00 0.00 C ATOM 447 O ASP A 31 -5.300 -1.158 -5.813 1.00 0.00 O ATOM 448 CB ASP A 31 -3.772 -2.461 -8.457 1.00 0.00 C ATOM 449 CG ASP A 31 -3.661 -2.627 -9.957 1.00 0.00 C ATOM 450 OD1 ASP A 31 -4.695 -2.560 -10.655 1.00 0.00 O ATOM 451 OD2 ASP A 31 -2.530 -2.832 -10.445 1.00 0.00 O ATOM 0 H ASP A 31 -2.893 -0.236 -9.209 1.00 0.00 H new ATOM 0 HA ASP A 31 -5.431 -1.097 -8.357 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -2.779 -2.549 -8.016 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -4.373 -3.276 -8.053 1.00 0.00 H new ATOM 455 N MET A 32 -3.095 -0.763 -6.035 1.00 0.00 N ATOM 456 CA MET A 32 -2.844 -0.649 -4.604 1.00 0.00 C ATOM 457 C MET A 32 -3.692 0.469 -4.002 1.00 0.00 C ATOM 458 O MET A 32 -4.233 0.325 -2.906 1.00 0.00 O ATOM 459 CB MET A 32 -1.353 -0.401 -4.357 1.00 0.00 C ATOM 460 CG MET A 32 -0.937 -0.516 -2.899 1.00 0.00 C ATOM 461 SD MET A 32 -1.209 0.997 -1.957 1.00 0.00 S ATOM 462 CE MET A 32 0.137 2.006 -2.563 1.00 0.00 C ATOM 0 H MET A 32 -2.268 -0.629 -6.617 1.00 0.00 H new ATOM 0 HA MET A 32 -3.125 -1.582 -4.116 1.00 0.00 H new ATOM 0 HB2 MET A 32 -0.775 -1.113 -4.946 1.00 0.00 H new ATOM 0 HB3 MET A 32 -1.096 0.594 -4.719 1.00 0.00 H new ATOM 0 HG2 MET A 32 -1.492 -1.330 -2.433 1.00 0.00 H new ATOM 0 HG3 MET A 32 0.119 -0.781 -2.850 1.00 0.00 H new ATOM 0 HE1 MET A 32 0.265 2.871 -1.912 1.00 0.00 H new ATOM 0 HE2 MET A 32 1.056 1.420 -2.572 1.00 0.00 H new ATOM 0 HE3 MET A 32 -0.088 2.343 -3.575 1.00 0.00 H new ATOM 470 N HIS A 33 -3.843 1.562 -4.749 1.00 0.00 N ATOM 471 CA HIS A 33 -4.640 2.703 -4.300 1.00 0.00 C ATOM 472 C HIS A 33 -6.098 2.299 -4.054 1.00 0.00 C ATOM 473 O HIS A 33 -6.801 2.941 -3.273 1.00 0.00 O ATOM 474 CB HIS A 33 -4.558 3.846 -5.330 1.00 0.00 C ATOM 475 CG HIS A 33 -5.464 5.011 -5.044 1.00 0.00 C ATOM 476 ND1 HIS A 33 -5.489 5.685 -3.839 1.00 0.00 N ATOM 477 CD2 HIS A 33 -6.404 5.599 -5.818 1.00 0.00 C ATOM 478 CE1 HIS A 33 -6.411 6.632 -3.888 1.00 0.00 C ATOM 479 NE2 HIS A 33 -6.976 6.601 -5.075 1.00 0.00 N ATOM 0 H HIS A 33 -3.422 1.681 -5.671 1.00 0.00 H new ATOM 0 HA HIS A 33 -4.230 3.054 -3.353 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -3.530 4.205 -5.375 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -4.800 3.448 -6.315 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -6.658 5.330 -6.833 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -6.658 7.315 -3.089 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -7.720 7.222 -5.393 1.00 0.00 H new ATOM 487 N GLN A 34 -6.547 1.233 -4.701 1.00 0.00 N ATOM 488 CA GLN A 34 -7.920 0.772 -4.533 1.00 0.00 C ATOM 489 C GLN A 34 -8.090 0.034 -3.215 1.00 0.00 C ATOM 490 O GLN A 34 -9.099 0.195 -2.530 1.00 0.00 O ATOM 491 CB GLN A 34 -8.350 -0.127 -5.695 1.00 0.00 C ATOM 492 CG GLN A 34 -9.187 0.593 -6.740 1.00 0.00 C ATOM 493 CD GLN A 34 -8.439 1.729 -7.400 1.00 0.00 C ATOM 494 OE1 GLN A 34 -8.459 2.867 -6.922 1.00 0.00 O ATOM 495 NE2 GLN A 34 -7.782 1.434 -8.506 1.00 0.00 N ATOM 0 H GLN A 34 -5.986 0.673 -5.343 1.00 0.00 H new ATOM 0 HA GLN A 34 -8.560 1.654 -4.525 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -7.462 -0.539 -6.173 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -8.920 -0.969 -5.301 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -9.503 -0.120 -7.501 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -10.091 0.982 -6.272 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -7.792 0.480 -8.866 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -7.264 2.160 -9.001 1.00 0.00 H new ATOM 502 N TRP A 35 -7.095 -0.759 -2.855 1.00 0.00 N ATOM 503 CA TRP A 35 -7.168 -1.558 -1.643 1.00 0.00 C ATOM 504 C TRP A 35 -6.830 -0.716 -0.420 1.00 0.00 C ATOM 505 O TRP A 35 -7.524 -0.776 0.594 1.00 0.00 O ATOM 506 CB TRP A 35 -6.225 -2.760 -1.734 1.00 0.00 C ATOM 507 CG TRP A 35 -6.463 -3.603 -2.949 1.00 0.00 C ATOM 508 CD1 TRP A 35 -7.661 -4.074 -3.398 1.00 0.00 C ATOM 509 CD2 TRP A 35 -5.473 -4.081 -3.865 1.00 0.00 C ATOM 510 NE1 TRP A 35 -7.479 -4.804 -4.547 1.00 0.00 N ATOM 511 CE2 TRP A 35 -6.145 -4.827 -4.852 1.00 0.00 C ATOM 512 CE3 TRP A 35 -4.085 -3.946 -3.951 1.00 0.00 C ATOM 513 CZ2 TRP A 35 -5.473 -5.436 -5.909 1.00 0.00 C ATOM 514 CZ3 TRP A 35 -3.420 -4.552 -4.999 1.00 0.00 C ATOM 515 CH2 TRP A 35 -4.114 -5.288 -5.966 1.00 0.00 C ATOM 0 H TRP A 35 -6.229 -0.867 -3.383 1.00 0.00 H new ATOM 0 HA TRP A 35 -8.190 -1.923 -1.539 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -5.194 -2.406 -1.741 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -6.344 -3.376 -0.843 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -8.614 -3.899 -2.920 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -8.218 -5.256 -5.086 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -3.541 -3.378 -3.211 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -6.006 -6.005 -6.657 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -2.347 -4.456 -5.073 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -3.565 -5.749 -6.774 1.00 0.00 H new ATOM 525 N ILE A 36 -5.780 0.091 -0.534 1.00 0.00 N ATOM 526 CA ILE A 36 -5.302 0.887 0.588 1.00 0.00 C ATOM 527 C ILE A 36 -6.333 1.951 0.981 1.00 0.00 C ATOM 528 O ILE A 36 -6.483 2.284 2.156 1.00 0.00 O ATOM 529 CB ILE A 36 -3.921 1.524 0.259 1.00 0.00 C ATOM 530 CG1 ILE A 36 -3.197 2.001 1.526 1.00 0.00 C ATOM 531 CG2 ILE A 36 -4.047 2.666 -0.743 1.00 0.00 C ATOM 532 CD1 ILE A 36 -3.670 3.329 2.083 1.00 0.00 C ATOM 0 H ILE A 36 -5.244 0.210 -1.394 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.168 0.228 1.446 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.319 0.739 -0.199 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.312 1.240 2.298 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.131 2.076 1.309 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.060 3.083 -0.945 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.479 2.290 -1.670 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.691 3.442 -0.331 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.095 3.574 2.976 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.528 4.109 1.335 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.727 3.260 2.339 1.00 0.00 H new ATOM 543 N CYS A 37 -7.079 2.447 0.004 1.00 0.00 N ATOM 544 CA CYS A 37 -8.057 3.492 0.266 1.00 0.00 C ATOM 545 C CYS A 37 -9.266 2.930 1.005 1.00 0.00 C ATOM 546 O CYS A 37 -9.991 3.666 1.672 1.00 0.00 O ATOM 547 CB CYS A 37 -8.493 4.167 -1.037 1.00 0.00 C ATOM 548 SG CYS A 37 -9.546 5.619 -0.807 1.00 0.00 S ATOM 0 H CYS A 37 -7.027 2.146 -0.969 1.00 0.00 H new ATOM 0 HA CYS A 37 -7.586 4.242 0.901 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -7.604 4.462 -1.595 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -9.026 3.439 -1.649 1.00 0.00 H new ATOM 0 HG CYS A 37 -10.199 5.509 0.312 1.00 0.00 H new ATOM 553 N ASP A 38 -9.465 1.621 0.919 1.00 0.00 N ATOM 554 CA ASP A 38 -10.623 0.996 1.541 1.00 0.00 C ATOM 555 C ASP A 38 -10.196 0.176 2.756 1.00 0.00 C ATOM 556 O ASP A 38 -10.848 -0.793 3.138 1.00 0.00 O ATOM 557 CB ASP A 38 -11.370 0.126 0.524 1.00 0.00 C ATOM 558 CG ASP A 38 -12.778 -0.220 0.973 1.00 0.00 C ATOM 559 OD1 ASP A 38 -13.535 0.703 1.334 1.00 0.00 O ATOM 560 OD2 ASP A 38 -13.143 -1.415 0.950 1.00 0.00 O ATOM 0 H ASP A 38 -8.845 0.977 0.429 1.00 0.00 H new ATOM 0 HA ASP A 38 -11.303 1.777 1.882 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -11.416 0.649 -0.431 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -10.810 -0.794 0.358 1.00 0.00 H new ATOM 564 N LEU A 39 -9.083 0.572 3.358 1.00 0.00 N ATOM 565 CA LEU A 39 -8.617 -0.061 4.583 1.00 0.00 C ATOM 566 C LEU A 39 -9.355 0.515 5.781 1.00 0.00 C ATOM 567 O LEU A 39 -9.575 1.725 5.862 1.00 0.00 O ATOM 568 CB LEU A 39 -7.111 0.155 4.766 1.00 0.00 C ATOM 569 CG LEU A 39 -6.219 -0.488 3.706 1.00 0.00 C ATOM 570 CD1 LEU A 39 -4.753 -0.245 4.028 1.00 0.00 C ATOM 571 CD2 LEU A 39 -6.507 -1.975 3.601 1.00 0.00 C ATOM 0 H LEU A 39 -8.487 1.327 3.019 1.00 0.00 H new ATOM 0 HA LEU A 39 -8.815 -1.130 4.509 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.915 1.227 4.779 