USER MOD reduce.3.24.130724 H: found=0, std=0, add=542, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 544 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 63 CYS SG : rot 37:sc= 0.879 USER MOD Set 1.2: A 70 MET CE :methyl -141:sc= -2.51! (180deg=-2.77!) USER MOD Single : A 4 MET CE :methyl -159:sc= -0.256 (180deg=-0.911) USER MOD Single : A 9 LYS NZ :NH3+ 162:sc=-0.00578 (180deg=-0.111) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0151 USER MOD Single : A 18 LYS NZ :NH3+ 176:sc= -0.114 (180deg=-0.136) USER MOD Single : A 20 SER OG : rot 180:sc= -1.02 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 90:sc= -1.47 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 73:sc= -1.23! USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 61:sc= -0.307 USER MOD Single : A 40 GLN : amide:sc= -0.0498 K(o=-0.05,f=-1.5) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl -147:sc= -0.0143 (180deg=-1.8!) USER MOD Single : A 48 THR OG1 : rot 103:sc= 1.3 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot -58:sc= 0.0295 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 ASN : amide:sc= -0.0927 X(o=-0.093,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 23 N ASP A 3 7.505 -1.162 -3.416 1.00 0.00 N ATOM 24 CA ASP A 3 8.174 -1.144 -4.712 1.00 0.00 C ATOM 25 C ASP A 3 8.937 -2.443 -4.948 1.00 0.00 C ATOM 26 O ASP A 3 8.875 -3.023 -6.031 1.00 0.00 O ATOM 27 CB ASP A 3 9.131 0.047 -4.798 1.00 0.00 C ATOM 28 CG ASP A 3 8.545 1.306 -4.189 1.00 0.00 C ATOM 29 OD1 ASP A 3 7.451 1.722 -4.626 1.00 0.00 O ATOM 30 OD2 ASP A 3 9.180 1.875 -3.277 1.00 0.00 O ATOM 0 HA ASP A 3 7.412 -1.046 -5.486 1.00 0.00 H new ATOM 0 HB2 ASP A 3 10.062 -0.201 -4.287 1.00 0.00 H new ATOM 0 HB3 ASP A 3 9.380 0.234 -5.842 1.00 0.00 H new ATOM 35 N MET A 4 9.659 -2.894 -3.926 1.00 0.00 N ATOM 36 CA MET A 4 10.434 -4.125 -4.023 1.00 0.00 C ATOM 37 C MET A 4 9.979 -5.138 -2.977 1.00 0.00 C ATOM 38 O MET A 4 10.066 -6.346 -3.192 1.00 0.00 O ATOM 39 CB MET A 4 11.925 -3.829 -3.850 1.00 0.00 C ATOM 40 CG MET A 4 12.264 -3.173 -2.522 1.00 0.00 C ATOM 41 SD MET A 4 12.181 -1.373 -2.595 1.00 0.00 S ATOM 42 CE MET A 4 13.524 -1.018 -3.725 1.00 0.00 C ATOM 0 H MET A 4 9.723 -2.425 -3.022 1.00 0.00 H new ATOM 0 HA MET A 4 10.269 -4.552 -5.012 1.00 0.00 H new ATOM 0 HB2 MET A 4 12.485 -4.760 -3.939 1.00 0.00 H new ATOM 0 HB3 MET A 4 12.255 -3.180 -4.661 1.00 0.00 H new ATOM 0 HG2 MET A 4 11.576 -3.534 -1.757 1.00 0.00 H new ATOM 0 HG3 MET A 4 13.266 -3.475 -2.218 1.00 0.00 H new ATOM 0 HE1 MET A 4 13.847 0.015 -3.594 1.00 0.00 H new ATOM 0 HE2 MET A 4 14.359 -1.688 -3.520 1.00 0.00 H new ATOM 0 HE3 MET A 4 13.185 -1.164 -4.751 1.00 0.00 H new ATOM 52 N GLU A 5 9.496 -4.636 -1.845 1.00 0.00 N ATOM 53 CA GLU A 5 9.030 -5.498 -0.765 1.00 0.00 C ATOM 54 C GLU A 5 7.921 -6.427 -1.251 1.00 0.00 C ATOM 55 O GLU A 5 7.830 -7.578 -0.826 1.00 0.00 O ATOM 56 CB GLU A 5 8.527 -4.656 0.409 1.00 0.00 C ATOM 57 CG GLU A 5 9.630 -3.905 1.136 1.00 0.00 C ATOM 58 CD GLU A 5 9.100 -2.764 1.982 1.00 0.00 C ATOM 59 OE1 GLU A 5 8.695 -3.017 3.135 1.00 0.00 O ATOM 60 OE2 GLU A 5 9.090 -1.616 1.489 1.00 0.00 O ATOM 0 H GLU A 5 9.417 -3.638 -1.652 1.00 0.00 H new ATOM 0 HA GLU A 5 9.871 -6.107 -0.432 1.00 0.00 H new ATOM 0 HB2 GLU A 5 7.792 -3.940 0.043 1.00 0.00 H new ATOM 0 HB3 GLU A 5 8.013 -5.306 1.118 1.00 0.00 H new ATOM 0 HG2 GLU A 5 10.179 -4.599 1.772 1.00 0.00 H new ATOM 0 HG3 GLU A 5 10.339 -3.513 0.407 1.00 0.00 H new ATOM 67 N ARG A 6 7.079 -5.917 -2.144 1.00 0.00 N ATOM 68 CA ARG A 6 5.975 -6.699 -2.687 1.00 0.00 C ATOM 69 C ARG A 6 6.492 -7.814 -3.591 1.00 0.00 C ATOM 70 O ARG A 6 5.804 -8.810 -3.819 1.00 0.00 O ATOM 71 CB ARG A 6 5.019 -5.796 -3.469 1.00 0.00 C ATOM 72 CG ARG A 6 3.753 -6.502 -3.928 1.00 0.00 C ATOM 73 CD ARG A 6 2.802 -6.748 -2.767 1.00 0.00 C ATOM 74 NE ARG A 6 1.447 -7.048 -3.224 1.00 0.00 N ATOM 75 CZ ARG A 6 0.387 -7.058 -2.424 1.00 0.00 C ATOM 76 NH1 ARG A 6 0.524 -6.785 -1.134 1.00 0.00 N ATOM 77 NH2 ARG A 6 -0.813 -7.340 -2.915 1.00 0.00 N ATOM 0 H ARG A 6 7.140 -4.966 -2.507 1.00 0.00 H new ATOM 0 HA ARG A 6 5.437 -7.150 -1.853 1.00 0.00 H new ATOM 0 HB2 ARG A 6 4.745 -4.945 -2.845 1.00 0.00 H new ATOM 0 HB3 ARG A 6 5.539 -5.398 -4.340 1.00 0.00 H new ATOM 0 HG2 ARG A 6 3.254 -5.900 -4.688 1.00 0.00 H new ATOM 0 HG3 ARG A 6 4.013 -7.452 -4.395 1.00 0.00 H new ATOM 0 HD2 ARG A 6 3.173 -7.577 -2.164 1.00 0.00 H new ATOM 0 HD3 ARG A 6 2.781 -5.869 -2.123 1.00 0.00 H new ATOM 0 HE ARG A 6 1.308 -7.261 -4.212 1.00 0.00 H new ATOM 0 HH11 ARG A 6 1.445 -6.567 -0.754 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -0.292 -6.793 -0.522 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -0.922 -7.549 -3.907 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -1.627 -7.348 -2.300 1.00 0.00 H new ATOM 91 N ILE A 7 7.706 -7.640 -4.102 1.00 0.00 N ATOM 92 CA ILE A 7 8.314 -8.632 -4.980 1.00 0.00 C ATOM 93 C ILE A 7 9.156 -9.626 -4.186 1.00 0.00 C ATOM 94 O ILE A 7 9.028 -10.839 -4.356 1.00 0.00 O ATOM 95 CB ILE A 7 9.199 -7.969 -6.052 1.00 0.00 C ATOM 96 CG1 ILE A 7 8.624 -6.607 -6.447 1.00 0.00 C ATOM 97 CG2 ILE A 7 9.321 -8.872 -7.270 1.00 0.00 C ATOM 98 CD1 ILE A 7 9.374 -5.940 -7.579 1.00 0.00 C ATOM 0 H ILE A 7 8.288 -6.822 -3.923 1.00 0.00 H new ATOM 0 HA ILE A 7 7.497 -9.161 -5.471 1.00 0.00 H new ATOM 0 HB ILE A 7 10.195 -7.816 -5.637 1.00 0.00 H new ATOM 0 HG12 ILE A 7 7.581 -6.732 -6.737 1.00 0.00 H new ATOM 0 HG13 ILE A 7 8.636 -5.950 -5.577 1.00 0.00 H new ATOM 0 HG21 ILE A 7 9.949 -8.390 -8.019 1.00 0.00 H new ATOM 0 HG22 ILE A 7 9.770 -9.821 -6.976 1.00 0.00 H new ATOM 0 HG23 ILE A 7 8.331 -9.053 -7.689 1.00 0.00 H new ATOM 0 HD11 ILE A 7 8.911 -4.979 -7.806 1.00 0.00 H new ATOM 0 HD12 ILE A 7 10.412 -5.783 -7.285 1.00 0.00 H new ATOM 0 HD13 ILE A 7 9.340 -6.577 -8.463 1.00 0.00 H new ATOM 110 N PHE A 8 10.015 -9.104 -3.318 1.00 0.00 N ATOM 111 CA PHE A 8 10.878 -9.945 -2.496 1.00 0.00 C ATOM 112 C PHE A 8 10.064 -11.008 -1.763 1.00 0.00 C ATOM 113 O PHE A 8 10.314 -12.205 -1.903 1.00 0.00 O ATOM 114 CB PHE A 8 11.648 -9.091 -1.487 1.00 0.00 C ATOM 115 CG PHE A 8 12.245 -9.885 -0.361 1.00 0.00 C ATOM 116 CD1 PHE A 8 13.387 -10.644 -0.560 1.00 0.00 C ATOM 117 CD2 PHE A 8 11.663 -9.874 0.897 1.00 0.00 C ATOM 118 CE1 PHE A 8 13.939 -11.376 0.475 1.00 0.00 C ATOM 119 CE2 PHE A 8 12.211 -10.604 1.935 1.00 0.00 C ATOM 120 CZ PHE A 8 13.349 -11.356 1.723 1.00 0.00 C ATOM 0 H PHE A 8 10.133 -8.102 -3.165 1.00 0.00 H new ATOM 0 HA PHE A 8 11.588 -10.446 -3.154 1.00 0.00 H new ATOM 0 HB2 PHE A 8 12.444 -8.558 -2.007 1.00 0.00 H new ATOM 0 HB3 PHE A 8 10.977 -8.338 -1.074 1.00 0.00 H new ATOM 0 HD1 PHE A 8 13.851 -10.664 -1.535 1.00 0.00 H new ATOM 0 HD2 PHE A 8 10.772 -9.289 1.068 1.00 0.00 H new ATOM 0 HE1 PHE A 8 14.830 -11.962 0.307 1.00 0.00 H new ATOM 0 HE2 PHE A 8 11.749 -10.586 2.911 1.00 0.00 H new ATOM 0 HZ PHE A 8 13.777 -11.928 2.533 1.00 0.00 H new ATOM 130 N LYS A 9 9.087 -10.561 -0.981 1.00 0.00 N ATOM 131 CA LYS A 9 8.234 -11.471 -0.225 1.00 0.00 C ATOM 132 C LYS A 9 7.564 -12.482 -1.150 1.00 0.00 C ATOM 133 O LYS A 9 7.224 -13.589 -0.732 1.00 0.00 O ATOM 134 CB LYS A 9 7.171 -10.684 0.544 1.00 0.00 C ATOM 135 CG LYS A 9 7.623 -10.239 1.924 1.00 0.00 C ATOM 136 CD LYS A 9 7.073 -11.147 3.011 1.00 0.00 C ATOM 137 CE LYS A 9 6.807 -10.378 4.297 1.00 0.00 C ATOM 138 NZ LYS A 9 5.616 -9.493 4.177 1.00 0.00 N ATOM 0 H LYS A 9 8.866 -9.573 -0.854 1.00 0.00 H new ATOM 0 HA LYS A 9 8.860 -12.013 0.484 1.00 0.00 H new ATOM 0 HB2 LYS A 9 6.890 -9.806 -0.037 1.00 0.00 H new ATOM 0 HB3 LYS A 9 6.277 -11.300 0.645 1.00 0.00 H new ATOM 0 HG2 LYS A 9 8.712 -10.236 1.968 1.00 0.00 H new ATOM 0 HG3 LYS A 9 7.294 -9.215 2.103 1.00 0.00 H new ATOM 0 HD2 LYS A 9 6.149 -11.612 2.666 1.00 0.00 H new ATOM 0 HD3 LYS A 9 7.781 -11.952 3.207 1.00 0.00 H new ATOM 0 HE2 LYS A 9 6.656 -11.081 5.116 1.00 0.00 H new ATOM 0 HE3 LYS A 9 7.681 -9.778 4.