USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 608 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 3 HIS : no HE2:sc= -2.45! C(o=-2.4!,f=-15!) USER MOD Set 1.2: A 81 THR OG1 : rot 54:sc= 0.00786! USER MOD Set 2.1: A 68 SER OG : rot 180:sc= 0.00423 USER MOD Set 2.2: A 71 SER OG : rot -77:sc= 1.11 USER MOD Single : A 1 MET CE :methyl -156:sc= -0.254 (180deg=-1.55!) USER MOD Single : A 1 MET N :NH3+ 179:sc= -0.433 (180deg=-0.434) USER MOD Single : A 2 GLN : amide:sc= -0.145 X(o=-0.15,f=-0.15) USER MOD Single : A 5 SER OG : rot 180:sc= -0.0367 USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 ASN : amide:sc= -0.207 X(o=-0.21,f=-0.17) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0666) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 HIS : no HE2:sc= -2.19 K(o=-2.2,f=-3.7!) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.028 12.583 0.830 1.00 0.00 N ATOM 2 CA MET A 1 0.239 11.543 1.877 1.00 0.00 C ATOM 3 C MET A 1 -0.932 11.562 2.858 1.00 0.00 C ATOM 4 O MET A 1 -0.779 11.282 4.030 1.00 0.00 O ATOM 5 CB MET A 1 1.539 11.833 2.628 1.00 0.00 C ATOM 6 CG MET A 1 2.720 11.664 1.673 1.00 0.00 C ATOM 7 SD MET A 1 4.270 11.777 2.600 1.00 0.00 S ATOM 8 CE MET A 1 4.024 13.449 3.250 1.00 0.00 C ATOM 0 H1 MET A 1 0.833 12.582 0.172 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.847 12.377 0.307 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.050 13.518 1.280 1.00 0.00 H new ATOM 0 HA MET A 1 0.302 10.562 1.407 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.523 12.846 3.029 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.642 11.156 3.476 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.657 10.701 1.167 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.689 12.433 0.901 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.991 13.894 3.486 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.517 14.059 2.502 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.416 13.402 4.153 1.00 0.00 H new ATOM 20 N GLN A 2 -2.101 11.895 2.388 1.00 0.00 N ATOM 21 CA GLN A 2 -3.283 11.937 3.292 1.00 0.00 C ATOM 22 C GLN A 2 -3.492 10.560 3.931 1.00 0.00 C ATOM 23 O GLN A 2 -3.802 10.452 5.101 1.00 0.00 O ATOM 24 CB GLN A 2 -4.526 12.318 2.483 1.00 0.00 C ATOM 25 CG GLN A 2 -5.678 12.639 3.437 1.00 0.00 C ATOM 26 CD GLN A 2 -5.448 14.013 4.068 1.00 0.00 C ATOM 27 OE1 GLN A 2 -5.542 15.024 3.401 1.00 0.00 O ATOM 28 NE2 GLN A 2 -5.144 14.095 5.334 1.00 0.00 N ATOM 0 H GLN A 2 -2.289 12.140 1.416 1.00 0.00 H new ATOM 0 HA GLN A 2 -3.115 12.676 4.075 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -4.312 13.180 1.852 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -4.806 11.499 1.820 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -6.625 12.628 2.897 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -5.745 11.877 4.213 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -5.065 13.247 5.895 