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.822 -0.234 5.743 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.438 -0.029 2.742 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.131 -0.710 3.263 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.559 0.827 4.052 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.517 -0.678 5.000 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -5.863 -2.418 2.841 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.315 -2.452 4.562 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -7.551 -2.125 3.324 1.00 0.00 H new ATOM 582 N GLU A 40 -9.730 -0.359 6.710 1.00 0.00 N ATOM 583 CA GLU A 40 -10.397 0.057 7.940 1.00 0.00 C ATOM 584 C GLU A 40 -9.482 0.946 8.770 1.00 0.00 C ATOM 585 O GLU A 40 -9.942 1.789 9.541 1.00 0.00 O ATOM 586 CB GLU A 40 -10.803 -1.160 8.770 1.00 0.00 C ATOM 587 CG GLU A 40 -11.788 -2.082 8.073 1.00 0.00 C ATOM 588 CD GLU A 40 -12.186 -3.251 8.945 1.00 0.00 C ATOM 589 OE1 GLU A 40 -13.038 -3.067 9.840 1.00 0.00 O ATOM 590 OE2 GLU A 40 -11.647 -4.356 8.746 1.00 0.00 O ATOM 0 H GLU A 40 -9.582 -1.365 6.634 1.00 0.00 H new ATOM 0 HA GLU A 40 -11.290 0.617 7.663 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -9.908 -1.728 9.026 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -11.242 -0.818 9.707 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -12.678 -1.518 7.795 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -11.345 -2.454 7.149 1.00 0.00 H new ATOM 595 N ASP A 41 -8.182 0.744 8.611 1.00 0.00 N ATOM 596 CA ASP A 41 -7.195 1.535 9.327 1.00 0.00 C ATOM 597 C ASP A 41 -6.913 2.838 8.592 1.00 0.00 C ATOM 598 O ASP A 41 -6.390 3.786 9.172 1.00 0.00 O ATOM 599 CB ASP A 41 -5.897 0.746 9.502 1.00 0.00 C ATOM 600 CG ASP A 41 -6.101 -0.539 10.274 1.00 0.00 C ATOM 601 OD1 ASP A 41 -6.058 -0.503 11.521 1.00 0.00 O ATOM 602 OD2 ASP A 41 -6.307 -1.594 9.634 1.00 0.00 O ATOM 0 H ASP A 41 -7.787 0.037 7.991 1.00 0.00 H new ATOM 0 HA ASP A 41 -7.601 1.769 10.311 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -5.481 0.515 8.521 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -5.166 1.366 10.021 1.00 0.00 H new ATOM 606 N PHE A 42 -7.262 2.886 7.314 1.00 0.00 N ATOM 607 CA PHE A 42 -7.092 4.104 6.538 1.00 0.00 C ATOM 608 C PHE A 42 -8.251 5.056 6.800 1.00 0.00 C ATOM 609 O PHE A 42 -9.414 4.718 6.569 1.00 0.00 O ATOM 610 CB PHE A 42 -6.985 3.797 5.044 1.00 0.00 C ATOM 611 CG PHE A 42 -6.796 5.025 4.200 1.00 0.00 C ATOM 612 CD1 PHE A 42 -5.575 5.681 4.179 1.00 0.00 C ATOM 613 CD2 PHE A 42 -7.839 5.529 3.441 1.00 0.00 C ATOM 614 CE1 PHE A 42 -5.399 6.815 3.411 1.00 0.00 C ATOM 615 CE2 PHE A 42 -7.667 6.663 2.672 1.00 0.00 C ATOM 616 CZ PHE A 42 -6.446 7.308 2.658 1.00 0.00 C ATOM 0 H PHE A 42 -7.661 2.102 6.797 1.00 0.00 H new ATOM 0 HA PHE A 42 -6.162 4.579 6.850 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -6.149 3.118 4.878 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -7.887 3.277 4.721 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -4.754 5.302 4.769 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -8.797 5.030 3.451 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -4.442 7.316 3.399 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -8.487 7.045 2.082 1.00 0.00 H new ATOM 0 HZ PHE A 42 -6.310 8.196 2.059 1.00 0.00 H new ATOM 625 N ASP A 43 -7.923 6.240 7.290 1.00 0.00 N ATOM 626 CA ASP A 43 -8.921 7.244 7.619 1.00 0.00 C ATOM 627 C ASP A 43 -8.233 8.597 7.737 1.00 0.00 C ATOM 628 O ASP A 43 -8.283 9.247 8.783 1.00 0.00 O ATOM 629 CB ASP A 43 -9.619 6.877 8.940 1.00 0.00 C ATOM 630 CG ASP A 43 -10.856 7.712 9.216 1.00 0.00 C ATOM 631 OD1 ASP A 43 -11.939 7.350 8.719 1.00 0.00 O ATOM 632 OD2 ASP A 43 -10.755 8.719 9.946 1.00 0.00 O ATOM 0 H ASP A 43 -6.962 6.531 7.470 1.00 0.00 H new ATOM 0 HA ASP A 43 -9.677 7.289 6.835 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -9.898 5.824 8.915 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -8.914 7.001 9.762 1.00 0.00 H new ATOM 636 N ASP A 44 -7.559 9.016 6.670 1.00 0.00 