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 5.284 -9.227 5.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 5.872 -8.636 3.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 4.858 -9.997 3.674 1.00 0.00 H new ATOM 152 N ARG A 10 7.379 -12.095 -2.408 1.00 0.00 N ATOM 153 CA ARG A 10 6.750 -12.968 -3.391 1.00 0.00 C ATOM 154 C ARG A 10 7.695 -14.094 -3.802 1.00 0.00 C ATOM 155 O ARG A 10 7.300 -15.258 -3.868 1.00 0.00 O ATOM 156 CB ARG A 10 6.330 -12.165 -4.623 1.00 0.00 C ATOM 157 CG ARG A 10 4.825 -12.102 -4.825 1.00 0.00 C ATOM 158 CD ARG A 10 4.122 -11.531 -3.603 1.00 0.00 C ATOM 159 NE ARG A 10 3.173 -12.478 -3.025 1.00 0.00 N ATOM 160 CZ ARG A 10 2.029 -12.819 -3.608 1.00 0.00 C ATOM 161 NH1 ARG A 10 1.694 -12.294 -4.778 1.00 0.00 N ATOM 162 NH2 ARG A 10 1.216 -13.688 -3.019 1.00 0.00 N ATOM 0 H ARG A 10 7.656 -11.183 -2.770 1.00 0.00 H new ATOM 0 HA ARG A 10 5.864 -13.409 -2.934 1.00 0.00 H new ATOM 0 HB2 ARG A 10 6.719 -11.151 -4.535 1.00 0.00 H new ATOM 0 HB3 ARG A 10 6.789 -12.607 -5.508 1.00 0.00 H new ATOM 0 HG2 ARG A 10 4.599 -11.487 -5.696 1.00 0.00 H new ATOM 0 HG3 ARG A 10 4.442 -13.101 -5.032 1.00 0.00 H new ATOM 0 HD2 ARG A 10 4.864 -11.258 -2.853 1.00 0.00 H new ATOM 0 HD3 ARG A 10 3.598 -10.617 -3.881 1.00 0.00 H new ATOM 0 HE ARG A 10 3.401 -12.901 -2.125 1.00 0.00 H new ATOM 0 HH11 ARG A 10 2.315 -11.626 -5.234 1.00 0.00 H new ATOM 0 HH12 ARG A 10 0.815 -12.558 -5.223 1.00 0.00 H new ATOM 0 HH21 ARG A 10 1.470 -14.094 -2.118 1.00 0.00 H new ATOM 0 HH22 ARG A 10 0.338 -13.949 -3.467 1.00 0.00 H new ATOM 176 N PHE A 11 8.945 -13.738 -4.078 1.00 0.00 N ATOM 177 CA PHE A 11 9.947 -14.717 -4.485 1.00 0.00 C ATOM 178 C PHE A 11 10.483 -15.480 -3.277 1.00 0.00 C ATOM 179 O PHE A 11 11.021 -16.579 -3.412 1.00 0.00 O ATOM 180 CB PHE A 11 11.098 -14.026 -5.218 1.00 0.00 C ATOM 181 CG PHE A 11 10.745 -13.588 -6.611 1.00 0.00 C ATOM 182 CD1 PHE A 11 10.355 -14.515 -7.564 1.00 0.00 C ATOM 183 CD2 PHE A 11 10.803 -12.251 -6.966 1.00 0.00 C ATOM 184 CE1 PHE A 11 10.030 -14.114 -8.847 1.00 0.00 C ATOM 185 CE2 PHE A 11 10.479 -11.844 -8.247 1.00 0.00 C ATOM 186 CZ PHE A 11 10.091 -12.777 -9.188 1.00 0.00 C ATOM 0 H PHE A 11 9.289 -12.779 -4.027 1.00 0.00 H new ATOM 0 HA PHE A 11 9.471 -15.428 -5.160 1.00 0.00 H new ATOM 0 HB2 PHE A 11 11.415 -13.157 -4.642 1.00 0.00 H new ATOM 0 HB3 PHE A 11 11.949 -14.706 -5.264 1.00 0.00 H new ATOM 0 HD1 PHE A 11 10.304 -15.562 -7.302 1.00 0.00 H new ATOM 0 HD2 PHE A 11 11.105 -11.517 -6.233 1.00 0.00 H new ATOM 0 HE1 PHE A 11 9.729 -14.846 -9.582 1.00 0.00 H new ATOM 0 HE2 PHE A 11 10.529 -10.798 -8.511 1.00 0.00 H new ATOM 0 HZ PHE A 11 9.836 -12.462 -10.189 1.00 0.00 H new ATOM 196 N ASP A 12 10.333 -14.888 -2.097 1.00 0.00 N ATOM 197 CA ASP A 12 10.801 -15.511 -0.864 1.00 0.00 C ATOM 198 C ASP A 12 9.809 -16.560 -0.375 1.00 0.00 C ATOM 199 O ASP A 12 9.313 -16.485 0.750 1.00 0.00 O ATOM 200 CB ASP A 12 11.017 -14.451 0.217 1.00 0.00 C ATOM 201 CG ASP A 12 11.730 -15.004 1.436 1.00 0.00 C ATOM 202 OD1 ASP A 12 11.966 -16.229 1.479 1.00 0.00 O ATOM 203 OD2 ASP A 12 12.051 -14.212 2.346 1.00 0.00 O ATOM 0 H ASP A 12 9.891 -13.978 -1.968 1.00 0.00 H new ATOM 0 HA ASP A 12 11.750 -16.005 -1.072 1.00 0.00 H new ATOM 0 HB2 ASP A 12 11.598 -13.627 -0.197 1.00 0.00 H new ATOM 0 HB3 ASP A 12 10.053 -14.042 0.518 1.00 0.00 H new ATOM 208 N THR A 13 9.522 -17.540 -1.227 1.00 0.00 N ATOM 209 CA THR A 13 8.587 -18.603 -0.883 1.00 0.00 C ATOM 210 C THR A 13 9.325 -19.855 -0.420 1.00 0.00 C ATOM 211 O THR A 13 8.866 -20.974 -0.642 1.00 0.00 O ATOM 212 CB THR A 13 7.684 -18.965 -2.076 1.00 0.00 C ATOM 213 OG1 THR A 13 8.445 -18.951 -3.289 1.00 0.00 O ATOM 214 CG2 THR A 13 6.521 -17.991 -2.190 1.00 0.00 C ATOM 0 H THR A 13 9.925 -17.619 -2.161 1.00 0.00 H new ATOM 0 HA THR A 13 7.967 -18.228 -0.069 1.00 0.00 H new ATOM 0 HB THR A 13 7.284 -19.965 -1.910 1.00 0.00 H new ATOM 0 HG1 THR A 13 7.864 -19.184 -4.043 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.897 -18.267 -3.040 1.00 0.00 H new ATOM 0 HG22 THR A 13 5.926 -18.026 -1.277 1.00 0.00 H new ATOM 0 HG23 THR A 13 6.905 -16.981 -2.335 1.00 0.00 H new ATOM 255 N GLY A 17 14.782 -16.895 3.697 1.00 0.00 N ATOM 256 CA GLY A 17 16.213 -16.972 3.473 1.00 0.00 C ATOM 257 C GLY A 17 16.652 -16.189 2.251 1.00 0.00 C ATOM 258 O GLY A 17 17.088 -15.043 2.362 1.00 0.00 O ATOM 0 HA2 GLY A 17 16.736 -16.593 4.351 1.00 0.00 H new ATOM 0 HA3 GLY A 17 16.504 -18.016 3.355 1.00 0.00 H new ATOM 262 N LYS A 18 16.537 -16.808 1.081 1.00 0.00 N ATOM 263 CA LYS A 18 16.925 -16.163 -0.168 1.00 0.00 C ATOM 264 C LYS A 18 15.883 -16.410 -1.254 1.00 0.00 C ATOM 265 O LYS A 18 14.905 -17.128 -1.038 1.00 0.00 O ATOM 266 CB LYS A 18 18.290 -16.678 -0.629 1.00 0.00 C ATOM 267 CG LYS A 18 19.340 -16.684 0.467 1.00 0.00 C ATOM 268 CD LYS A 18 20.584 -17.447 0.044 1.00 0.00 C ATOM 269 CE LYS A 18 21.834 -16.887 0.706 1.00 0.00 C ATOM 270 NZ LYS A 18 21.685 -16.797 2.186 1.00 0.00 N ATOM 0 H LYS A 18 16.178 -17.756 0.972 1.00 0.00 H new ATOM 0 HA LYS A 18 16.990 -15.090 0.011 1.00 0.00 H new ATOM 0 HB2 LYS A 18 18.175 -17.691 -1.016 1.00 0.00 H new ATOM 0 HB3 LYS A 18 18.642 -16.060 -1.455 1.00 0.00 H new ATOM 0 HG2 LYS A 18 19.609 -15.658 0.719 1.00 0.00 H new ATOM 0 HG3 LYS A 18 18.924 -17.135 1.368 1.00 0.00 H new ATOM 0 HD2 LYS A 18 20.473 -18.499 0.305 1.00 0.00 H new ATOM 0 HD3 LYS A 18 20.692 -17.397 -1.040 1.00 0.00 H new ATOM 0 HE2 LYS A 18 22.688 -17.520 0.465 1.00 0.00 H new ATOM 0 HE3 LYS A 18 22.047 -15.897 0.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 22.580 -16.475 2.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 20.930 -16.120 2.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 21.440 -17.733 2.568 1.00 0.00 H new ATOM 284 N ILE A 19 16.098 -15.813 -2.421 1.00 0.00 N ATOM 285 CA ILE A 19 15.179 -15.972 -3.541 1.00 0.00 C ATOM 286 C ILE A 19 15.914 -16.429 -4.796 1.00 0.00 C ATOM 287 O ILE A 19 17.070 -16.068 -5.017 1.00 0.00 O ATOM 288 CB ILE A 19 14.433 -14.659 -3.847 1.00 0.00 C ATOM 289 CG1 ILE A 19 15.430 -13.525 -4.089 1.00 0.00 C ATOM 290 CG2 ILE A 19 13.490 -14.308 -2.705 1.00 0.00 C ATOM 291 CD1 ILE A 19 14.773 -12.189 -4.358 1.00 0.00 C ATOM 0 H ILE A 19 16.901 -15.215 -2.616 1.00 0.00 H new ATOM 0 HA ILE A 19 14.456 -16.733 -3.249 1.00 0.00 H new ATOM 0 HB ILE A 19 13.842 -14.796 -4.752 1.00 0.00 H new ATOM 0 HG12 ILE A 19 16.080 -13.432 -3.219 1.00 0.00 H new ATOM 0 HG13 ILE A 19 16.065 -13.785 -4.936 1.00 0.00 H new ATOM 0 HG21 ILE A 19 12.970 -13.378 -2.935 1.00 0.00 H new ATOM 0 HG22 ILE A 19 12.762 -15.109 -2.575 1.00 0.00 H new ATOM 0 HG23 ILE A 19 14.062 -14.186 -1.785 1.00 0.00 H new ATOM 0 HD11 ILE A 19 15.540 -11.432 -4.520 1.00 0.00 H new ATOM 0 HD12 ILE A 19 14.145 -12.265 -5.245 1.00 0.00 H new ATOM 0 HD13 ILE A 19 14.160 -11.906 -3.502 1.00 0.00 H new ATOM 303 N SER A 20 15.235 -17.224 -5.617 1.00 0.00 N ATOM 304 CA SER A 20 15.825 -17.733 -6.850 1.00 0.00 C ATOM 305 C SER A 20 16.285 -16.587 -7.745 1.00 0.00 C ATOM 306 O SER A 20 15.469 -15.825 -8.267 1.00 0.00 O ATOM 307 CB SER A 20 14.818 -18.608 -7.598 1.00 0.00 C ATOM 308 OG SER A 20 13.521 -18.038 -7.561 1.00 0.00 O ATOM 0 H SER A 20 14.276 -17.530 -5.451 1.00 0.00 H new ATOM 0 HA SER A 20 16.694 -18.336 -6.587 1.00 0.00 H new ATOM 0 HB2 SER A 20 15.136 -18.730 -8.634 1.00 0.00 H new ATOM 0 HB3 SER A 20 14.794 -19.603 -7.153 1.00 0.00 H new ATOM 0 HG SER A 20 12.896 -18.615 -8.047 1.00 0.00 H new ATOM 314 N LEU A 21 17.597 -16.470 -7.919 1.00 0.00 N ATOM 315 CA LEU A 21 18.167 -15.417 -8.752 1.00 0.00 C ATOM 316 C LEU A 21 17.856 -15.659 -10.226 1.00 0.00 C ATOM 317 O LEU A 21 17.094 -14.914 -10.840 1.00 0.00 O ATOM 318 CB LEU A 21 19.681 -15.340 -8.545 1.00 0.00 C ATOM 319 CG LEU A 21 20.371 -14.091 -9.094 1.00 0.00 C ATOM 320 CD1 LEU A 21 21.850 -14.356 -9.325 1.00 0.00 C ATOM 321 CD2 LEU A 21 19.702 -13.635 -10.383 1.00 0.00 C ATOM 0 H LEU A 21 18.286 -17.091 -7.494 1.00 0.00 H new ATOM 0 HA LEU A 21 17.716 -14.470 -8.456 1.00 0.00 H new ATOM 0 HB2 LEU A 21 19.885 -15.403 -7.476 1.00 0.00 H new ATOM 0 HB3 LEU A 21 20.136 -16.215 -9.009 1.00 0.00 H new ATOM 0 HG LEU A 21 20.276 -13.294 -8.357 1.00 0.00 H new ATOM 0 HD11 LEU A 21 22.324 -13.456 -9.716 1.00 0.00 H new ATOM 0 HD12 LEU A 21 22.321 -14.634 -8.382 1.00 0.00 H new ATOM 0 HD13 LEU A 21 21.966 -15.168 -10.043 1.00 0.00 H new ATOM 0 HD21 LEU A 21 20.206 -12.745 -10.759 1.00 0.00 H new ATOM 0 HD22 LEU A 21 19.765 -14.430 -11.126 1.00 0.00 H new ATOM 0 HD23 LEU A 21 18.655 -13.403 -10.187 1.00 0.00 H new ATOM 333 N SER A 22 18.450 -16.708 -10.786 1.00 0.00 N ATOM 334 CA SER A 22 18.238 -17.048 -12.188 1.00 0.00 C ATOM 335 C SER A 22 16.750 -17.053 -12.527 1.00 0.00 C ATOM 336 O SER A 22 16.368 -16.936 -13.690 1.00 0.00 O ATOM 337 CB SER A 22 18.848 -18.416 -12.501 1.00 0.00 C ATOM 338 OG SER A 22 18.430 -19.388 -11.559 1.00 0.00 O ATOM 0 H SER A 22 19.082 -17.337 -10.290 1.00 0.00 H new ATOM 0 HA SER A 22 18.730 -16.290 -12.798 1.00 0.00 H new ATOM 0 HB2 SER A 22 18.555 -18.727 -13.504 1.00 0.00 H new ATOM 0 HB3 SER A 22 19.936 -18.343 -12.495 1.00 0.00 H new ATOM 0 HG SER A 22 18.832 -20.254 -11.782 1.00 0.00 H new ATOM 344 N GLU A 23 15.917 -17.190 -11.500 1.00 0.00 N ATOM 345 CA GLU A 23 14.471 -17.211 -11.689 1.00 0.00 C ATOM 346 C GLU A 23 13.888 -15.804 -11.585 1.00 0.00 C ATOM 347 O GLU A 23 12.878 -15.490 -12.215 1.00 0.00 O ATOM 348 CB GLU A 23 13.812 -18.125 -10.654 1.00 0.00 C ATOM 349 CG GLU A 23 12.453 -18.650 -11.083 1.00 0.00 C ATOM 350 CD GLU A 23 12.551 -19.915 -11.913 1.00 0.00 C ATOM 351 OE1 GLU A 23 13.687 -20.346 -12.203 1.00 0.00 O ATOM 352 OE2 GLU A 23 11.494 -20.473 -12.273 1.00 0.00 O ATOM 0 H GLU A 23 16.218 -17.288 -10.530 1.00 0.00 H new ATOM 0 HA GLU A 23 14.267 -17.598 -12.687 1.00 0.00 H new ATOM 0 HB2 GLU A 23 14.472 -18.969 -10.455 1.00 0.00 H new ATOM 0 HB3 GLU A 23 13.702 -17.579 -9.717 1.00 0.00 H new ATOM 0 HG2 GLU A 23 11.848 -18.847 -10.198 1.00 0.00 H new ATOM 0 HG3 GLU A 23 11.936 -17.882 -11.658 1.00 0.00 H new ATOM 359 N LEU A 24 14.531 -14.961 -10.784 1.00 0.00 N ATOM 360 CA LEU A 24 14.078 -13.588 -10.596 1.00 0.00 C ATOM 361 C LEU A 24 14.307 -12.761 -11.857 1.00 0.00 C ATOM 362 O LEU A 24 13.380 -12.148 -12.389 1.00 0.00 O ATOM 363 CB LEU A 24 14.806 -12.947 -9.413 1.00 0.00 C ATOM 364 CG LEU A 24 14.317 -11.559 -8.996 1.00 0.00 C ATOM 365 CD1 LEU A 24 14.576 -11.325 -7.516 1.00 0.00 C ATOM 366 CD2 LEU A 24 14.990 -10.483 -9.835 1.00 0.00 C ATOM 0 H LEU A 24 15.368 -15.205 -10.254 1.00 0.00 H new ATOM 0 HA LEU A 24 13.008 -13.610 -10.388 1.00 0.00 H new ATOM 0 HB2 LEU A 24 14.720 -13.614 -8.555 1.00 0.00 H new ATOM 0 HB3 LEU A 24 15.866 -12.878 -9.658 1.00 0.00 H new ATOM 0 HG LEU A 24 13.242 -11.506 -9.168 1.00 0.00 H new ATOM 0 HD11 LEU A 24 14.222 -10.333 -7.237 1.00 0.00 H new ATOM 0 HD12 LEU A 24 14.047 -12.077 -6.931 1.00 0.00 H new ATOM 0 HD13 LEU A 24 15.645 -11.397 -7.318 1.00 0.00 H new ATOM 0 HD21 LEU A 24 14.630 -9.502 -9.525 1.00 0.00 H new ATOM 0 HD22 LEU A 24 16.070 -10.535 -9.695 1.00 0.00 H new ATOM 0 HD23 LEU A 24 14.753 -10.640 -10.887 1.00 0.00 H new ATOM 378 N THR A 25 15.548 -12.749 -12.334 1.00 0.00 N ATOM 379 CA THR A 25 15.899 -11.999 -13.533 1.00 0.00 C ATOM 380 C THR A 25 14.986 -12.366 -14.698 1.00 0.00 C ATOM 381 O THR A 25 14.785 -11.570 -15.615 1.00 0.00 O ATOM 382 CB THR A 25 17.362 -12.250 -13.944 1.00 0.00 C ATOM 383 OG1 THR A 25 17.703 -11.429 -15.067 1.00 0.00 O ATOM 384 CG2 THR A 25 17.584 -13.714 -14.293 1.00 0.00 C ATOM 0 H THR A 25 16.327 -13.251 -11.908 1.00 0.00 H new ATOM 0 HA THR A 25 15.772 -10.943 -13.294 1.00 0.00 H new ATOM 0 HB THR A 25 18.002 -11.994 -13.100 1.00 0.00 H new ATOM 0 HG1 THR A 25 18.055 -10.571 -14.750 1.00 0.00 H new ATOM 0 HG21 THR A 25 18.625 -13.866 -14.580 1.00 0.00 H new ATOM 0 HG22 THR A 25 17.352 -14.334 -13.427 1.00 0.00 H new ATOM 0 HG23 THR A 25 16.934 -13.993 -15.123 1.00 0.00 H new ATOM 392 N ASP A 26 14.437 -13.574 -14.655 1.00 0.00 N ATOM 393 CA ASP A 26 13.543 -14.046 -15.706 1.00 0.00 C ATOM 394 C ASP A 26 12.084 -13.855 -15.305 1.00 0.00 C ATOM 395 O ASP A 26 11.194 -13.830 -16.156 1.00 0.00 O ATOM 396 CB ASP A 26 13.812 -15.520 -16.011 1.00 0.00 C ATOM 397 CG ASP A 26 13.357 -15.916 -17.402 1.00 0.00 C ATOM 398 OD1 ASP A 26 12.454 -15.246 -17.944 1.00 0.00 O ATOM 399 OD2 ASP A 26 13.904 -16.898 -17.948 1.00 0.00 O ATOM 0 H ASP A 26 14.595 -14.245 -13.903 1.00 0.00 H new ATOM 0 HA ASP A 26 13.735 -13.457 -16.603 1.00 0.00 H new ATOM 0 HB2 ASP A 26 14.879 -15.720 -15.910 1.00 0.00 H new ATOM 0 HB3 ASP A 26 13.300 -16.140 -15.274 1.00 0.00 H new ATOM 404 N ALA A 27 11.845 -13.722 -14.005 1.00 0.00 N ATOM 405 CA ALA A 27 10.494 -13.532 -13.491 1.00 0.00 C ATOM 406 C ALA A 27 10.171 -12.051 -13.329 1.00 0.00 C ATOM 407 O ALA A 27 9.242 -11.683 -12.609 1.00 0.00 O ATOM 408 CB ALA A 27 10.327 -14.259 -12.165 1.00 0.00 C ATOM 0 H ALA A 27 12.570 -13.742 -13.288 1.00 0.00 H new ATOM 0 HA ALA A 27 9.795 -13.952 -14.214 1.00 0.00 H new ATOM 0 HB1 ALA A 27 9.314 -14.109 -11.793 1.00 0.00 H new ATOM 0 HB2 ALA A 27 10.506 -15.324 -12.309 1.00 0.00 H new ATOM 0 HB3 ALA A 27 11.041 -13.866 -11.442 1.00 0.00 H new ATOM 414 N LEU A 28 10.944 -11.205 -14.001 1.00 0.00 N ATOM 415 CA LEU A 28 10.740 -9.762 -13.931 1.00 0.00 C ATOM 416 C LEU A 28 9.977 -9.259 -15.152 1.00 0.00 C ATOM 417 O LEU A 28 8.903 -8.670 -15.026 1.00 0.00 O ATOM 418 CB LEU A 28 12.086 -9.042 -13.825 1.00 0.00 C ATOM 419 CG LEU A 28 12.641 -8.863 -12.411 1.00 0.00 C ATOM 420 CD1 LEU A 28 14.160 -8.944 -12.420 1.00 0.00 C ATOM 421 CD2 LEU A 28 12.180 -7.539 -11.821 1.00 0.00 C ATOM 0 H LEU A 28 11.717 -11.493 -14.600 1.00 0.00 H new ATOM 0 HA LEU A 28 10.148 -9.547 -13.042 1.00 0.00 H new ATOM 0 HB2 LEU A 28 12.818 -9.594 -14.414 1.00 0.00 H new ATOM 0 HB3 LEU A 28 11.986 -8.058 -14.282 1.00 0.00 H new ATOM 0 HG LEU A 28 12.258 -9.670 -11.786 1.00 0.00 H new ATOM 0 HD11 LEU A 28 14.537 -8.814 -11.406 1.00 0.00 H new ATOM 0 HD12 LEU A 28 14.470 -9.917 -12.801 1.00 0.00 H new ATOM 0 HD13 LEU A 28 14.562 -8.159 -13.060 1.00 0.00 H new ATOM 0 HD21 LEU A 28 12.584 -7.429 -10.815 1.00 0.00 H new ATOM 0 HD22 LEU A 28 12.534 -6.719 -12.446 1.00 0.00 H new ATOM 0 HD23 LEU A 28 11.091 -7.519 -11.779 1.00 0.00 H new ATOM 433 N ARG A 29 10.537 -9.498 -16.333 1.00 0.00 N ATOM 434 CA ARG A 29 9.909 -9.071 -17.578 1.00 0.00 C ATOM 435 C ARG A 29 8.458 -9.538 -17.642 1.00 0.00 C ATOM 436 O ARG A 29 7.599 -8.858 -18.205 1.00 0.00 O ATOM 437 CB ARG A 29 10.685 -9.614 -18.779 1.00 0.00 C ATOM 438 CG ARG A 29 10.346 -8.920 -20.088 1.00 0.00 C ATOM 439 CD ARG A 29 11.351 -9.262 -21.176 1.00 0.00 C ATOM 440 NE ARG A 29 11.003 -8.649 -22.455 1.00 0.00 N ATOM 441 CZ ARG A 29 11.144 -7.353 -22.712 1.00 0.00 C ATOM 442 NH1 ARG A 29 11.625 -6.539 -21.783 1.00 0.00 N ATOM 443 NH2 ARG A 29 10.805 -6.871 -23.900 1.00 0.00 N ATOM 0 H ARG A 29 11.425 -9.985 -16.454 1.00 0.00 H new ATOM 0 HA ARG A 29 9.924 -7.982 -17.608 1.00 0.00 H new ATOM 0 HB2 ARG A 29 11.753 -9.509 -18.588 1.00 0.00 H new ATOM 0 HB3 ARG A 29 10.482 -10.680 -18.880 1.00 0.00 H new ATOM 0 HG2 ARG A 29 9.347 -9.214 -20.409 1.00 0.00 H new ATOM 0 HG3 ARG A 29 10.327 -7.841 -19.935 1.00 0.00 H new ATOM 0 HD2 ARG A 29 12.343 -8.927 -20.872 1.00 0.00 H new ATOM 0 HD3 ARG A 29 11.402 -10.344 -21.295 1.00 0.00 H new ATOM 0 HE ARG A 29 10.631 -9.249 -23.192 1.00 0.00 H new ATOM 0 HH11 ARG A 29 11.888 -6.907 -20.869 1.00 0.00 H new ATOM 0 HH12 ARG A 29 11.732 -5.544 -21.982 1.00 0.00 H new ATOM 0 HH21 ARG A 29 10.436 -7.495 -24.617 1.00 0.00 H new ATOM 0 HH22 ARG A 29 10.913 -5.876 -24.097 1.00 0.00 H new ATOM 457 N THR A 30 8.191 -10.704 -17.063 1.00 0.00 N ATOM 458 CA THR A 30 6.845 -11.264 -17.056 1.00 0.00 C ATOM 459 C THR A 30 5.871 -10.345 -16.328 1.00 0.00 C ATOM 460 O THR A 30 4.744 -10.136 -16.778 1.00 0.00 O