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -4.986 15.007 5.762 1.00 0.00 H new ATOM 37 N HIS A 3 -3.325 9.509 3.171 1.00 0.00 N ATOM 38 CA HIS A 3 -3.512 8.137 3.730 1.00 0.00 C ATOM 39 C HIS A 3 -2.266 7.295 3.446 1.00 0.00 C ATOM 40 O HIS A 3 -2.270 6.090 3.603 1.00 0.00 O ATOM 41 CB HIS A 3 -4.729 7.479 3.077 1.00 0.00 C ATOM 42 CG HIS A 3 -5.911 8.404 3.167 1.00 0.00 C ATOM 43 ND1 HIS A 3 -6.354 8.925 4.375 1.00 0.00 N ATOM 44 CD2 HIS A 3 -6.754 8.909 2.210 1.00 0.00 C ATOM 45 CE1 HIS A 3 -7.418 9.705 4.114 1.00 0.00 C ATOM 46 NE2 HIS A 3 -7.701 9.729 2.811 1.00 0.00 N ATOM 0 H HIS A 3 -3.067 9.542 2.185 1.00 0.00 H new ATOM 0 HA HIS A 3 -3.669 8.204 4.807 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -4.514 7.248 2.034 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -4.955 6.535 3.573 1.00 0.00 H new ATOM 0 HD1 HIS A 3 -5.947 8.748 5.293 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -6.691 8.701 1.152 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -7.974 10.245 4.866 1.00 0.00 H new ATOM 55 N ALA A 4 -1.203 7.918 3.019 1.00 0.00 N ATOM 56 CA ALA A 4 0.039 7.152 2.713 1.00 0.00 C ATOM 57 C ALA A 4 0.523 6.415 3.965 1.00 0.00 C ATOM 58 O ALA A 4 1.101 5.351 3.880 1.00 0.00 O ATOM 59 CB ALA A 4 1.128 8.116 2.240 1.00 0.00 C ATOM 0 H ALA A 4 -1.140 8.925 2.868 1.00 0.00 H new ATOM 0 HA ALA A 4 -0.175 6.425 1.930 1.00 0.00 H new ATOM 0 HB1 ALA A 4 2.037 7.557 2.016 1.00 0.00 H new ATOM 0 HB2 ALA A 4 0.790 8.634 1.343 1.00 0.00 H new ATOM 0 HB3 ALA A 4 1.334 8.845 3.024 1.00 0.00 H new ATOM 65 N SER A 5 0.304 6.972 5.125 1.00 0.00 N ATOM 66 CA SER A 5 0.769 6.293 6.366 1.00 0.00 C ATOM 67 C SER A 5 0.131 4.907 6.464 1.00 0.00 C ATOM 68 O SER A 5 0.754 3.956 6.891 1.00 0.00 O ATOM 69 CB SER A 5 0.371 7.126 7.585 1.00 0.00 C ATOM 70 OG SER A 5 -1.043 7.109 7.723 1.00 0.00 O ATOM 0 H SER A 5 -0.174 7.862 5.266 1.00 0.00 H new ATOM 0 HA SER A 5 1.854 6.190 6.335 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.841 6.725 8.483 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.725 8.151 7.471 1.00 0.00 H new ATOM 0 HG SER A 5 -1.302 7.641 8.505 1.00 0.00 H new ATOM 76 N VAL A 6 -1.102 4.780 6.059 1.00 0.00 N ATOM 77 CA VAL A 6 -1.766 3.449 6.118 1.00 0.00 C ATOM 78 C VAL A 6 -1.111 2.521 5.098 1.00 0.00 C ATOM 79 O VAL A 6 -0.950 1.341 5.328 1.00 0.00 O ATOM 80 CB VAL A 6 -3.251 3.597 5.793 1.00 0.00 C ATOM 81 CG1 VAL A 6 -3.890 2.212 5.675 1.00 0.00 C ATOM 82 CG2 VAL A 6 -3.940 4.382 6.913 1.00 0.00 C ATOM 0 H VAL A 6 -1.677 5.538 5.691 1.00 0.00 H new ATOM 0 HA VAL A 6 -1.660 3.032 7.120 1.00 0.00 H new ATOM 0 HB VAL A 6 -3.365 4.130 4.849 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -4.950 2.319 5.443 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -3.399 1.651 4.879 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -3.777 1.678 6.618 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -5.000 