N ATOM 637 CA ASP A 44 -6.688 10.182 6.751 1.00 0.00 C ATOM 638 C ASP A 44 -6.829 11.108 5.548 1.00 0.00 C ATOM 639 O ASP A 44 -7.678 11.996 5.554 1.00 0.00 O ATOM 640 CB ASP A 44 -5.234 9.737 6.951 1.00 0.00 C ATOM 641 CG ASP A 44 -5.031 9.138 8.327 1.00 0.00 C ATOM 642 OD1 ASP A 44 -5.370 7.953 8.527 1.00 0.00 O ATOM 643 OD2 ASP A 44 -4.587 9.868 9.239 1.00 0.00 O ATOM 0 H ASP A 44 -7.598 8.573 5.752 1.00 0.00 H new ATOM 0 HA ASP A 44 -7.001 10.767 7.616 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -4.967 9.005 6.189 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -4.568 10.590 6.821 1.00 0.00 H new ATOM 647 N ASP A 45 -6.022 10.905 4.513 1.00 0.00 N ATOM 648 CA ASP A 45 -6.014 11.833 3.381 1.00 0.00 C ATOM 649 C ASP A 45 -6.372 11.136 2.076 1.00 0.00 C ATOM 650 O ASP A 45 -5.495 10.756 1.314 1.00 0.00 O ATOM 651 CB ASP A 45 -4.638 12.495 3.222 1.00 0.00 C ATOM 652 CG ASP A 45 -4.204 13.295 4.434 1.00 0.00 C ATOM 653 OD1 ASP A 45 -4.557 14.491 4.526 1.00 0.00 O ATOM 654 OD2 ASP A 45 -3.485 12.740 5.288 1.00 0.00 O ATOM 0 H ASP A 45 -5.374 10.121 4.431 1.00 0.00 H new ATOM 0 HA ASP A 45 -6.767 12.591 3.596 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -3.894 11.724 3.021 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -4.659 13.152 2.352 1.00 0.00 H new ATOM 658 N PRO A 46 -7.663 10.983 1.770 1.00 0.00 N ATOM 659 CA PRO A 46 -8.090 10.379 0.508 1.00 0.00 C ATOM 660 C PRO A 46 -7.967 11.358 -0.657 1.00 0.00 C ATOM 661 O PRO A 46 -8.238 11.021 -1.805 1.00 0.00 O ATOM 662 CB PRO A 46 -9.552 10.028 0.765 1.00 0.00 C ATOM 663 CG PRO A 46 -10.011 11.025 1.777 1.00 0.00 C ATOM 664 CD PRO A 46 -8.807 11.384 2.610 1.00 0.00 C ATOM 0 HA PRO A 46 -7.479 9.520 0.229 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -10.141 10.093 -0.150 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -9.655 9.009 1.139 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -10.422 11.909 1.290 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -10.802 10.608 2.400 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -8.782 12.450 2.837 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -8.808 10.855 3.563 1.00 0.00 H new ATOM 669 N GLN A 47 -7.549 12.578 -0.340 1.00 0.00 N ATOM 670 CA GLN A 47 -7.413 13.631 -1.335 1.00 0.00 C ATOM 671 C GLN A 47 -6.066 13.539 -2.048 1.00 0.00 C ATOM 672 O GLN A 47 -5.885 14.106 -3.126 1.00 0.00 O ATOM 673 CB GLN A 47 -7.544 15.002 -0.666 1.00 0.00 C ATOM 674 CG GLN A 47 -8.840 15.196 0.093 1.00 0.00 C ATOM 675 CD GLN A 47 -8.856 16.480 0.901 1.00 0.00 C ATOM 676 OE1 GLN A 47 -8.423 16.504 2.052 1.00 0.00 O ATOM 677 NE2 GLN A 47 -9.361 17.549 0.312 1.00 0.00 N ATOM 0 H GLN A 47 -7.297 12.862 0.607 1.00 0.00 H new ATOM 0 HA GLN A 47 -8.206 13.505 -2.072 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -6.709 15.141 0.020 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -7.462 15.776 -1.429 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -9.672 15.204 -0.612 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -8.996 14.349 0.761 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -9.710 17.487 -0.644 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -9.402 18.436 0.814 1.00 0.00 H new ATOM 684 N ALA A 48 -5.122 12.827 -1.446 1.00 0.00 N ATOM 685 CA ALA A 48 -3.783 12.731 -2.002 1.00 0.00 C ATOM 686 C ALA A 48 -3.356 11.286 -2.182 1.00 0.00 C ATOM 687 O ALA A 48 -3.461 10.476 -1.267 1.00 0.00 O ATOM 688 CB ALA A 48 -2.784 13.453 -1.115 1.00 0.00 C ATOM 0 H ALA A 48 -5.260 12.311 -0.577 1.00 0.00 H new ATOM 0 HA ALA A 48 -3.803 13.206 -2.983 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.787 13.370 -1.548 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.060 14.505 -1.038 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -2.787 13.003 -0.122 1.00 0.00 H new ATOM 694 N SER A 49 -2.888 10.973 -3.375 1.00 0.00 N ATOM 695 CA SER A 49 -2.324 9.670 -3.677 1.00 0.00 C ATOM 696 C SER A 49 -1.402 9.775 -4.889 1.00 0.00 C ATOM 697 O SER A 49 -1.590 9.091 -5.896 1.00 0.00 O ATOM 698 CB