ATOM 461 CB THR A 30 6.817 -12.653 -16.390 1.00 0.00 C ATOM 462 OG1 THR A 30 5.475 -13.150 -16.349 1.00 0.00 O ATOM 463 CG2 THR A 30 7.383 -12.588 -14.980 1.00 0.00 C ATOM 0 H THR A 30 8.889 -11.279 -16.592 1.00 0.00 H new ATOM 0 HA THR A 30 6.539 -11.362 -18.097 1.00 0.00 H new ATOM 0 HB THR A 30 7.435 -13.328 -16.982 1.00 0.00 H new ATOM 0 HG1 THR A 30 5.466 -14.034 -15.926 1.00 0.00 H new ATOM 0 HG21 THR A 30 7.353 -13.580 -14.530 1.00 0.00 H new ATOM 0 HG22 THR A 30 8.414 -12.238 -15.018 1.00 0.00 H new ATOM 0 HG23 THR A 30 6.788 -11.899 -14.380 1.00 0.00 H new ATOM 471 N LEU A 31 6.312 -9.796 -15.201 1.00 0.00 N ATOM 472 CA LEU A 31 5.479 -8.897 -14.411 1.00 0.00 C ATOM 473 C LEU A 31 5.333 -7.544 -15.099 1.00 0.00 C ATOM 474 O LEU A 31 4.652 -6.650 -14.596 1.00 0.00 O ATOM 475 CB LEU A 31 6.077 -8.710 -13.015 1.00 0.00 C ATOM 476 CG LEU A 31 6.656 -9.965 -12.360 1.00 0.00 C ATOM 477 CD1 LEU A 31 7.380 -9.608 -11.071 1.00 0.00 C ATOM 478 CD2 LEU A 31 5.557 -10.982 -12.092 1.00 0.00 C ATOM 0 H LEU A 31 7.242 -9.958 -14.814 1.00 0.00 H new ATOM 0 HA LEU A 31 4.490 -9.346 -14.319 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.865 -7.960 -13.077 1.00 0.00 H new ATOM 0 HB3 LEU A 31 5.304 -8.307 -12.361 1.00 0.00 H new ATOM 0 HG LEU A 31 7.376 -10.411 -13.046 1.00 0.00 H new ATOM 0 HD11 LEU A 31 7.785 -10.513 -10.619 1.00 0.00 H new ATOM 0 HD12 LEU A 31 8.193 -8.916 -11.290 1.00 0.00 H new ATOM 0 HD13 LEU A 31 6.681 -9.138 -10.379 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.987 -11.868 -11.626 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.813 -10.546 -11.425 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.082 -11.261 -13.033 1.00 0.00 H new ATOM 490 N GLY A 32 5.975 -7.400 -16.254 1.00 0.00 N ATOM 491 CA GLY A 32 5.902 -6.154 -16.994 1.00 0.00 C ATOM 492 C GLY A 32 7.155 -5.315 -16.840 1.00 0.00 C ATOM 493 O GLY A 32 7.170 -4.138 -17.202 1.00 0.00 O ATOM 0 H GLY A 32 6.545 -8.125 -16.691 1.00 0.00 H new ATOM 0 HA2 GLY A 32 5.741 -6.371 -18.050 1.00 0.00 H new ATOM 0 HA3 GLY A 32 5.040 -5.581 -16.651 1.00 0.00 H new ATOM 497 N SER A 33 8.209 -5.920 -16.301 1.00 0.00 N ATOM 498 CA SER A 33 9.471 -5.219 -16.096 1.00 0.00 C ATOM 499 C SER A 33 10.037 -4.719 -17.422 1.00 0.00 C ATOM 500 O SER A 33 9.385 -4.809 -18.463 1.00 0.00 O ATOM 501 CB SER A 33 10.483 -6.137 -15.409 1.00 0.00 C ATOM 502 OG SER A 33 10.028 -6.530 -14.126 1.00 0.00 O ATOM 0 H SER A 33 8.214 -6.894 -15.998 1.00 0.00 H new ATOM 0 HA SER A 33 9.280 -4.358 -15.456 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.653 -7.021 -16.024 1.00 0.00 H new ATOM 0 HB3 SER A 33 11.440 -5.624 -15.317 1.00 0.00 H new ATOM 0 HG SER A 33 9.300 -7.179 -14.222 1.00 0.00 H new ATOM 508 N THR A 34 11.257 -4.193 -17.376 1.00 0.00 N ATOM 509 CA THR A 34 11.912 -3.678 -18.572 1.00 0.00 C ATOM 510 C THR A 34 13.403 -3.995 -18.561 1.00 0.00 C ATOM 511 O THR A 34 13.942 -4.524 -19.533 1.00 0.00 O ATOM 512 CB THR A 34 11.724 -2.155 -18.704 1.00 0.00 C ATOM 513 OG1 THR A 34 10.707 -1.707 -17.801 1.00 0.00 O ATOM 514 CG2 THR A 34 11.345 -1.778 -20.129 1.00 0.00 C ATOM 0 H THR A 34 11.811 -4.112 -16.524 1.00 0.00 H new ATOM 0 HA THR A 34 11.444 -4.170 -19.425 1.00 0.00 H new ATOM 0 HB THR A 34 12.669 -1.672 -18.456 1.00 0.00 H new ATOM 0 HG1 THR A 34 10.595 -0.738 -17.890 1.00 0.00 H new ATOM 0 HG21 THR A 34 11.218 -0.698 -20.198 1.00 0.00 H new ATOM 0 HG22 THR A 34 12.134 -2.095 -20.811 1.00 0.00 H new ATOM 0 HG23 THR A 34 10.412 -2.271 -20.400 1.00 0.00 H new ATOM 522 N SER A 35 14.065 -3.668 -17.456 1.00 0.00 N ATOM 523 CA SER A 35 15.496 -3.916 -17.320 1.00 0.00 C ATOM 524 C SER A 35 15.756 -5.318 -16.779 1.00 0.00 C ATOM 525 O SER A 35 16.448 -5.490 -15.775 1.00 0.00 O ATOM 526 CB SER A 35 16.130 -2.874 -16.396 1.00 0.00 C ATOM 527 OG SER A 35 15.306 -2.623 -15.270 1.00 0.00 O ATOM 0 H SER A 35 13.634 -3.231 -16.642 1.00 0.00 H new ATOM 0 HA SER A 35 15.949 -3.838 -18.309 1.00 0.00 H new ATOM 0 HB2 SER A 35 17.108 -3.224 -16.065 1.00 0.00 H new ATOM 0 HB3 SER A 35 16.293 -1.947 -16.946 1.00 0.00 H new ATOM 0 HG SER A 35 15.192 -3.450 -14.757 1.00 0.00 H new ATOM 533 N ALA A 36 15.195 -6.318 -17.451 1.00 0.00 N ATOM 534 CA ALA A 36 15.367 -7.706 -17.039 1.00 0.00 C ATOM 535 C ALA A 36 16.732 -8.239 -17.463 1.00 0.00 C ATOM 536 O ALA A 36 17.480 -8.776 -16.646 1.00 0.00 O ATOM 537 CB ALA A 36 14.258 -8.570 -17.620 1.00 0.00 C ATOM 0 H ALA A 36 14.618 -6.193 -18.283 1.00 0.00 H new ATOM 0 HA ALA A 36 15.312 -7.746 -15.951 1.00 0.00 H new ATOM 0 HB1 ALA A 36 14.399 -9.604 -17.304 1.00 0.00 H new ATOM 0 HB2 ALA A 36 13.292 -8.210 -17.264 1.00 0.00 H new ATOM 0 HB3 ALA A 36 14.287 -8.516 -18.708 1.00 0.00 H new ATOM 543 N ASP A 37 17.049 -8.088 -18.744 1.00 0.00 N ATOM 544 CA ASP A 37 18.324 -8.554 -19.276 1.00 0.00 C ATOM 545 C ASP A 37 19.465 -7.646 -18.828 1.00 0.00 C ATOM 546 O ASP A 37 20.616 -8.074 -18.745 1.00 0.00 O ATOM 547 CB ASP A 37 18.273 -8.614 -20.803 1.00 0.00 C ATOM 548 CG ASP A 37 19.300 -9.568 -21.380 1.00 0.00 C ATOM 549 OD1 ASP A 37 20.505 -9.249 -21.322 1.00 0.00 O ATOM 550 OD2 ASP A 37 18.897 -10.635 -21.892 1.00 0.00 O ATOM 0 H ASP A 37 16.441 -7.646 -19.433 1.00 0.00 H new ATOM 0 HA ASP A 37 18.507 -9.556 -18.887 1.00 0.00 H new ATOM 0 HB2 ASP A 37 17.277 -8.923 -21.118 1.00 0.00 H new ATOM 0 HB3 ASP A 37 18.440 -7.616 -21.209 1.00 0.00 H new ATOM 555 N GLU A 38 19.137 -6.390 -18.542 1.00 0.00 N ATOM 556 CA GLU A 38 20.135 -5.421 -18.104 1.00 0.00 C ATOM 557 C GLU A 38 20.887 -5.931 -16.878 1.00 0.00 C ATOM 558 O GLU A 38 22.060 -5.612 -16.679 1.00 0.00 O ATOM 559 CB GLU A 38 19.470 -4.079 -17.786 1.00 0.00 C ATOM 560 CG GLU A 38 18.784 -3.441 -18.983 1.00 0.00 C ATOM 561 CD GLU A 38 19.730 -2.601 -19.818 1.00 0.00 C ATOM 562 OE1 GLU A 38 20.591 -3.186 -20.508 1.00 0.00 O ATOM 563 OE2 GLU A 38 19.610 -1.358 -19.781 1.00 0.00 O ATOM 0 H GLU A 38 18.189 -6.020 -18.606 1.00 0.00 H new ATOM 0 HA GLU A 38 20.849 -5.282 -18.915 1.00 0.00 H new ATOM 0 HB2 GLU A 38 18.737 -4.225 -16.993 1.00 0.00 H new ATOM 0 HB3 GLU A 38 20.223 -3.392 -17.401 1.00 0.00 H new ATOM 0 HG2 GLU A 38 18.350 -4.222 -19.607 1.00 0.00 H new ATOM 0 HG3 GLU A 38 17.961 -2.817 -18.635 1.00 0.00 H new ATOM 570 N VAL A 39 20.204 -6.724 -16.060 1.00 0.00 N ATOM 571 CA VAL A 39 20.807 -7.280 -14.854 1.00 0.00 C ATOM 572 C VAL A 39 21.009 -8.785 -14.983 1.00 0.00 C ATOM 573 O VAL A 39 21.814 -9.377 -14.265 1.00 0.00 O ATOM 574 CB VAL A 39 19.943 -6.993 -13.611 1.00 0.00 C ATOM 575 CG1 VAL A 39 18.524 -7.499 -13.819 1.00 0.00 C ATOM 576 CG2 VAL A 39 20.566 -7.621 -12.374 1.00 0.00 C ATOM 0 H VAL A 39 19.233 -6.996 -16.210 1.00 0.00 H new ATOM 0 HA VAL A 39 21.776 -6.796 -14.733 1.00 0.00 H new ATOM 0 HB VAL A 39 19.900 -5.914 -13.460 1.00 0.00 H new ATOM 0 HG11 VAL A 39 17.928 -7.288 -12.931 1.00 0.00 H new ATOM 0 HG12 VAL A 39 18.082 -6.998 -14.680 1.00 0.00 H new ATOM 0 HG13 VAL A 39 18.543 -8.574 -13.995 1.00 0.00 H new ATOM 0 HG21 VAL A 39 19.943 -7.409 -11.505 1.00 0.00 H new ATOM 0 HG22 VAL A 39 20.641 -8.700 -12.512 1.00 0.00 H new ATOM 0 HG23 VAL A 39 21.561 -7.205 -12.217 1.00 0.00 H new ATOM 586 N GLN A 40 20.271 -9.398 -15.904 1.00 0.00 N ATOM 587 CA GLN A 40 20.369 -10.836 -16.127 1.00 0.00 C ATOM 588 C GLN A 40 21.816 -11.252 -16.369 1.00 0.00 C ATOM 589 O GLN A 40 22.189 -12.402 -16.137 1.00 0.00 O ATOM 590 CB GLN A 40 19.501 -11.249 -17.317 1.00 0.00 C ATOM 591 CG GLN A 40 19.116 -12.719 -17.307 1.00 0.00 C ATOM 592 CD GLN A 40 19.792 -13.507 -18.411 1.00 0.00 C ATOM 593 OE1 GLN A 40 20.929 -13.221 -18.787 1.00 0.00 O ATOM 594 NE2 GLN A 40 19.095 -14.507 -18.938 1.00 0.00 N ATOM 0 H GLN A 40 19.600 -8.922 -16.507 1.00 0.00 H new ATOM 0 HA GLN A 40 20.010 -11.343 -15.231 1.00 0.00 H new ATOM 0 HB2 GLN A 40 18.594 -10.644 -17.322 1.00 0.00 H new ATOM 0 HB3 GLN A 40 20.036 -11.028 -18.241 1.00 0.00 H new ATOM 0 HG2 GLN A 40 19.379 -13.153 -16.342 1.00 0.00 H new ATOM 0 HG3 