4.489 6.683 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -3.825 3.847 7.856 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -3.486 5.369 6.998 1.00 0.00 H new ATOM 92 N ILE A 7 -0.739 3.047 3.964 1.00 0.00 N ATOM 93 CA ILE A 7 -0.098 2.200 2.922 1.00 0.00 C ATOM 94 C ILE A 7 1.196 1.598 3.473 1.00 0.00 C ATOM 95 O ILE A 7 1.418 0.405 3.400 1.00 0.00 O ATOM 96 CB ILE A 7 0.222 3.067 1.704 1.00 0.00 C ATOM 97 CG1 ILE A 7 -1.075 3.686 1.173 1.00 0.00 C ATOM 98 CG2 ILE A 7 0.860 2.203 0.615 1.00 0.00 C ATOM 99 CD1 ILE A 7 -0.755 4.693 0.067 1.00 0.00 C ATOM 0 H ILE A 7 -0.852 4.030 3.714 1.00 0.00 H new ATOM 0 HA ILE A 7 -0.775 1.395 2.636 1.00 0.00 H new ATOM 0 HB ILE A 7 0.916 3.858 1.989 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -1.730 2.905 0.787 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -1.611 4.180 1.983 1.00 0.00 H new ATOM 0 HG21 ILE A 7 1.088 2.821 -0.253 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.780 1.758 0.995 1.00 0.00 H new ATOM 0 HG23 ILE A 7 0.168 1.412 0.326 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -1.681 5.130 -0.307 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.117 5.482 0.466 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.238 4.186 -0.748 1.00 0.00 H new ATOM 111 N ALA A 8 2.048 2.412 4.034 1.00 0.00 N ATOM 112 CA ALA A 8 3.322 1.881 4.597 1.00 0.00 C ATOM 113 C ALA A 8 3.001 0.945 5.759 1.00 0.00 C ATOM 114 O ALA A 8 3.520 -0.149 5.855 1.00 0.00 O ATOM 115 CB ALA A 8 4.183 3.040 5.101 1.00 0.00 C ATOM 0 H ALA A 8 1.918 3.419 4.127 1.00 0.00 H new ATOM 0 HA ALA A 8 3.866 1.338 3.824 1.00 0.00 H new ATOM 0 HB1 ALA A 8 5.114 2.650 5.512 1.00 0.00 H new ATOM 0 HB2 ALA A 8 4.406 3.714 4.274 1.00 0.00 H new ATOM 0 HB3 ALA A 8 3.644 3.584 5.877 1.00 0.00 H new ATOM 121 N GLN A 9 2.142 1.372 6.639 1.00 0.00 N ATOM 122 CA GLN A 9 1.769 0.519 7.799 1.00 0.00 C ATOM 123 C GLN A 9 1.097 -0.753 7.288 1.00 0.00 C ATOM 124 O GLN A 9 1.379 -1.844 7.737 1.00 0.00 O ATOM 125 CB GLN A 9 0.787 1.291 8.686 1.00 0.00 C ATOM 126 CG GLN A 9 0.433 0.460 9.920 1.00 0.00 C ATOM 127 CD GLN A 9 -1.081 0.487 10.130 1.00 0.00 C ATOM 128 OE1 GLN A 9 -1.567 1.091 11.065 1.00 0.00 O ATOM 129 NE2 GLN A 9 -1.852 -0.145 9.287 1.00 0.00 N ATOM 0 H GLN A 9 1.680 2.280 6.604 1.00 0.00 H new ATOM 0 HA GLN A 9 2.658 0.257 8.373 1.00 0.00 H new ATOM 0 HB2 GLN A 9 1.228 2.240 8.991 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -0.117 1.526 8.124 1.00 0.00 H new ATOM 0 HG2 GLN A 9 0.776 -0.567 9.792 1.00 0.00 H new ATOM 0 HG3 GLN A 9 0.941 0.858 10.799 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -1.442 -0.652 8.502 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -2.864 -0.132 9.413 1.00 0.00 H new ATOM 138 N PHE A 10 0.212 -0.612 6.349 1.00 0.00 N ATOM 139 CA PHE A 10 -0.495 -1.796 5.789 1.00 0.00 C ATOM 140 C PHE A 10 0.501 -2.685 5.045 1.00 0.00 C ATOM 141 O PHE A 10 0.499 -3.892 5.181 1.00 0.00 O ATOM 142 CB PHE A 10 -1.578 -1.313 4.823 1.00 0.00 C ATOM 143 CG PHE A 10 -2.422 -2.479 4.373 1.00 0.00 C ATOM 144 CD1 PHE A 10 -3.493 -2.911 5.162 1.00 0.00 C ATOM 145 CD2 PHE A 10 -2.137 -3.124 3.165 1.00 0.00 C ATOM 146 CE1 PHE A 10 -4.282 -3.989 4.743 1.00 0.00 C ATOM 147 CE2 PHE A 10 -2.923 -4.203 2.745 1.00 0.00 C ATOM 148 CZ PHE A 10 -3.996 -4.635 3.534 1.00 0.00 C ATOM 0 H PHE A 10 -0.057 0.282 5.939 1.00 0.00 H new ATOM 0 HA PHE A 10 -0.950 -2.371 6.595 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -2.205 -0.566 5.310 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -1.119 -0.831 3.960 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -3.711 -2.413 6.095 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -1.310 -2.789 2.556 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -5.110 -4.322 5.351 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -2.702 -4.702 1.813 1.00 0.00 H new ATOM 0 HZ PHE A 10 -4.603 -5.467 3.210 1.00 0.00 H new ATOM 158 N VAL A 11 1.345 -2.092 4.248 1.00 0.00 N ATOM 159 CA VAL A 11 2.339 -2.890 3.476 1.00 0.00 C ATOM 160 C VAL A 11 3.354 -3.542 4.419 1.00 0.00 C ATOM 161 O VAL A 11 3.619 -4.722 4.337 1.00 0.00 O ATOM 162 CB VAL A 11 3.075 -1.960 2.511 1.00 0.00 C ATOM 163 CG1 VAL A 11 4.266 -2.696 1.899 1.00 0.00 C ATOM 164 CG2 VAL A 11 2.117 -1.522 1.402 1.00 0.00 C ATOM 0 H VAL A 11 1.390 -1.084 4.097 1.00 0.00 H new ATOM 0 HA VAL A 11 1.818 -3.674 2.927 1.00 0.00 H new ATOM 0 HB VAL A 11 3.433 -1.083 3.051 1.00 0.00 H new ATOM 0 HG11 VAL A 11 4.790 -2.032 1.211 1.00 0.00 H new ATOM 0 HG12 VAL A 11 4.947 -3.008 2.691 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.912 -3.573 1.358 1.00 0.00 H new ATOM 0 HG21 VAL A 11 2.638 -0.859 0.712 1.00 0.00 H new ATOM 0 HG22 VAL A 11 1.760 -2.399 0.862 1.00 0.00 H new ATOM 0 HG23 VAL A 11 1.269 -0.996 1.840 1.00 0.00 H new ATOM 174 N VAL A 12 3.924 -2.779 5.309 1.00 0.00 N ATOM 175 CA VAL A 12 4.930 -3.344 6.256 1.00 0.00 C ATOM 176 C VAL A 12 4.273 -4.382 7.167 1.00 0.00 C ATOM 177 O VAL A 12 4.879 -5.364 7.545 1.00 0.00 O ATOM 178 CB VAL A 12 5.507 -2.217 7.105 1.00 0.00 C ATOM 179 CG1 VAL A 12 6.370 -2.806 8.222 1.00 0.00 C ATOM 180 CG2 VAL A 12 6.367 -1.306 6.225 1.00 0.00 C ATOM 0 H VAL A 12 3.736 -1.783 5.423 1.00 0.00 H new ATOM 0 HA VAL A 12 5.725 -3.826 5.687 1.00 0.00 H new ATOM 0 HB VAL A 12 4.692 -1.640 7.543 1.00 0.00 H new ATOM 0 HG11 VAL A 12 6.782 -1.999 8.828 1.00 0.00 H new ATOM 0 HG12 VAL A 12 5.760 -3.456 8.849 1.00 0.00 H new ATOM 0 HG13 VAL A 12 7.185 -3.384 7.786 1.00 0.00 H new ATOM 0 HG21 VAL A 12 6.780 -0.500 6.831 1.00 0.00 H new ATOM 0 HG22 VAL A 12 7.180 -1.885 5.788 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.753 -0.884 5.429 1.00 0.00 H new ATOM 190 N GLU A 13 3.044 -4.163 7.529 1.00 0.00 N ATOM 191 CA GLU A 13 2.347 -5.126 8.428 1.00 0.00 C ATOM 192 C GLU A 13 2.363 -6.523 7.810 1.00 