SER A 49 -3.436 8.642 -3.927 1.00 0.00 C ATOM 699 OG SER A 49 -4.145 8.344 -2.737 1.00 0.00 O ATOM 0 H SER A 49 -2.888 11.617 -4.166 1.00 0.00 H new ATOM 0 HA SER A 49 -1.742 9.331 -2.820 1.00 0.00 H new ATOM 0 HB2 SER A 49 -4.127 9.027 -4.677 1.00 0.00 H new ATOM 0 HB3 SER A 49 -3.003 7.728 -4.332 1.00 0.00 H new ATOM 0 HG SER A 49 -3.602 7.756 -2.171 1.00 0.00 H new ATOM 704 N ASN A 50 -0.419 10.669 -4.781 1.00 0.00 N ATOM 705 CA ASN A 50 0.588 10.862 -5.828 1.00 0.00 C ATOM 706 C ASN A 50 1.321 9.552 -6.121 1.00 0.00 C ATOM 707 O ASN A 50 1.408 8.688 -5.245 1.00 0.00 O ATOM 708 CB ASN A 50 1.594 11.937 -5.390 1.00 0.00 C ATOM 709 CG ASN A 50 2.667 12.219 -6.431 1.00 0.00 C ATOM 710 OD1 ASN A 50 2.414 12.155 -7.630 1.00 0.00 O ATOM 711 ND2 ASN A 50 3.874 12.518 -5.978 1.00 0.00 N ATOM 0 H ASN A 50 -0.297 11.277 -3.971 1.00 0.00 H new ATOM 0 HA ASN A 50 0.084 11.187 -6.738 1.00 0.00 H new ATOM 0 HB2 ASN A 50 1.057 12.860 -5.173 1.00 0.00 H new ATOM 0 HB3 ASN A 50 2.072 11.621 -4.463 1.00 0.00 H new ATOM 0 HD21 ASN A 50 4.633 12.705 -6.633 1.00 0.00 H new ATOM 0 HD22 ASN A 50 4.045 12.562 -4.973 1.00 0.00 H new ATOM 717 N GLU A 51 1.842 9.397 -7.333 1.00 0.00 N ATOM 718 CA GLU A 51 2.523 8.161 -7.707 1.00 0.00 C ATOM 719 C GLU A 51 3.629 7.812 -6.720 1.00 0.00 C ATOM 720 O GLU A 51 3.667 6.697 -6.215 1.00 0.00 O ATOM 721 CB GLU A 51 3.096 8.230 -9.121 1.00 0.00 C ATOM 722 CG GLU A 51 2.045 8.141 -10.211 1.00 0.00 C ATOM 723 CD GLU A 51 2.644 7.784 -11.553 1.00 0.00 C ATOM 724 OE1 GLU A 51 3.111 8.697 -12.262 1.00 0.00 O ATOM 725 OE2 GLU A 51 2.673 6.583 -11.895 1.00 0.00 O ATOM 0 H GLU A 51 1.807 10.104 -8.068 1.00 0.00 H new ATOM 0 HA GLU A 51 1.769 7.374 -7.681 1.00 0.00 H new ATOM 0 HB2 GLU A 51 3.646 9.164 -9.235 1.00 0.00 H new ATOM 0 HB3 GLU A 51 3.813 7.419 -9.253 1.00 0.00 H new ATOM 0 HG2 GLU A 51 1.301 7.393 -9.936 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.524 9.095 -10.290 1.00 0.00 H new ATOM 730 N LYS A 52 4.511 8.766 -6.429 1.00 0.00 N ATOM 731 CA LYS A 52 5.614 8.525 -5.497 1.00 0.00 C ATOM 732 C LYS A 52 5.104 8.245 -4.084 1.00 0.00 C ATOM 733 O LYS A 52 5.772 7.566 -3.301 1.00 0.00 O ATOM 734 CB LYS A 52 6.596 9.697 -5.503 1.00 0.00 C ATOM 735 CG LYS A 52 7.497 9.703 -6.726 1.00 0.00 C ATOM 736 CD LYS A 52 8.481 10.860 -6.703 1.00 0.00 C ATOM 737 CE LYS A 52 9.521 10.725 -7.807 1.00 0.00 C ATOM 738 NZ LYS A 52 8.899 10.642 -9.159 1.00 0.00 N ATOM 0 H LYS A 52 4.486 9.707 -6.821 1.00 0.00 H new ATOM 0 HA LYS A 52 6.144 7.635 -5.835 1.00 0.00 H new ATOM 0 HB2 LYS A 52 6.038 10.633 -5.464 1.00 0.00 H new ATOM 0 HB3 LYS A 52 7.211 9.654 -4.604 1.00 0.00 H new ATOM 0 HG2 LYS A 52 8.045 8.762 -6.777 1.00 0.00 H new ATOM 0 HG3 LYS A 52 6.886 9.765 -7.626 1.00 0.00 H new ATOM 0 HD2 LYS A 52 7.943 11.800 -6.821 1.00 0.00 H new ATOM 0 HD3 LYS A 52 8.979 10.897 -5.734 1.00 0.00 H new ATOM 0 HE2 LYS A 52 10.198 11.578 -7.772 1.00 0.00 H new ATOM 0 HE3 LYS A 52 10.122 9.833 -7.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 9.641 10.688 -9.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 8.381 9.744 -9.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 8.240 11.436 -9.287 1.00 0.00 H new ATOM 748 N ILE A 53 3.920 8.758 -3.769 1.00 0.00 N ATOM 749 CA ILE A 53 3.244 8.423 -2.519 1.00 0.00 C ATOM 750 C ILE A 53 2.933 6.929 -2.490 1.00 0.00 C ATOM 751 O ILE A 53 3.311 6.217 -1.560 1.00 0.00 O ATOM 752 CB ILE A 53 1.935 9.233 -2.359 1.00 0.00 C ATOM 753 CG1 ILE A 53 2.243 10.699 -2.037 1.00 0.00 C ATOM 754 CG2 ILE A 53 1.038 8.625 -1.288 1.00 0.00 C ATOM 755 CD1 ILE A 53 2.862 10.903 -0.669 1.00 0.00 C ATOM 0 H ILE A 53 3.407 9.409 -4.363 1.00 0.00 H new ATOM 0 HA ILE A 53 3.906 8.678 -1.691 1.00 0.00 H new ATOM 0 HB ILE A 53 1.399 9.193 -3.307 1.00 0.00 H new ATOM 0 HG12 ILE A 53 2.919 11.094 -2.795 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.321 11.277 -2.099 1.00 0.00 H new ATOM 0 HG21 ILE A 53 0.126 9.216 -1.199 1.00 0.00 H new ATOM 0 HG22 ILE A 53 0.782 7.602 -1.565 1.00 0.00 H new ATOM 0 HG23 ILE A 53 