GLN A 40 18.035 -12.808 -17.412 1.00 0.00 H new ATOM 0 HE21 GLN A 40 18.156 -14.710 -18.596 1.00 0.00 H new ATOM 0 HE22 GLN A 40 19.499 -15.073 -19.684 1.00 0.00 H new ATOM 603 N ARG A 41 22.628 -10.309 -16.836 1.00 0.00 N ATOM 604 CA ARG A 41 24.034 -10.578 -17.112 1.00 0.00 C ATOM 605 C ARG A 41 24.934 -9.666 -16.284 1.00 0.00 C ATOM 606 O ARG A 41 26.123 -9.526 -16.569 1.00 0.00 O ATOM 607 CB ARG A 41 24.329 -10.389 -18.601 1.00 0.00 C ATOM 608 CG ARG A 41 24.147 -8.959 -19.081 1.00 0.00 C ATOM 609 CD ARG A 41 25.246 -8.552 -20.050 1.00 0.00 C ATOM 610 NE ARG A 41 24.843 -8.736 -21.442 1.00 0.00 N ATOM 611 CZ ARG A 41 24.003 -7.926 -22.077 1.00 0.00 C ATOM 612 NH1 ARG A 41 23.480 -6.883 -21.448 1.00 0.00 N ATOM 613 NH2 ARG A 41 23.686 -8.159 -23.345 1.00 0.00 N ATOM 0 H ARG A 41 22.336 -9.351 -17.031 1.00 0.00 H new ATOM 0 HA ARG A 41 24.241 -11.612 -16.837 1.00 0.00 H new ATOM 0 HB2 ARG A 41 25.353 -10.703 -18.803 1.00 0.00 H new ATOM 0 HB3 ARG A 41 23.675 -11.043 -19.178 1.00 0.00 H new ATOM 0 HG2 ARG A 41 23.176 -8.858 -19.567 1.00 0.00 H new ATOM 0 HG3 ARG A 41 24.147 -8.284 -18.225 1.00 0.00 H new ATOM 0 HD2 ARG A 41 25.508 -7.507 -19.883 1.00 0.00 H new ATOM 0 HD3 ARG A 41 26.141 -9.141 -19.851 1.00 0.00 H new ATOM 0 HE ARG A 41 25.228 -9.530 -21.954 1.00 0.00 H new ATOM 0 HH11 ARG A 41 23.722 -6.701 -20.474 1.00 0.00 H new ATOM 0 HH12 ARG A 41 22.835 -6.263 -21.938 1.00 0.00 H new ATOM 0 HH21 ARG A 41 24.087 -8.960 -23.832 1.00 0.00 H new ATOM 0 HH22 ARG A 41 23.041 -7.537 -23.832 1.00 0.00 H new ATOM 627 N MET A 42 24.359 -9.048 -15.258 1.00 0.00 N ATOM 628 CA MET A 42 25.110 -8.150 -14.388 1.00 0.00 C ATOM 629 C MET A 42 24.671 -8.306 -12.936 1.00 0.00 C ATOM 630 O MET A 42 24.937 -7.442 -12.101 1.00 0.00 O ATOM 631 CB MET A 42 24.924 -6.699 -14.836 1.00 0.00 C ATOM 632 CG MET A 42 25.596 -6.381 -16.162 1.00 0.00 C ATOM 633 SD MET A 42 26.053 -4.644 -16.310 1.00 0.00 S ATOM 634 CE MET A 42 25.199 -4.197 -17.820 1.00 0.00 C ATOM 0 H MET A 42 23.376 -9.152 -15.008 1.00 0.00 H new ATOM 0 HA MET A 42 26.165 -8.413 -14.460 1.00 0.00 H new ATOM 0 HB2 MET A 42 23.858 -6.487 -14.918 1.00 0.00 H new ATOM 0 HB3 MET A 42 25.323 -6.036 -14.068 1.00 0.00 H new ATOM 0 HG2 MET A 42 26.488 -6.998 -16.270 1.00 0.00 H new ATOM 0 HG3 MET A 42 24.924 -6.647 -16.978 1.00 0.00 H new ATOM 0 HE1 MET A 42 25.385 -3.147 -18.046 1.00 0.00 H new ATOM 0 HE2 MET A 42 25.563 -4.815 -18.641 1.00 0.00 H new ATOM 0 HE3 MET A 42 24.128 -4.357 -17.693 1.00 0.00 H new ATOM 644 N MET A 43 23.997 -9.414 -12.642 1.00 0.00 N ATOM 645 CA MET A 43 23.523 -9.683 -11.289 1.00 0.00 C ATOM 646 C MET A 43 24.637 -10.271 -10.429 1.00 0.00 C ATOM 647 O MET A 43 24.610 -10.163 -9.203 1.00 0.00 O ATOM 648 CB MET A 43 22.330 -10.641 -11.325 1.00 0.00 C ATOM 649 CG MET A 43 21.563 -10.705 -10.015 1.00 0.00 C ATOM 650 SD MET A 43 19.871 -10.100 -10.171 1.00 0.00 S ATOM 651 CE MET A 43 19.688 -9.205 -8.630 1.00 0.00 C ATOM 0 H MET A 43 23.767 -10.139 -13.322 1.00 0.00 H new ATOM 0 HA MET A 43 23.208 -8.738 -10.847 1.00 0.00 H new ATOM 0 HB2 MET A 43 21.651 -10.333 -12.120 1.00 0.00 H new ATOM 0 HB3 MET A 43 22.684 -11.640 -11.578 1.00 0.00 H new ATOM 0 HG2 MET A 43 21.545 -11.735 -9.659 1.00 0.00 H new ATOM 0 HG3 MET A 43 22.087 -10.116 -9.262 1.00 0.00 H new ATOM 0 HE1 MET A 43 18.656 -9.277 -8.288 1.00 0.00 H new ATOM 0 HE2 MET A 43 20.350 -9.635 -7.878 1.00 0.00 H new ATOM 0 HE3 MET A 43 19.947 -8.158 -8.785 1.00 0.00 H new ATOM 661 N ALA A 44 25.614 -10.893 -11.079 1.00 0.00 N ATOM 662 CA ALA A 44 26.738 -11.497 -10.374 1.00 0.00 C ATOM 663 C ALA A 44 27.885 -10.504 -10.216 1.00 0.00 C ATOM 664 O ALA A 44 28.980 -10.870 -9.793 1.00 0.00 O ATOM 665 CB ALA A 44 27.213 -12.743 -11.106 1.00 0.00 C ATOM 0 H ALA A 44 25.650 -10.992 -12.094 1.00 0.00 H new ATOM 0 HA ALA A 44 26.399 -11.782 -9.378 1.00 0.00 H new ATOM 0 HB1 ALA A 44 28.053 -13.183 -10.568 1.00 0.00 H new ATOM 0 HB2 ALA A 44 26.399 -13.465 -11.161 1.00 0.00 H new ATOM 0 HB3 ALA A 44 27.529 -12.475 -12.114 1.00 0.00 H new ATOM 671 N GLU A 45 27.624 -9.247 -10.561 1.00 0.00 N ATOM 672 CA GLU A 45 28.637 -8.202 -10.459 1.00 0.00 C ATOM 673 C GLU A 45 28.138 -7.043 -9.600 1.00 0.00 C ATOM 674 O GLU A 45 28.807 -6.017 -9.475 1.00 0.00 O ATOM 675 CB GLU A 45 29.018 -7.693 -11.850 1.00 0.00 C ATOM 676 CG GLU A 45 27.866 -7.043 -12.598 1.00 0.00 C ATOM 677 CD GLU A 45 28.290 -6.463 -13.933 1.00 0.00 C ATOM 678 OE1 GLU A 45 28.377 -7.230 -14.914 1.00 0.00 O ATOM 679 OE2 GLU A 45 28.534 -5.239 -13.996 1.00 0.00 O ATOM 0 H GLU A 45 26.722 -8.928 -10.913 1.00 0.00 H new ATOM 0 HA GLU A 45 29.519 -8.631 -9.983 1.00 0.00 H new ATOM 0 HB2 GLU A 45 29.830 -6.972 -11.754 1.00 0.00 H new ATOM 0 HB3 GLU A 45 29.399 -8.526 -12.440 1.00 0.00 H new ATOM 0 HG2 GLU A 45 27.080 -7.781 -12.760 1.00 0.00 H new ATOM 0 HG3 GLU A 45 27.438 -6.252 -11.982 1.00 0.00 H new ATOM 686 N ILE A 46 26.959 -7.215 -9.012 1.00 0.00 N ATOM 687 CA ILE A 46 26.371 -6.185 -8.165 1.00 0.00 C ATOM 688 C ILE A 46 26.300 -6.642 -6.712 1.00 0.00 C ATOM 689 O ILE A 46 26.184 -5.825 -5.798 1.00 0.00 O ATOM 690 CB ILE A 46 24.957 -5.804 -8.641 1.00 0.00 C ATOM 691 CG1 ILE A 46 24.123 -7.063 -8.891 1.00 0.00 C ATOM 692 CG2 ILE A 46 25.033 -4.955 -9.901 1.00 0.00 C ATOM 693 CD1 ILE A 46 22.773 -7.038 -8.208 1.00 0.00 C ATOM 0 H ILE A 46 26.392 -8.058 -9.107 1.00 0.00 H new ATOM 0 HA ILE A 46 27.018 -5.311 -8.237 1.00 0.00 H new ATOM 0 HB ILE A 46 24.472 -5.218 -7.860 1.00 0.00 H new ATOM 0 HG12 ILE A 46 23.976 -7.185 -9.964 1.00 0.00 H new ATOM 0 HG13 ILE A 46 24.681 -7.933 -8.545 1.00 0.00 H new ATOM 0 HG21 ILE A 46 24.026 -4.694 -10.225 1.00 0.00 H new ATOM 0 HG22 ILE A 46 25.595 -4.044 -9.693 1.00 0.00 H new ATOM 0 HG23 ILE A 46 25.533 -5.518 -10.689 1.00 0.00 H new ATOM 0 HD11 ILE A 46 22.237 -7.961 -8.428 1.00 0.00 H new ATOM 0 HD12 ILE A 46 22.912 -6.948 -7.131 1.00 0.00 H new ATOM 0 HD13 ILE A 46 22.197 -6.188 -8.572 1.00 0.00 H new ATOM 705 N ASP A 47 26.373 -7.952 -6.506 1.00 0.00 N ATOM 706 CA ASP A 47 26.319 -8.519 -5.163 1.00 0.00 C ATOM 707 C ASP A 47 26.486 -10.035 -5.206 1.00 0.00 C ATOM 708 O ASP A 47 27.392 -10.589 -4.583 1.00 0.00 O ATOM 709 CB ASP A 47 24.996 -8.158 -4.486 1.00 0.00 C ATOM 710 CG ASP A 47 25.198 -7.409 -3.183 1.00 0.00 C ATOM 711 OD1 ASP A 47 26.029 -7.855 -2.364 1.00 0.00 O ATOM 712 OD2 ASP A 47 24.526 -6.376 -2.983 1.00 0.00 O ATOM 0 H ASP A 47 26.470 -8.642 -7.251 1.00 0.00 H new ATOM 0 HA ASP A 47 27.141 -8.097 -4.584 1.00 0.00 H new ATOM 0 HB2 ASP A 47 24.399 -7.548 -5.164 1.00 0.00 H new ATOM 0 HB3 ASP A 47 24.429 -9.069 -4.294 1.00 0.00 H new ATOM 717 N THR A 48 25.605 -10.702 -5.945 1.00 0.00 N ATOM 718 CA THR A 48 25.652 -12.153 -6.068 1.00 0.00 C ATOM 719 C THR A 48 27.054 -12.628 -6.431 1.00 0.00 C ATOM 720 O THR A 48 27.611 -12.227 -7.453 1.00 0.00 O ATOM 721 CB THR A 48 24.659 -12.660 -7.130 1.00 0.00 C ATOM 722 OG1 THR A 48 23.640 -11.680 -7.356 1.00 0.00 O ATOM 723 CG2 THR A 48 24.022 -13.971 -6.694 1.00 0.00 C ATOM 0 H THR A 48 24.849 -10.259 -6.468 1.00 0.00 H new ATOM 0 HA THR A 48 25.373 -12.562 -5.097 1.00 0.00 H new ATOM 0 HB THR A 48 25.208 -12.832 -8.056 1.00 0.00 H new ATOM 0 HG1 THR A 48 23.819 -11.210 -8.197 1.00 0.00 H new ATOM 0 HG21 THR A 48 23.324 -14.309 -7.460 1.00 0.00 H new ATOM 0 HG22 THR A 48 24.798 -14.723 -6.552 1.00 0.00 H new ATOM 0 HG23 THR A 48 23.486 -13.821 -5.757 1.00 0.00 H new ATOM 731 N ASP A 49 27.621 -13.485 -5.588 1.00 0.00 N ATOM 732 CA ASP A 49 28.958 -14.016 -5.821 1.00 0.00 C ATOM 733 C ASP A 49 28.930 -15.111 -6.884 1.00 0.00 C ATOM 734 O ASP A 49 29.942 -15.395 -7.524 1.00 0.00 O ATOM 735 CB ASP A 49 29.546 -14.566 -4.521 1.00 0.00 C ATOM 736 CG ASP A 49 31.062 -14.587 -4.534 1.00 0.00 C ATOM 737 OD1 ASP A 49 31.667 -13.537 -4.837 1.00 0.00 O ATOM 738 OD2 ASP A 49 31.644 -15.653 -4.242 1.00 0.00 O ATOM 0 H ASP A 49 27.174 -13.826 -4.737 1.00 0.00 H new ATOM 0 HA ASP A 49 29.588 -13.202 -6.179 1.00 0.00 H new ATOM 0 HB2 ASP A 49 29.201 -13.959 -3.684 1.00 0.00 H new ATOM 0 HB3 ASP A 49 29.173 -15.577 -4.356 1.00 0.00 H new ATOM 743 N GLY A 50 27.764 -15.723 -7.065 1.00 0.00 N ATOM 744 CA GLY A 50 27.626 -16.780 -8.050 1.00 0.00 C ATOM 745 C GLY A 50 26.721 -17.900 -7.576 1.00 0.00 C ATOM 746 O GLY A 50 26.351 -18.780 -8.353 1.00 0.00 O ATOM 0 H GLY A 50 26.912 -15.506 -6.547 1.00 0.00 H new ATOM 0 HA2 GLY A 50 27.227 -16.361 -8.974 1.00 0.00 H new ATOM 0 HA3 GLY A 50 28.610 -17.186 -8.283 1.00 0.00 H new ATOM 750 N ASP A 51 26.364 -17.868 -6.297 1.00 0.00 N ATOM 751 CA ASP A 51 25.496 -18.888 -5.719 1.00 0.00 C ATOM 752 C ASP A 51 24.161 -18.946 -6.455 1.00 0.00 C ATOM 753 O ASP A 51 23.427 -19.928 -6.353 1.00 0.00 O ATOM 754 CB ASP A 51 25.263 -18.609 -4.234 1.00 0.00 C ATOM 755 CG ASP A 51 26.549 -18.301 -3.493 1.00 0.00 C ATOM 756 OD1 ASP A 51 26.988 -17.132 -3.525 1.00 0.00 O ATOM 757 OD2 ASP A 51 27.118 -19.229 -2.881 1.00 0.00 O ATOM 0 H ASP A 51 26.662 -17.147 -5.640 1.00 0.00 H new ATOM 0 HA ASP A 51 25.991 -19.853 -5.825 1.00 0.00 H new ATOM 0 HB2 ASP A 51 24.577 -17.769 -4.129 1.00 0.00 H new ATOM 0 HB3 ASP A 51 24.782 -19.473 -3.776 1.00 0.00 H new ATOM 762 N GLY A 52 23.853 -17.886 -7.196 1.00 0.00 N ATOM 763 CA GLY A 52 22.606 -17.836 -7.936 1.00 0.00 C ATOM 764 C GLY A 52 21.417 -17.526 -7.049 1.00 0.00 C ATOM 765 O GLY A 52 20.289 -17.917 -7.351 1.00 0.00 O ATOM 0 H GLY A 52 24.445 -17.061 -7.297 1.00 0.00 H new ATOM 0 HA2 GLY A 52 22.680 -17.079 -8.716 1.00 0.00 H new ATOM 0 HA3 GLY A 52 22.444 -18.792 -8.434 1.00 0.00 H new ATOM 769 N PHE A 53 21.668 -16.822 -5.951 1.00 0.00 N ATOM 770 CA PHE A 53 20.609 -16.461 -5.015 1.00 0.00 C ATOM 771 C PHE A 53 20.929 -15.144 -4.314 1.00 0.00 C ATOM 772 O PHE A 53 22.021 -14.596 -4.466 1.00 0.00 O ATOM 773 CB PHE A 53 20.416 -17.570 -3.978 1.00 0.00 C ATOM 774 CG PHE A 53 19.821 -18.826 -4.548 1.00 0.00 C ATOM 775 CD1 PHE A 53 18.448 -18.970 -4.660 1.00 0.00 C ATOM 776 CD2 PHE A 53 20.636 -19.863 -4.973 1.00 0.00 C ATOM 777 CE1 PHE A 53 17.899 -20.125 -5.183 1.00 0.00 C ATOM 778 CE2 PHE A 53 20.093 -21.020 -5.498 1.00 0.00 C ATOM 779 CZ PHE A 53 18.722 -21.151 -5.604 1.00 0.00 C ATOM 0 H PHE A 53 22.595 -16.490 -5.687 1.00 0.00 H new ATOM 0 HA PHE A 53 19.685 -16.337 -5.580 1.00 0.00 H new ATOM 0 HB2 PHE A 53 21.380 -17.806 -3.527 1.00 0.00 H new ATOM 0 HB3 PHE A 53 19.772 -17.202 -3.180 1.00 0.00 H new ATOM 0 HD1 PHE A 53 17.799 -18.170 -4.335 1.00 0.00 H new ATOM 0 HD2 PHE A 53 21.709 -19.766 -4.893 1.00 0.00 H new ATOM 0 HE1 PHE A 53 16.827 -20.225 -5.263 1.00 0.00 H new ATOM 0 HE2 PHE A 53 20.740 -21.821 -5.825 1.00 0.00 H new ATOM 0 HZ PHE A 53 18.295 -22.054 -6.015 1.00 0.00 H new ATOM 789 N ILE A 54 19.968 -14.641 -3.545 1.00 0.00 N ATOM 790 CA ILE A 54 20.146 -13.390 -2.820 1.00 0.00 C ATOM 791 C ILE A 54 19.259 -13.341 -1.581 1.00 0.00 C ATOM 792 O ILE A 54 18.036 -13.446 -1.676 1.00 0.00 O ATOM 793 CB ILE A 54 19.832 -12.173 -3.711 1.00 0.00 C ATOM 794 CG1 ILE A 54 18.494 -12.370 -4.427 1.00 0.00 C ATOM 795 CG2 ILE A 54 20.951 -11.952 -4.719 1.00 0.00 C ATOM 796 CD1 ILE A 54 18.200 -11.306 -5.462 1.00 0.00 C ATOM 0 H ILE A 54 19.058 -15.082 -3.409 1.00 0.00 H new ATOM 0 HA ILE A 54 21.192 -13.348 -2.517 1.00 0.00 H new ATOM 0 HB ILE A 54 19.758 -11.288 -3.079 1.00 0.00 H new ATOM 0 HG12 ILE A 54 18.490 -13.347 -4.911 1.00 0.00 H new ATOM 0 HG13 ILE A 54 17.693 -12.377 -3.688 1.00 0.00 H new ATOM 0 HG21 ILE A 54 20.715 -11.089 -5.341 1.00 0.00 H new ATOM 0 HG22 ILE A 54 21.887 -11.773 -4.190 1.00 0.00 H new ATOM 0 HG23 ILE A 54 21.053 -12.836 -5.348 1.00 0.00 H new ATOM 0 HD11 ILE A 54 17.236 -11.509 -5.929 1.00 0.00 H new ATOM 0 HD12 ILE A 54 18.171 -10.328 -4.981 1.00 0.00 H new ATOM 0 HD13 ILE A 54 18.981 -11.313 -6.223 1.00 0.00 H new ATOM 808 N ASP A 55 19.883 -13.179 -0.420 1.00 0.00 N ATOM 809 CA ASP A 55 19.150 -13.112 0.839 1.00 0.00 C ATOM 810 C ASP A 55 18.246 -11.884 0.878 1.00 0.00 C ATOM 811 O ASP A 55 17.024 -12.001 0.970 1.00 0.00 O ATOM 812 CB ASP A 55 20.122 -13.083 2.019 1.00 0.00 C ATOM 813 CG ASP A 55 19.469 -12.593 3.296 1.00 0.00 C ATOM 814 OD1 ASP A 55 18.883 -13.425 4.020 1.00 0.00 O ATOM 815 OD2 ASP A 55 19.542 -11.376 3.571 1.00 0.00 O ATOM 0 H ASP A 55 20.895 -13.092 -0.324 1.00 0.00 H new ATOM 0 HA ASP A 55 18.526 -14.002 0.915 1.00 0.00 H new ATOM 0 HB2 ASP A 55 20.523 -14.084 2.180 1.00 0.00 H new ATOM 0 HB3 ASP A 55 20.966 -12.437 1.775 1.00 0.00 H new ATOM 820 N PHE A 56 18.856 -10.705 0.809 1.00 0.00 N ATOM 821 CA PHE A 56 18.107 -9.454 0.838 1.00 0.00 C ATOM 822 C PHE A 56 19.000 -8.277 0.456 1.00 0.00 C ATOM 823 O PHE A 56 18.664 -7.491 -0.429 1.00 0.00 O ATOM 824 CB PHE A 56 17.509 -9.225 2.228 1.00 0.00 C ATOM 825 CG PHE A 56 16.283 -8.358 2.218 1.00 0.00 C ATOM 826 CD1 PHE A 56 16.335 -7.069 1.714 1.00 0.00 C ATOM 827 CD2 PHE A 56 15.079 -8.833 2.712 1.00 0.00 C ATOM 828 CE1 PHE A 56 15.208 -6.268 1.704 1.00 0.00 C ATOM 829 CE2 PHE A 56 13.948 -8.037 2.704 1.00 0.00 C ATOM 830 CZ PHE A 56 14.013 -6.754 2.198 1.00 0.00 C ATOM 0 H PHE A 56 19.867 -10.590 0.733 1.00 0.00 H new ATOM 0 HA PHE A 56 17.299 -9.526 0.110 1.00 0.00 H new ATOM 0 HB2 PHE A 56 17.259 -10.189 2.670 1.00 0.00 H new ATOM 0 HB3 PHE A 56 18.263 -8.767 2.868 1.00 0.00 H new ATOM 0 HD1 PHE A 56 17.266 -6.685 1.324 1.00 0.00 H new ATOM 0 HD2 PHE A 56 15.023 -9.836 3.108 1.00 0.00 H new ATOM 0 HE1 PHE A 56 15.262 -5.264 1.310 1.00 0.00 H new ATOM 0 HE2 PHE A 56 13.015 -8.418 3.093 1.00 0.00 H new ATOM 0 HZ PHE A 56 13.131 -6.131 2.188 1.00 0.00 H new ATOM 840 N ASN A 57 20.139 -8.162 1.132 1.00 0.00 N ATOM 841 CA ASN A 57 21.080 -7.080 0.865 1.00 0.00 C ATOM 842 C ASN A 57 21.544 -7.109 -0.588 1.00 0.00 C ATOM 843 O ASN A 57 21.951 -6.087 -1.140 1.00 0.00 O ATOM 844 CB ASN A 57 22.287 -7.184 1.800 1.00 0.00 C ATOM 845 CG ASN A 57 22.153 -6.289 3.017 1.00 0.00 C ATOM 846 OD1 ASN A 57 22.760 -5.220 3.085 1.00 0.00 O ATOM 847 ND2 ASN A 57 21.357 -6.725 3.986 1.00 0.00 N ATOM 0 H ASN A 57 20.432 -8.804 1.868 1.00 0.00 H new ATOM 0 HA ASN A 57 20.569 -6.134 1.046 1.00 0.00 H new ATOM 0 HB2 ASN A 57 22.405 -8.218 2.124 1.00 0.00 H new ATOM 0 HB3 ASN A 57 23.191 -6.916 1.253 1.00 0.00 H new ATOM 0 HD21 ASN A 57 21.229 -6.167 4.830 1.00 0.00 H new ATOM 0 HD22 ASN A 57 20.874 -7.618 3.886 1.00 0.00 H new ATOM 854 N GLU A 58 21.480 -8.287 -1.201 1.00 0.00 N ATOM 855 CA GLU A 58 21.894 -8.449 -2.590 1.00 0.00 C ATOM 856 C GLU A 58 20.734 -8.166 -3.540 1.00 0.00 C ATOM 857 O GLU A 58 20.934 -7.956 -4.736 1.00 0.00 O ATOM 858 CB GLU A 58 22.426 -9.864 -2.825 1.00 0.00 C ATOM 859 CG GLU A 58 23.616 -10.220 -1.949 1.00 0.00 C ATOM 860 CD GLU A 58 24.274 -11.523 -2.361 1.00 0.00 C ATOM 861 OE1 GLU A 58 23.747 -12.595 -1.998 1.00 0.00 O ATOM 862 OE2 GLU A 58 25.317 -11.470 -3.047 1.00 0.00 O ATOM 0 H GLU A 58 21.146 -9.143 -0.758 1.00 0.00 H new ATOM 0 HA GLU A 58 22.689 -7.731 -2.791 1.00 0.00 H new ATOM 0 HB2 GLU A 58 21.624 -10.580 -2.643 1.00 0.00 H new ATOM 0 HB3 GLU A 58 22.712 -9.966 -3.872 1.00 0.00 H new ATOM 0 HG2 GLU A 58 24.350 -9.416 -1.996 1.00 0.00 H new ATOM 0 HG3 GLU A 58 23.290 -10.294 -0.912 1.00 0.00 H new ATOM 869 N PHE A 59 19.521 -8.161 -2.998 1.00 0.00 N ATOM 870 CA PHE A 59 18.328 -7.906 -3.796 1.00 0.00 C ATOM 871 C PHE A 59 18.006 -6.415 -3.831 1.00 0.00 C ATOM 872 O PHE A 59 17.394 -5.923 -4.780 1.00 0.00 O ATOM 873 CB PHE A 59 17.136 -8.684 -3.235 1.00 0.00 C ATOM 874 CG PHE A 59 15.805 -8.140 -3.673 1.00 0.00 C ATOM 875 CD1 PHE A 59 15.285 -8.464 -4.916 1.00 0.00 C ATOM 876 CD2 PHE A 59 15.075 -7.307 -2.841 1.00 0.00 C ATOM 877 CE1 PHE A 59 14.062 -7.965 -5.321 1.00 0.00 C ATOM 878 CE2 PHE A 59 13.851 -6.805 -3.241 1.00 0.00 C ATOM 879 CZ PHE A 59 13.343 -7.136 -4.483 1.00 0.00 C ATOM 0 H PHE A 59 19.338 -8.331 -2.009 1.00 0.00 H new ATOM 0 HA PHE A 59 18.524 -8.242 -4.814 1.00 0.00 H new ATOM 0 HB2 PHE A 59 17.214 -9.726 -3.546 