0.00 C ATOM 193 O GLU A 13 2.439 -7.518 8.501 1.00 0.00 O ATOM 194 CB GLU A 13 0.899 -4.675 8.621 1.00 0.00 C ATOM 195 CG GLU A 13 0.192 -5.601 9.610 1.00 0.00 C ATOM 196 CD GLU A 13 -1.288 -5.224 9.695 1.00 0.00 C ATOM 197 OE1 GLU A 13 -1.687 -4.309 8.994 1.00 0.00 O ATOM 198 OE2 GLU A 13 -1.997 -5.856 10.461 1.00 0.00 O ATOM 0 H GLU A 13 2.488 -3.357 7.242 1.00 0.00 H new ATOM 0 HA GLU A 13 2.859 -5.155 9.390 1.00 0.00 H new ATOM 0 HB2 GLU A 13 0.875 -3.649 8.989 1.00 0.00 H new ATOM 0 HB3 GLU A 13 0.376 -4.683 7.665 1.00 0.00 H new ATOM 0 HG2 GLU A 13 0.296 -6.638 9.291 1.00 0.00 H new ATOM 0 HG3 GLU A 13 0.655 -5.522 10.593 1.00 0.00 H new ATOM 205 N GLU A 14 2.279 -6.605 6.516 1.00 0.00 N ATOM 206 CA GLU A 14 2.278 -7.938 5.853 1.00 0.00 C ATOM 207 C GLU A 14 3.632 -8.631 6.033 1.00 0.00 C ATOM 208 O GLU A 14 3.710 -9.843 6.067 1.00 0.00 O ATOM 209 CB GLU A 14 1.995 -7.760 4.360 1.00 0.00 C ATOM 210 CG GLU A 14 0.582 -7.203 4.171 1.00 0.00 C ATOM 211 CD GLU A 14 0.274 -7.089 2.677 1.00 0.00 C ATOM 212 OE1 GLU A 14 1.187 -7.273 1.888 1.00 0.00 O ATOM 213 OE2 GLU A 14 -0.869 -6.819 2.347 1.00 0.00 O ATOM 0 H GLU A 14 2.211 -5.806 5.885 1.00 0.00 H new ATOM 0 HA GLU A 14 1.505 -8.556 6.309 1.00 0.00 H new ATOM 0 HB2 GLU A 14 2.726 -7.083 3.919 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.093 -8.715 3.844 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -0.145 -7.855 4.654 1.00 0.00 H new ATOM 0 HG3 GLU A 14 0.498 -6.226 4.646 1.00 0.00 H new ATOM 220 N PHE A 15 4.701 -7.882 6.121 1.00 0.00 N ATOM 221 CA PHE A 15 6.046 -8.520 6.262 1.00 0.00 C ATOM 222 C PHE A 15 6.626 -8.294 7.663 1.00 0.00 C ATOM 223 O PHE A 15 6.961 -9.236 8.354 1.00 0.00 O ATOM 224 CB PHE A 15 6.994 -7.920 5.224 1.00 0.00 C ATOM 225 CG PHE A 15 6.324 -7.953 3.875 1.00 0.00 C ATOM 226 CD1 PHE A 15 5.566 -6.857 3.459 1.00 0.00 C ATOM 227 CD2 PHE A 15 6.448 -9.076 3.050 1.00 0.00 C ATOM 228 CE1 PHE A 15 4.930 -6.877 2.215 1.00 0.00 C ATOM 229 CE2 PHE A 15 5.812 -9.098 1.803 1.00 0.00 C ATOM 230 CZ PHE A 15 5.052 -7.999 1.385 1.00 0.00 C ATOM 0 H PHE A 15 4.702 -6.862 6.102 1.00 0.00 H new ATOM 0 HA PHE A 15 5.936 -9.593 6.106 1.00 0.00 H new ATOM 0 HB2 PHE A 15 7.248 -6.895 5.494 1.00 0.00 H new ATOM 0 HB3 PHE A 15 7.927 -8.483 5.195 1.00 0.00 H new ATOM 0 HD1 PHE A 15 5.471 -5.993 4.099 1.00 0.00 H new ATOM 0 HD2 PHE A 15 7.033 -9.924 3.374 1.00 0.00 H new ATOM 0 HE1 PHE A 15 4.345 -6.028 1.894 1.00 0.00 H new ATOM 0 HE2 PHE A 15 5.908 -9.963 1.163 1.00 0.00 H new ATOM 0 HZ PHE A 15 4.560 -8.016 0.424 1.00 0.00 H new ATOM 240 N LEU A 16 6.782 -7.060 8.078 1.00 0.00 N ATOM 241 CA LEU A 16 7.383 -6.799 9.423 1.00 0.00 C ATOM 242 C LEU A 16 6.450 -5.949 10.297 1.00 0.00 C ATOM 243 O LEU A 16 6.575 -4.742 10.360 1.00 0.00 O ATOM 244 CB LEU A 16 8.702 -6.047 9.224 1.00 0.00 C ATOM 245 CG LEU A 16 9.880 -6.981 9.515 1.00 0.00 C ATOM 246 CD1 LEU A 16 9.862 -7.388 10.989 