1.563 8.621 -0.333 1.00 0.00 H new ATOM 0 HD11 ILE A 53 3.053 11.964 -0.510 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.178 10.539 0.098 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.801 10.353 -0.609 1.00 0.00 H new ATOM 766 N LEU A 54 2.273 6.464 -3.540 1.00 0.00 N ATOM 767 CA LEU A 54 1.923 5.057 -3.676 1.00 0.00 C ATOM 768 C LEU A 54 3.183 4.209 -3.842 1.00 0.00 C ATOM 769 O LEU A 54 3.261 3.084 -3.354 1.00 0.00 O ATOM 770 CB LEU A 54 1.006 4.866 -4.890 1.00 0.00 C ATOM 771 CG LEU A 54 -0.272 5.715 -4.890 1.00 0.00 C ATOM 772 CD1 LEU A 54 -0.997 5.589 -6.221 1.00 0.00 C ATOM 773 CD2 LEU A 54 -1.190 5.306 -3.750 1.00 0.00 C ATOM 0 H LEU A 54 1.966 7.047 -4.318 1.00 0.00 H new ATOM 0 HA LEU A 54 1.401 4.737 -2.774 1.00 0.00 H new ATOM 0 HB2 LEU A 54 1.574 5.094 -5.792 1.00 0.00 H new ATOM 0 HB3 LEU A 54 0.724 3.815 -4.949 1.00 0.00 H new ATOM 0 HG LEU A 54 0.013 6.757 -4.746 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.901 6.198 -6.202 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -0.345 5.932 -7.024 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.266 4.546 -6.392 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.090 5.921 -3.769 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.465 4.257 -3.862 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.675 5.446 -2.800 1.00 0.00 H new ATOM 784 N GLU A 55 4.167 4.781 -4.523 1.00 0.00 N ATOM 785 CA GLU A 55 5.415 4.100 -4.833 1.00 0.00 C ATOM 786 C GLU A 55 6.172 3.731 -3.568 1.00 0.00 C ATOM 787 O GLU A 55 6.687 2.624 -3.456 1.00 0.00 O ATOM 788 CB GLU A 55 6.280 4.986 -5.730 1.00 0.00 C ATOM 789 CG GLU A 55 7.502 4.289 -6.301 1.00 0.00 C ATOM 790 CD GLU A 55 8.259 5.168 -7.271 1.00 0.00 C ATOM 791 OE1 GLU A 55 7.864 5.234 -8.454 1.00 0.00 O ATOM 792 OE2 GLU A 55 9.248 5.802 -6.856 1.00 0.00 O ATOM 0 H GLU A 55 4.121 5.736 -4.878 1.00 0.00 H new ATOM 0 HA GLU A 55 5.178 3.176 -5.360 1.00 0.00 H new ATOM 0 HB2 GLU A 55 5.669 5.357 -6.553 1.00 0.00 H new ATOM 0 HB3 GLU A 55 6.605 5.855 -5.158 1.00 0.00 H new ATOM 0 HG2 GLU A 55 8.164 3.995 -5.487 1.00 0.00 H new ATOM 0 HG3 GLU A 55 7.193 3.374 -6.807 1.00 0.00 H new ATOM 797 N ALA A 56 6.220 4.650 -2.615 1.00 0.00 N ATOM 798 CA ALA A 56 6.900 4.394 -1.349 1.00 0.00 C ATOM 799 C ALA A 56 6.296 3.181 -0.646 1.00 0.00 C ATOM 800 O ALA A 56 7.011 2.341 -0.097 1.00 0.00 O ATOM 801 CB ALA A 56 6.820 5.618 -0.453 1.00 0.00 C ATOM 0 H ALA A 56 5.799 5.576 -2.691 1.00 0.00 H new ATOM 0 HA ALA A 56 7.948 4.180 -1.559 1.00 0.00 H new ATOM 0 HB1 ALA A 56 7.331 5.414 0.488 1.00 0.00 H new ATOM 0 HB2 ALA A 56 7.297 6.464 -0.949 1.00 0.00 H new ATOM 0 HB3 ALA A 56 5.775 5.856 -0.254 1.00 0.00 H new ATOM 807 N ILE A 57 4.975 3.096 -0.693 1.00 0.00 N ATOM 808 CA ILE A 57 4.246 1.995 -0.077 1.00 0.00 C ATOM 809 C ILE A 57 4.442 0.709 -0.879 1.00 0.00 C ATOM 810 O ILE A 57 4.496 -0.389 -0.325 1.00 0.00 O ATOM 811 CB ILE A 57 2.742 2.336 0.014 1.00 0.00 C ATOM 812 CG1 ILE A 57 2.551 3.652 0.774 1.00 0.00 C ATOM 813 CG2 ILE A 57 1.966 1.213 0.686 1.00 0.00 C ATOM 814 CD1 ILE A 57 1.116 4.125 0.832 1.00 0.00 C ATOM 0 H ILE A 57 4.380 3.783 -1.156 1.00 0.00 H new ATOM 0 HA ILE A 57 4.637 1.842 0.929 1.00 0.00 H new ATOM 0 HB ILE A 57 2.352 2.451 -0.997 1.00 0.00 H new ATOM 0 HG12 ILE A 57 2.924 3.530 1.791 1.00 0.00 H new ATOM 0 HG13 ILE A 57 3.159 4.424 0.302 1.00 0.00 H new ATOM 0 HG21 ILE A 57 0.910 1.480 0.737 1.00 0.00 H new ATOM 0 HG22 ILE A 57 2.081 0.295 0.109 1.00 0.00 H new ATOM 0 HG23 ILE A 57 2.350 1.058 1.694 1.00 0.00 H new ATOM 0 HD11 ILE A 57 1.064 5.062 1.386 1.00 0.00 H new ATOM 0 HD12 ILE A 57 0.743 4.281 -0.180 1.00 0.00 H new ATOM 0 HD13 ILE A 57 0.505 3.373 1.332 1.00 0.00 H new ATOM 825 N LEU A 58 4.568 0.863 -2.188 1.00 0.00 N ATOM 826 CA LEU A 58 4.768 -0.269 -3.082 1.00 0.00 C ATOM 827 C LEU A 58 6.188 -0.823 -2.916 1.00 0.00 C ATOM 828 O LEU A 58 6.388 -2.034 -2.869 1.00 0.00 O ATOM 829 CB LEU A 58 4.514 0.179 -4.533 1.00 0.00 C ATOM 830 CG LEU A 58 4.029 -0.904 -5.511 1.00 0.00 C ATOM 831 CD1 LEU