1.00 0.00 H new ATOM 0 HB3 PHE A 59 17.184 -8.672 -2.146 1.00 0.00 H new ATOM 0 HD1 PHE A 59 15.842 -9.114 -5.575 1.00 0.00 H new ATOM 0 HD2 PHE A 59 15.467 -7.047 -1.869 1.00 0.00 H new ATOM 0 HE1 PHE A 59 13.668 -8.223 -6.293 1.00 0.00 H new ATOM 0 HE2 PHE A 59 13.292 -6.155 -2.584 1.00 0.00 H new ATOM 0 HZ PHE A 59 12.386 -6.747 -4.797 1.00 0.00 H new ATOM 889 N ILE A 60 18.421 -5.702 -2.789 1.00 0.00 N ATOM 890 CA ILE A 60 18.177 -4.267 -2.700 1.00 0.00 C ATOM 891 C ILE A 60 19.282 -3.478 -3.394 1.00 0.00 C ATOM 892 O ILE A 60 19.084 -2.329 -3.789 1.00 0.00 O ATOM 893 CB ILE A 60 18.074 -3.804 -1.235 1.00 0.00 C ATOM 894 CG1 ILE A 60 16.903 -4.500 -0.539 1.00 0.00 C ATOM 895 CG2 ILE A 60 17.914 -2.292 -1.168 1.00 0.00 C ATOM 896 CD1 ILE A 60 15.549 -4.085 -1.072 1.00 0.00 C ATOM 0 H ILE A 60 18.927 -6.094 -1.995 1.00 0.00 H new ATOM 0 HA ILE A 60 17.228 -4.076 -3.201 1.00 0.00 H new ATOM 0 HB ILE A 60 18.994 -4.076 -0.717 1.00 0.00 H new ATOM 0 HG12 ILE A 60 17.013 -5.579 -0.651 1.00 0.00 H new ATOM 0 HG13 ILE A 60 16.946 -4.285 0.529 1.00 0.00 H new ATOM 0 HG21 ILE A 60 17.842 -1.980 -0.126 1.00 0.00 H new ATOM 0 HG22 ILE A 60 18.777 -1.814 -1.632 1.00 0.00 H new ATOM 0 HG23 ILE A 60 17.008 -1.998 -1.698 1.00 0.00 H new ATOM 0 HD11 ILE A 60 14.766 -4.618 -0.532 1.00 0.00 H new ATOM 0 HD12 ILE A 60 15.417 -3.012 -0.935 1.00 0.00 H new ATOM 0 HD13 ILE A 60 15.486 -4.326 -2.133 1.00 0.00 H new ATOM 908 N SER A 61 20.446 -4.103 -3.542 1.00 0.00 N ATOM 909 CA SER A 61 21.584 -3.459 -4.187 1.00 0.00 C ATOM 910 C SER A 61 21.248 -3.077 -5.625 1.00 0.00 C ATOM 911 O SER A 61 21.534 -1.964 -6.067 1.00 0.00 O ATOM 912 CB SER A 61 22.801 -4.385 -4.164 1.00 0.00 C ATOM 913 OG SER A 61 22.533 -5.597 -4.848 1.00 0.00 O ATOM 0 H SER A 61 20.626 -5.055 -3.224 1.00 0.00 H new ATOM 0 HA SER A 61 21.818 -2.550 -3.633 1.00 0.00 H new ATOM 0 HB2 SER A 61 23.652 -3.884 -4.625 1.00 0.00 H new ATOM 0 HB3 SER A 61 23.079 -4.600 -3.132 1.00 0.00 H new ATOM 0 HG SER A 61 21.762 -6.041 -4.437 1.00 0.00 H new ATOM 919 N PHE A 62 20.638 -4.008 -6.351 1.00 0.00 N ATOM 920 CA PHE A 62 20.263 -3.770 -7.740 1.00 0.00 C ATOM 921 C PHE A 62 18.892 -3.108 -7.828 1.00 0.00 C ATOM 922 O PHE A 62 18.564 -2.465 -8.826 1.00 0.00 O ATOM 923 CB PHE A 62 20.257 -5.086 -8.521 1.00 0.00 C ATOM 924 CG PHE A 62 18.980 -5.332 -9.272 1.00 0.00 C ATOM 925 CD1 PHE A 62 17.878 -5.875 -8.632 1.00 0.00 C ATOM 926 CD2 PHE A 62 18.882 -5.019 -10.619 1.00 0.00 C ATOM 927 CE1 PHE A 62 16.701 -6.101 -9.320 1.00 0.00 C ATOM 928 CE2 PHE A 62 17.707 -5.243 -11.312 1.00 0.00 C ATOM 929 CZ PHE A 62 16.616 -5.786 -10.662 1.00 0.00 C ATOM 0 H PHE A 62 20.393 -4.934 -6.001 1.00 0.00 H new ATOM 0 HA PHE A 62 21.000 -3.098 -8.179 1.00 0.00 H new ATOM 0 HB2 PHE A 62 21.089 -5.085 -9.225 1.00 0.00 H new ATOM 0 HB3 PHE A 62 20.427 -5.911 -7.829 1.00 0.00 H new ATOM 0 HD1 PHE A 62 17.939 -6.125 -7.583 1.00 0.00 H new ATOM 0 HD2 PHE A 62 19.733 -4.596 -11.132 1.00 0.00 H new ATOM 0 HE1 PHE A 62 15.849 -6.523 -8.809 1.00 0.00 H new ATOM 0 HE2 PHE A 62 17.642 -4.994 -12.361 1.00 0.00 H new ATOM 0 HZ PHE A 62 15.698 -5.964 -11.202 1.00 0.00 H new ATOM 939 N CYS A 63 18.095 -3.269 -6.777 1.00 0.00 N ATOM 940 CA CYS A 63 16.758 -2.688 -6.735 1.00 0.00 C ATOM 941 C CYS A 63 16.811 -1.236 -6.270 1.00 0.00 C ATOM 942 O CYS A 63 16.102 -0.845 -5.344 1.00 0.00 O ATOM 943 CB CYS A 63 15.855 -3.501 -5.806 1.00 0.00 C ATOM 944 SG CYS A 63 15.113 -4.954 -6.584 1.00 0.00 S ATOM 0 H CYS A 63 18.352 -3.797 -5.943 1.00 0.00 H new ATOM 0 HA CYS A 63 16.346 -2.713 -7.744 1.00 0.00 H new ATOM 0 HB2 CYS A 63 16.436 -3.822 -4.941 1.00 0.00 H new ATOM 0 HB3 CYS A 63 15.060 -2.855 -5.434 1.00 0.00 H new ATOM 0 HG CYS A 63 15.964 -5.486 -7.411 1.00 0.00 H new ATOM 950 N ASN A 64 17.656 -0.443 -6.920 1.00 0.00 N ATOM 951 CA ASN A 64 17.803 0.966 -6.572 1.00 0.00 C ATOM 952 C ASN A 64 16.485 1.711 -6.753 1.00 0.00 C ATOM 953 O ASN A 64 16.137 2.580 -5.954 1.00 0.00 O ATOM 954 CB ASN A 64 18.890 1.614 -7.432 1.00 0.00 C ATOM 955 CG ASN A 64 20.278 1.108 -7.088 1.00 0.00 C ATOM 956 OD1 ASN A 64 20.755 1.283 -5.967 1.00 0.00 O ATOM 957 ND2 ASN A 64 20.933 0.476 -8.055 1.00 0.00 N ATOM 0 H ASN A 64 18.249 -0.751 -7.690 1.00 0.00 H new ATOM 0 HA ASN A 64 18.094 1.027 -5.523 1.00 0.00 H new ATOM 0 HB2 ASN A 64 18.684 1.415 -8.484 1.00 0.00 H new ATOM 0 HB3 ASN A 64 18.857 2.695 -7.300 1.00 0.00 H new ATOM 0 HD21 ASN A 64 21.871 0.113 -7.883 1.00 0.00 H new ATOM 0 HD22 ASN A 64 20.499 0.354 -8.970 1.00 0.00 H new ATOM 964 N ALA A 65 15.755 1.364 -7.807 1.00 0.00 N ATOM 965 CA ALA A 65 14.473 1.998 -8.091 1.00 0.00 C ATOM 966 C ALA A 65 14.645 3.489 -8.358 1.00 0.00 C ATOM 967 O ALA A 65 13.844 4.307 -7.908 1.00 0.00 O ATOM 968 CB ALA A 65 13.506 1.774 -6.938 1.00 0.00 C ATOM 0 H ALA A 65 16.029 0.647 -8.479 1.00 0.00 H new ATOM 0 HA ALA A 65 14.061 1.540 -8.990 1.00 0.00 H new ATOM 0 HB1 ALA A 65 12.553 2.253 -7.164 1.00 0.00 H new ATOM 0 HB2 ALA A 65 13.350 0.705 -6.796 1.00 0.00 H new ATOM 0 HB3 ALA A 65 13.921 2.204 -6.026 1.00 0.00 H new ATOM 974 N ASN A 66 15.697 3.837 -9.093 1.00 0.00 N ATOM 975 CA ASN A 66 15.975 5.231 -9.418 1.00 0.00 C ATOM 976 C ASN A 66 15.094 5.707 -10.569 1.00 0.00 C ATOM 977 O ASN A 66 14.243 6.583 -10.411 1.00 0.00 O ATOM 978 CB ASN A 66 17.450 5.407 -9.784 1.00 0.00 C ATOM 979 CG ASN A 66 18.248 6.060 -8.673 1.00 0.00 C ATOM 980 OD1 ASN A 66 18.792 7.151 -8.843 1.00 0.00 O ATOM 981 ND2 ASN A 66 18.321 5.394 -7.526 1.00 0.00 N ATOM 0 H ASN A 66 16.370 3.173 -9.474 1.00 0.00 H new ATOM 0 HA ASN A 66 15.751 5.835 -8.538 1.00 0.00 H new ATOM 0 HB2 ASN A 66 17.883 4.434 -10.014 1.00 0.00 H new ATOM 0 HB3 ASN A 66 17.528 6.012 -10.687 1.00 0.00 H new ATOM 0 HD21 ASN A 66 18.844 5.784 -6.742 1.00 0.00 H new ATOM 0 HD22 ASN A 66 17.854 4.492 -7.429 1.00 0.00 H new ATOM 988 N PRO A 67 15.301 5.118 -11.756 1.00 0.00 N ATOM 989 CA PRO A 67 14.534 5.465 -12.956 1.00 0.00 C ATOM 990 C PRO A 67 13.083 5.005 -12.870 1.00 0.00 C ATOM 991 O PRO A 67 12.257 5.363 -13.709 1.00 0.00 O ATOM 992 CB PRO A 67 15.267 4.717 -14.073 1.00 0.00 C ATOM 993 CG PRO A 67 15.933 3.573 -13.390 1.00 0.00 C ATOM 994 CD PRO A 67 16.298 4.067 -12.017 1.00 0.00 C ATOM 0 HA PRO A 67 14.481 6.543 -13.109 1.00 0.00 H new ATOM 0 HB2 PRO A 67 14.573 4.371 -14.839 1.00 0.00 H new ATOM 0 HB3 PRO A 67 15.994 5.360 -14.569 1.00 0.00 H new ATOM 0 HG2 PRO A 67 15.267 2.712 -13.331 1.00 0.00 H new ATOM 0 HG3 PRO A 67 16.819 3.253 -13.938 1.00 0.00 H new ATOM 0 HD2 PRO A 67 16.245 3.270 -11.276 1.00 0.00 H new ATOM 0 HD3 PRO A 67 17.314 4.461 -11.989 1.00 0.00 H new ATOM 1002 N GLY A 68 12.778 4.208 -11.850 1.00 0.00 N ATOM 1003 CA GLY A 68 11.426 3.713 -11.674 1.00 0.00 C ATOM 1004 C GLY A 68 11.236 2.327 -12.257 1.00 0.00 C ATOM 1005 O GLY A 68 10.178 2.016 -12.807 1.00 0.00 O ATOM 0 H GLY A 68 13.444 3.897 -11.143 1.00 0.00 H new ATOM 0 HA2 GLY A 68 11.185 3.693 -10.611 1.00 0.00 H new ATOM 0 HA3 GLY A 68 10.726 4.402 -12.147 1.00 0.00 H new ATOM 1009 N LEU A 69 12.262 1.491 -12.139 1.00 0.00 N ATOM 1010 CA LEU A 69 12.204 0.130 -12.660 1.00 0.00 C ATOM 1011 C LEU A 69 11.641 -0.830 -11.616 1.00 0.00 C ATOM 1012 O LEU A 69 11.036 -1.846 -11.955 1.00 0.00 O ATOM 1013 CB LEU A 69 13.596 -0.330 -13.095 1.00 0.00 C ATOM 1014 CG LEU A 69 14.610 -0.553 -11.973 1.00 0.00 C ATOM 1015 CD1 LEU A 69 15.427 -1.809 -12.233 1.00 0.00 C ATOM 1016 CD2 LEU A 69 15.521 0.658 -11.829 1.00 0.00 C ATOM 0 H LEU A 69 13.144 1.732 -11.687 1.00 0.00 H new ATOM 0 HA LEU A 69 11.540 0.126 -13.525 1.00 0.00 H new ATOM 0 HB2 LEU A 69 13.491 -1.260 -13.653 1.00 0.00 H new ATOM 0 HB3 LEU A 69 14.003 0.411 -13.783 1.00 0.00 H new ATOM 0 HG LEU A 69 14.065 -0.686 -11.038 1.00 0.00 H new ATOM 0 HD11 LEU A 69 16.143 -1.951 -11.424 1.00 0.00 H new ATOM 0 HD12 LEU A 69 14.762 -2.671 -12.285 1.00 0.00 H new ATOM 0 HD13 LEU A 69 15.962 -1.706 -13.177 1.00 0.00 H new ATOM 0 HD21 LEU A 69 16.236 