A 58 5.131 -1.898 -5.829 1.00 0.00 C ATOM 832 CD2 LEU A 58 2.808 -1.620 -4.948 1.00 0.00 C ATOM 0 H LEU A 58 4.535 1.768 -2.658 1.00 0.00 H new ATOM 0 HA LEU A 58 4.066 -1.065 -2.834 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.776 0.981 -4.518 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.438 0.604 -4.925 1.00 0.00 H new ATOM 0 HG LEU A 58 3.748 -0.412 -6.442 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.754 -2.650 -6.523 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.973 -1.375 -6.283 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.459 -2.384 -4.910 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.477 -2.383 -5.652 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.067 -2.089 -3.999 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.005 -0.900 -4.789 1.00 0.00 H new ATOM 843 N LEU A 59 7.161 0.078 -2.802 1.00 0.00 N ATOM 844 CA LEU A 59 8.568 -0.298 -2.672 1.00 0.00 C ATOM 845 C LEU A 59 8.817 -1.143 -1.425 1.00 0.00 C ATOM 846 O LEU A 59 9.532 -2.146 -1.483 1.00 0.00 O ATOM 847 CB LEU A 59 9.457 0.949 -2.633 1.00 0.00 C ATOM 848 CG LEU A 59 9.515 1.759 -3.931 1.00 0.00 C ATOM 849 CD1 LEU A 59 10.369 3.004 -3.745 1.00 0.00 C ATOM 850 CD2 LEU A 59 10.054 0.908 -5.072 1.00 0.00 C ATOM 0 H LEU A 59 6.998 1.085 -2.797 1.00 0.00 H new ATOM 0 HA LEU A 59 8.822 -0.898 -3.546 1.00 0.00 H new ATOM 0 HB2 LEU A 59 9.103 1.601 -1.834 1.00 0.00 H new ATOM 0 HB3 LEU A 59 10.470 0.644 -2.370 1.00 0.00 H new ATOM 0 HG LEU A 59 8.502 2.070 -4.185 1.00 0.00 H new ATOM 0 HD11 LEU A 59 10.399 3.567 -4.678 1.00 0.00 H new ATOM 0 HD12 LEU A 59 9.940 3.626 -2.959 1.00 0.00 H new ATOM 0 HD13 LEU A 59 11.381 2.712 -3.465 1.00 0.00 H new ATOM 0 HD21 LEU A 59 10.087 1.502 -5.985 1.00 0.00 H new ATOM 0 HD22 LEU A 59 11.059 0.564 -4.826 1.00 0.00 H new ATOM 0 HD23 LEU A 59 9.403 0.047 -5.223 1.00 0.00 H new ATOM 861 N VAL A 60 8.233 -0.740 -0.300 1.00 0.00 N ATOM 862 CA VAL A 60 8.400 -1.489 0.941 1.00 0.00 C ATOM 863 C VAL A 60 7.698 -2.844 0.838 1.00 0.00 C ATOM 864 O VAL A 60 8.188 -3.850 1.350 1.00 0.00 O ATOM 865 CB VAL A 60 7.884 -0.700 2.175 1.00 0.00 C ATOM 866 CG1 VAL A 60 6.397 -0.410 2.080 1.00 0.00 C ATOM 867 CG2 VAL A 60 8.208 -1.441 3.463 1.00 0.00 C ATOM 0 H VAL A 60 7.647 0.091 -0.222 1.00 0.00 H new ATOM 0 HA VAL A 60 9.468 -1.649 1.086 1.00 0.00 H new ATOM 0 HB VAL A 60 8.402 0.259 2.187 1.00 0.00 H new ATOM 0 HG11 VAL A 60 6.077 0.143 2.963 1.00 0.00 H new ATOM 0 HG12 VAL A 60 6.198 0.184 1.188 1.00 0.00 H new ATOM 0 HG13 VAL A 60 5.846 -1.349 2.021 1.00 0.00 H new ATOM 0 HG21 VAL A 60 7.837 -0.870 4.314 1.00 0.00 H new ATOM 0 HG22 VAL A 60 7.732 -2.421 3.448 1.00 0.00 H new ATOM 0 HG23 VAL A 60 9.288 -1.563 3.551 1.00 0.00 H new ATOM 877 N TRP A 61 6.571 -2.868 0.134 1.00 0.00 N ATOM 878 CA TRP A 61 5.823 -4.098 -0.084 1.00 0.00 C ATOM 879 C TRP A 61 6.667 -5.073 -0.903 1.00 0.00 C ATOM 880 O TRP A 61 6.690 -6.270 -0.629 1.00 0.00 O ATOM 881 CB TRP A 61 4.506 -3.780 -0.805 1.00 0.00 C ATOM 882 CG TRP A 61 3.493 -4.896 -0.803 1.00 0.00 C ATOM 883 CD1 TRP A 61 3.591 -6.111 -0.185 1.00 0.00 C ATOM 884 CD2 TRP A 61 2.215 -4.881 -1.446 1.00 0.00 C ATOM 885 NE1 TRP A 61 2.456 -6.852 -0.415 1.00 0.00 N ATOM 886 CE2 TRP A 61 1.596 -6.117 -1.183 1.00 0.00 C ATOM 887 CE3 TRP A 61 1.535 -3.941 -2.223 1.00 0.00 C ATOM 888 CZ2 TRP A 61 0.330 -6.435 -1.666 1.00 0.00 C ATOM 889 CZ3 TRP A 61 0.279 -4.256 -2.700 1.00 0.00 C ATOM 890 CH2 TRP A 61 -0.314 -5.495 -2.420 1.00 0.00 C ATOM 0 H TRP A 61 6.155 -2.043 -0.297 1.00 0.00 H new ATOM 0 HA TRP A 61 5.590 -4.561 0.875 1.00 0.00 H new ATOM 0 HB2 TRP A 61 4.058 -2.902 -0.340 1.00 0.00 H new ATOM 0 HB3 TRP A 61 4.730 -3.515 -1.838 1.00 0.00 H new ATOM 0 HD1 TRP A 61 4.437 -6.441 0.399 1.00 0.00 H new ATOM 0 HE1 TRP A 61 2.284 -7.796 -0.069 1.00 0.00 H new ATOM 0 HE3 TRP A 61 1.984 -2.985 -2.447 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -0.127 -7.390 -1.453 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -0.257 -3.535 -3.300 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -1.299 -5.711 -2.808 1.00 0.00 H new ATOM 900 N LEU A 62 7.381 -4.537 -1.885 1.00 0.00 N ATOM 901 CA LEU A 62 8.247 -5.340 -2.747 1.00 0.00 C ATOM 902 C LEU A 62 9.306 -6.083 -1.941 1.00 0.00 C ATOM 903 O LEU A 62 9.484 -7.290 -2.098 1.00 0.00 O ATOM 904 CB LEU A 62 8.946 -4.449 -3.778 1.00 0.00 C ATOM 905 CG LEU A 62 8.032 -3.766 -4.795 1.00 0.00 C ATOM 906 CD1 LEU A 62 8.820 -2.779 -5.642 1.00 0.00 C ATOM 907 CD2 LEU A 62 7.359 -4.798 -5.681 1.00 0.00 C ATOM 0 H LEU A 62 7.378 -3.542 -2.107 1.00 0.00 H new ATOM 0 HA LEU A 62 7.613 -6.069 -3.252 1.00 0.00 H new ATOM 0 HB2 LEU A 62 9.505 -3.679 -3.246 1.00 0.00 H new ATOM 0 HB3 LEU A 62 9.673 -5.054 -4.320 1.00 0.00 H new ATOM 0 HG LEU A 62 7.262 -3.219 -4.251 1.00 0.00 H new ATOM 0 HD11 LEU A 62 8.153 -2.302 -6.360 1.00 0.00 H new ATOM 0 HD12 LEU A 62 9.262 -2.019 -4.998 1.00 0.00 H new ATOM 0 HD13 LEU A 62 9.610 -3.307 -6.176 1.00 0.00 H new ATOM 0 HD21 LEU A 62 6.712 -4.294 -6.399 1.00 0.00 H new ATOM 0 HD22 LEU A 62 8.118 -5.370 -6.215 1.00 0.00 H new ATOM 0 HD23 LEU A 62 6.763 -5.472 -5.066 1.00 0.00 H new ATOM 918 N ASP A 63 9.999 -5.358 -1.073 1.00 0.00 N ATOM 919 CA ASP A 63 11.135 -5.917 -0.348 1.00 0.00 C ATOM 920 C ASP A 63 10.679 -6.864 0.760 1.00 0.00 C ATOM 921 O ASP A 63 11.375 -7.825 1.097 1.00 0.00 O ATOM 922 CB ASP A 63 11.992 -4.791 0.234 1.00 0.00 C ATOM 923 CG ASP A 63 13.297 -5.297 0.817 1.00 0.00 C ATOM 924 OD1 ASP A 63 14.109 -5.861 0.056 1.00 0.00 O ATOM 925 OD2 ASP A 63 13.516 -5.136 2.035 1.00 0.00 O ATOM 0 H ASP A 63 9.796 -4.383 -0.853 1.00 0.00 H new ATOM 0 HA ASP A 63 11.733 -6.494 -1.053 1.00 0.00 H new ATOM 0 HB2 ASP A 63 12.205 -4.061 -0.546 1.00 0.00 H new ATOM 0 HB3 ASP A 63 11.428 -4.273 1.010 1.00 0.00 H new ATOM 929 N GLU A 64 9.508 -6.596 1.323 1.00 0.00 N ATOM 930 CA GLU A 64 8.975 -7.425 2.397 1.00 0.00 C ATOM 931 C GLU A 64 8.314 -8.691 1.857 1.00 0.00 C ATOM 932 O GLU A 64 8.496 -9.773 2.410 1.00 0.00 O ATOM 933 CB GLU A 64 7.973 -6.635 3.239 1.00 0.00 C ATOM 934 CG GLU A 64 8.613 -5.532 4.067 1.00 0.00 C ATOM 935 CD GLU A 64 9.637 -6.064 5.049 1.00 0.00 C ATOM 936 OE1 GLU A 64 9.236 -6.577 6.117 1.00 0.00 O ATOM 937 OE2 GLU A 64 10.846 -5.980 4.756 1.00 0.00 O ATOM 0 H GLU A 64 8.911 -5.814 1.055 1.00 0.00 H new ATOM 0 HA GLU A 64 9.815 -7.723 3.024 1.00 0.00 H new ATOM 0 HB2 GLU A 64 7.224 -6.196 2.580 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.449 -7.321 3.905 1.00 0.00 H new ATOM 0 HG2 GLU A 64 9.092 -4.814 3.401 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.837 -4.994 4.612 1.00 0.00 H new ATOM 942 N ALA A 65 7.561 -8.556 0.773 1.00 0.00 N ATOM 943 CA ALA A 65 6.812 -9.682 0.222 1.00 0.00 C ATOM 944 C ALA A 65 7.617 -10.450 -0.822 1.00 0.00 C ATOM 945 O ALA A 65 7.049 -11.148 -1.664 1.00 0.00 O ATOM 946 CB ALA A 65 5.500 -9.200 -0.376 1.00 0.00 C ATOM 0 H ALA A 65 7.452 -7.682 0.258 1.00 0.00 H new ATOM 0 HA ALA A 65 6.604 -10.368 1.043 1.00 0.00 H new ATOM 0 HB1 ALA A 65 4.952 -10.050 -0.783 1.00 0.00 H new ATOM 0 HB2 ALA A 65 4.902 -8.720 0.398 1.00 0.00 H new ATOM 0 HB3 ALA A 65 5.704 -8.485 -1.173 1.00 0.00 H new ATOM 952 N GLU A 66 8.932 -10.320 -0.777 1.00 0.00 N ATOM 953 CA GLU A 66 9.787 -11.037 -1.706 1.00 0.00 C ATOM 954 C GLU A 66 10.173 -12.395 -1.125 1.00 0.00 C ATOM 955 O GLU A 66 9.475 -13.392 -1.418 1.00 0.00 O ATOM 956 CB GLU A 66 11.040 -10.220 -2.030 1.00 0.00 C ATOM 957 CG GLU A 66 11.820 -10.754 -3.220 1.00 0.00 C ATOM 958 CD GLU A 66 11.082 -10.581 -4.533 1.00 0.00 C ATOM 959 OE1 GLU A 66 10.048 -11.251 -4.739 1.00 0.00 O ATOM 960 OE2 GLU A 66 11.538 -9.772 -5.374 1.00 0.00 O ATOM 961 OXT GLU A 66 11.151 -12.460 -0.358 1.00 0.00 O ATOM 0 H GLU A 66 9.428 -9.728 -0.111 1.00 0.00 H new ATOM 0 HA GLU A 66 9.234 -11.195 -2.632 1.00 0.00 H new ATOM 0 HB2 GLU A 66 10.750 -9.188 -2.229 1.00 0.00 H new ATOM 0 HB3 GLU A 66 11.691 -10.205 -1.156 1.00 0.00 H new ATOM 0 HG2 GLU A 66 12.780 -10.242 -3.278 1.00 0.00 H new ATOM 0 HG3 GLU A 66 12.032 -11.812 -3.064 1.00 0.00 H new TER 966 GLU A 66