0.482 -11.026 1.00 0.00 H new ATOM 0 HD22 LEU A 69 16.058 0.823 -12.763 1.00 0.00 H new ATOM 0 HD23 LEU A 69 14.922 1.538 -11.595 1.00 0.00 H new ATOM 1028 N MET A 70 11.844 -0.498 -10.345 1.00 0.00 N ATOM 1029 CA MET A 70 11.354 -1.329 -9.252 1.00 0.00 C ATOM 1030 C MET A 70 10.048 -0.775 -8.691 1.00 0.00 C ATOM 1031 O MET A 70 9.267 -1.501 -8.076 1.00 0.00 O ATOM 1032 CB MET A 70 12.403 -1.418 -8.141 1.00 0.00 C ATOM 1033 CG MET A 70 13.793 -1.772 -8.645 1.00 0.00 C ATOM 1034 SD MET A 70 13.800 -3.239 -9.692 1.00 0.00 S ATOM 1035 CE MET A 70 12.673 -4.302 -8.793 1.00 0.00 C ATOM 0 H MET A 70 12.344 0.340 -10.047 1.00 0.00 H new ATOM 0 HA MET A 70 11.165 -2.328 -9.645 1.00 0.00 H new ATOM 0 HB2 MET A 70 12.448 -0.463 -7.617 1.00 0.00 H new ATOM 0 HB3 MET A 70 12.088 -2.166 -7.414 1.00 0.00 H new ATOM 0 HG2 MET A 70 14.198 -0.929 -9.205 1.00 0.00 H new ATOM 0 HG3 MET A 70 14.453 -1.935 -7.793 1.00 0.00 H new ATOM 0 HE1 MET A 70 13.040 -5.328 -8.821 1.00 0.00 H new ATOM 0 HE2 MET A 70 12.606 -3.969 -7.757 1.00 0.00 H new ATOM 0 HE3 MET A 70 11.686 -4.257 -9.253 1.00 0.00 H new ATOM 1045 N LYS A 71 9.817 0.516 -8.906 1.00 0.00 N ATOM 1046 CA LYS A 71 8.606 1.168 -8.424 1.00 0.00 C ATOM 1047 C LYS A 71 7.463 0.997 -9.419 1.00 0.00 C ATOM 1048 O LYS A 71 6.297 0.914 -9.031 1.00 0.00 O ATOM 1049 CB LYS A 71 8.866 2.656 -8.180 1.00 0.00 C ATOM 1050 CG LYS A 71 9.244 2.981 -6.745 1.00 0.00 C ATOM 1051 CD LYS A 71 10.137 4.208 -6.667 1.00 0.00 C ATOM 1052 CE LYS A 71 9.335 5.491 -6.819 1.00 0.00 C ATOM 1053 NZ LYS A 71 10.183 6.624 -7.284 1.00 0.00 N ATOM 0 H LYS A 71 10.454 1.132 -9.412 1.00 0.00 H new ATOM 0 HA LYS A 71 8.319 0.697 -7.484 1.00 0.00 H new ATOM 0 HB2 LYS A 71 9.665 2.990 -8.842 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.973 3.221 -8.448 1.00 0.00 H new ATOM 0 HG2 LYS A 71 8.340 3.150 -6.159 1.00 0.00 H new ATOM 0 HG3 LYS A 71 9.757 2.128 -6.301 1.00 0.00 H new ATOM 0 HD2 LYS A 71 10.662 4.217 -5.712 1.00 0.00 H new ATOM 0 HD3 LYS A 71 10.896 4.157 -7.448 1.00 0.00 H new ATOM 0 HE2 LYS A 71 8.523 5.330 -7.528 1.00 0.00 H new ATOM 0 HE3 LYS A 71 8.877 5.748 -5.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 9.599 7.480 -7.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 10.943 6.795 -6.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 10.600 6.389 -8.207 1.00 0.00 H new ATOM 1067 N ASP A 72 7.804 0.943 -10.701 1.00 0.00 N ATOM 1068 CA ASP A 72 6.806 0.779 -11.752 1.00 0.00 C ATOM 1069 C ASP A 72 6.678 -0.686 -12.157 1.00 0.00 C ATOM 1070 O ASP A 72 6.331 -0.998 -13.296 1.00 0.00 O ATOM 1071 CB ASP A 72 7.172 1.628 -12.970 1.00 0.00 C ATOM 1072 CG ASP A 72 7.525 3.055 -12.597 1.00 0.00 C ATOM 1073 OD1 ASP A 72 7.122 3.499 -11.501 1.00 0.00 O ATOM 1074 OD2 ASP A 72 8.205 3.727 -13.400 1.00 0.00 O ATOM 0 H ASP A 72 8.764 1.010 -11.038 1.00 0.00 H new ATOM 0 HA ASP A 72 5.845 1.114 -11.361 1.00 0.00 H new ATOM 0 HB2 ASP A 72 8.016 1.171 -13.487 1.00 0.00 H new ATOM 0 HB3 ASP A 72 6.336 1.635 -13.669 1.00 0.00 H new ATOM 1079 N VAL A 73 6.963 -1.581 -11.216 1.00 0.00 N ATOM 1080 CA VAL A 73 6.881 -3.014 -11.475 1.00 0.00 C ATOM 1081 C VAL A 73 6.088 -3.724 -10.384 1.00 0.00 C ATOM 1082 O VAL A 73 5.460 -4.754 -10.629 1.00 0.00 O ATOM 1083 CB VAL A 73 8.281 -3.648 -11.572 1.00 0.00 C ATOM 1084 CG1 VAL A 73 8.670 -4.289 -10.249 1.00 0.00 C ATOM 1085 CG2 VAL A 73 8.327 -4.666 -12.702 1.00 0.00 C ATOM 0 H VAL A 73 7.252 -1.339 -10.268 1.00 0.00 H new ATOM 0 HA VAL A 73 6.369 -3.135 -12.430 1.00 0.00 H new ATOM 0 HB VAL A 73 9.003 -2.862 -11.793 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.662 -4.732 -10.337 1.00 0.00 H new ATOM 0 HG12 VAL A 73 8.679 -3.531 -9.466 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.948 -5.065 -9.994 1.00 0.00 H new ATOM 0 HG21 VAL A 73 9.323 -5.104 -12.756 1.00 0.00 H new ATOM 0 HG22 VAL A 73 7.595 -5.451 -12.514 1.00 0.00 H new ATOM 0 HG23 VAL A 73 8.096 -4.173 -13.646 1.00 0.00 H new ATOM 1095 N ALA A 74 6.120 -3.167 -9.178 1.00 0.00 N ATOM 1096 CA ALA A 74 5.403 -3.746 -8.049 1.00 0.00 C ATOM 1097 C ALA A 74 3.953 -3.272 -8.019 1.00 0.00 C ATOM 1098 O ALA A 74 3.186 -3.642 -7.130 1.00 0.00 O ATOM 1099 CB ALA A 74 6.101 -3.396 -6.744 1.00 0.00 C ATOM 0 H ALA A 74 6.635 -2.315 -8.958 1.00 0.00 H new ATOM 0 HA ALA A 74 5.402 -4.829 -8.168 1.00 0.00 H new ATOM 0 HB1 ALA A 74 5.554 -3.835 -5.910 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.118 -3.789 -6.758 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.132 -2.313 -6.627 1.00 0.00 H new ATOM 1105 N LYS A 75 3.584 -2.451 -8.996 1.00 0.00 N ATOM 1106 CA LYS A 75 2.226 -1.927 -9.083 1.00 0.00 C ATOM 1107 C LYS A 75 1.589 -2.284 -10.422 1.00 0.00 C ATOM 1108 O LYS A 75 0.387 -2.102 -10.617 1.00 0.00 O ATOM 1109 CB LYS A 75 2.232 -0.407 -8.898 1.00 0.00 C ATOM 1110 CG LYS A 75 3.228 0.310 -9.792 1.00 0.00 C ATOM 1111 CD LYS A 75 2.614 0.667 -11.136 1.00 0.00 C ATOM 1112 CE LYS A 75 1.523 1.717 -10.990 1.00 0.00 C ATOM 1113 NZ LYS A 75 1.314 2.480 -12.252 1.00 0.00 N ATOM 0 H LYS A 75 4.207 -2.134 -9.739 1.00 0.00 H new ATOM 0 HA LYS A 75 1.636 -2.382 -8.288 1.00 0.00 H new ATOM 0 HB2 LYS A 75 1.233 -0.021 -9.099 1.00 0.00 H new ATOM 0 HB3 LYS A 75 2.459 -0.177 -7.857 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.575 1.217 -9.297 1.00 0.00 H new ATOM 0 HG3 LYS A 75 4.101 -0.323 -9.947 1.00 0.00 H new ATOM 0 HD2 LYS A 75 3.391 1.038 -11.805 1.00 0.00 H new ATOM 0 HD3 LYS A 75 2.198 -0.229 -11.597 1.00 0.00 H new ATOM 0 HE2 LYS A 75 0.590 1.233 -10.699 1.00 0.00 H new ATOM 0 HE3 LYS A 75 1.788 2.407 -10.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 0.563 3.185 -12.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 2.197 2.962 -12.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 1.036 1.826 -13.011 1.00 0.00 H new ATOM 1127 N VAL A 76 2.402 -2.796 -11.341 1.00 0.00 N ATOM 1128 CA VAL A 76 1.917 -3.182 -12.661 1.00 0.00 C ATOM 1129 C VAL A 76 0.816 -4.231 -12.557 1.00 0.00 C ATOM 1130 O VAL A 76 -0.355 -3.944 -12.804 1.00 0.00 O ATOM 1131 CB VAL A 76 3.056 -3.734 -13.538 1.00 0.00 C ATOM 1132 CG1 VAL A 76 2.496 -4.382 -14.795 1.00 0.00 C ATOM 1133 CG2 VAL A 76 4.040 -2.628 -13.891 1.00 0.00 C ATOM 0 H VAL A 76 3.399 -2.953 -11.196 1.00 0.00 H new ATOM 0 HA VAL A 76 1.514 -2.282 -13.126 1.00 0.00 H new ATOM 0 HB VAL A 76 3.590 -4.497 -12.972 1.00 0.00 H new ATOM 0 HG11 VAL A 76 3.316 -4.766 -15.402 1.00 0.00 H new ATOM 0 HG12 VAL A 76 1.834 -5.203 -14.517 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.936 -3.642 -15.367 1.00 0.00 H new ATOM 0 HG21 VAL A 76 4.838 -3.036 -14.511 1.00 0.00 H new ATOM 0 HG22 VAL A 76 3.522 -1.841 -14.438 1.00 0.00 H new ATOM 0 HG23 VAL A 76 4.466 -2.214 -12.977 1.00 0.00 H new ATOM 1143 N PHE A 77 1.200 -5.449 -12.188 1.00 0.00 N ATOM 1144 CA PHE A 77 0.246 -6.543 -12.051 1.00 0.00 C ATOM 1145 C PHE A 77 -0.866 -6.175 -11.073 1.00 0.00 C ATOM 1146 O PHE A 77 -0.634 -5.473 -10.089 1.00 0.00 O ATOM 1147 CB PHE A 77 0.957 -7.812 -11.578 1.00 0.00 C ATOM 1148 CG PHE A 77 0.027 -8.968 -11.342 1.00 0.00 C ATOM 1149 CD1 PHE A 77 -0.544 -9.644 -12.408 1.00 0.00 C ATOM 1150 CD2 PHE A 77 -0.276 -9.377 -10.054 1.00 0.00 C ATOM 1151 CE1 PHE A 77 -1.400 -10.708 -12.194 1.00 0.00 C ATOM 1152 CE2 PHE A 77 -1.131 -10.441 -9.833 1.00 0.00 C ATOM 1153 CZ PHE A 77 -1.695 -11.106 -10.905 1.00 0.00 C ATOM 0 H PHE A 77 2.165 -5.703 -11.979 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.200 -6.728 -13.028 1.00 0.00 H new ATOM 0 HB2 PHE A 77 1.701 -8.100 -12.321 1.00 0.00 H new ATOM 0 HB3 PHE A 77 1.495 -7.595 -10.655 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -0.318 -9.336 -13.418 1.00 0.00 H new ATOM 0 HD2 PHE A 77 0.160 -8.859 -9.213 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -1.838 -11.227 -13.034 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -1.358 -10.752 -8.824 1.00 0.00 H new ATOM 0 HZ PHE A 77 -2.365 -11.936 -10.735 1.00 0.00 H new