1.00 0.00 C ATOM 247 CD2 LEU A 16 9.770 -8.231 8.638 1.00 0.00 C ATOM 0 H LEU A 16 6.521 -6.228 7.548 1.00 0.00 H new ATOM 0 HA LEU A 16 7.545 -7.752 9.926 1.00 0.00 H new ATOM 0 HB2 LEU A 16 8.767 -5.672 8.203 1.00 0.00 H new ATOM 0 HB3 LEU A 16 8.741 -5.181 9.885 1.00 0.00 H new ATOM 0 HG LEU A 16 10.814 -6.464 9.295 1.00 0.00 H new ATOM 0 HD11 LEU A 16 10.701 -8.053 11.193 1.00 0.00 H new ATOM 0 HD12 LEU A 16 9.944 -6.498 11.613 1.00 0.00 H new ATOM 0 HD13 LEU A 16 8.928 -7.904 11.213 1.00 0.00 H new ATOM 0 HD21 LEU A 16 10.609 -8.896 8.845 1.00 0.00 H new ATOM 0 HD22 LEU A 16 8.835 -8.747 8.856 1.00 0.00 H new ATOM 0 HD23 LEU A 16 9.788 -7.941 7.587 1.00 0.00 H new ATOM 259 N PRO A 17 5.547 -6.581 11.001 1.00 0.00 N ATOM 260 CA PRO A 17 4.613 -5.895 11.924 1.00 0.00 C ATOM 261 C PRO A 17 5.185 -5.792 13.343 1.00 0.00 C ATOM 262 O PRO A 17 4.748 -4.989 14.143 1.00 0.00 O ATOM 263 CB PRO A 17 3.377 -6.794 11.921 1.00 0.00 C ATOM 264 CG PRO A 17 3.809 -8.119 11.363 1.00 0.00 C ATOM 265 CD PRO A 17 5.293 -8.019 10.988 1.00 0.00 C ATOM 0 HA PRO A 17 4.410 -4.871 11.611 1.00 0.00 H new ATOM 0 HB2 PRO A 17 2.980 -6.910 12.930 1.00 0.00 H new ATOM 0 HB3 PRO A 17 2.583 -6.359 11.314 1.00 0.00 H new ATOM 0 HG2 PRO A 17 3.655 -8.909 12.097 1.00 0.00 H new ATOM 0 HG3 PRO A 17 3.212 -8.376 10.488 1.00 0.00 H new ATOM 0 HD2 PRO A 17 5.925 -8.546 11.703 1.00 0.00 H new ATOM 0 HD3 PRO A 17 5.490 -8.453 10.008 1.00 0.00 H new ATOM 273 N ASP A 18 6.160 -6.605 13.661 1.00 0.00 N ATOM 274 CA ASP A 18 6.758 -6.560 15.024 1.00 0.00 C ATOM 275 C ASP A 18 7.677 -5.346 15.126 1.00 0.00 C ATOM 276 O ASP A 18 8.214 -5.041 16.172 1.00 0.00 O ATOM 277 CB ASP A 18 7.562 -7.835 15.261 1.00 0.00 C ATOM 278 CG ASP A 18 6.614 -9.034 15.329 1.00 0.00 C ATOM 279 OD1 ASP A 18 5.418 -8.814 15.420 1.00 0.00 O ATOM 280 OD2 ASP A 18 7.101 -10.152 15.289 1.00 0.00 O ATOM 0 H ASP A 18 6.566 -7.298 13.033 1.00 0.00 H new ATOM 0 HA ASP A 18 5.971 -6.484 15.774 1.00 0.00 H new ATOM 0 HB2 ASP A 18 8.285 -7.975 14.458 1.00 0.00 H new ATOM 0 HB3 ASP A 18 8.128 -7.753 16.189 1.00 0.00 H new ATOM 285 N VAL A 19 7.843 -4.643 14.042 1.00 0.00 N ATOM 286 CA VAL A 19 8.704 -3.431 14.047 1.00 0.00 C ATOM 287 C VAL A 19 7.807 -2.218 13.819 1.00 0.00 C ATOM 288 O VAL A 19 6.842 -2.289 13.085 1.00 0.00 O ATOM 289 CB VAL A 19 9.736 -3.527 12.922 1.00 0.00 C ATOM 290 CG1 VAL A 19 10.687 -2.331 12.997 1.00 0.00 C ATOM 291 CG2 VAL A 19 10.537 -4.823 13.076 1.00 0.00 C ATOM 0 H VAL A 19 7.413 -4.860 13.143 1.00 0.00 H new ATOM 0 HA VAL A 19 9.231 -3.342 14.997 1.00 0.00 H new ATOM 0 HB VAL A 19 9.225 -3.525 11.959 1.00 0.00 H new ATOM 0 HG11 VAL A 19 11.422 -2.400 12.195 1.00 0.00 H new ATOM 0 HG12 VAL A 19 10.119 -1.407 12.890 1.00 0.00 H new ATOM 0 HG13 VAL A 19 11.199 -2.333 13.959 1.00 0.00 H new ATOM 0 HG21 VAL A 19 11.273 -4.893 12.275 1.00 0.00 H new ATOM 0 HG22 VAL A 19 11.048 -4.823 14.039 1.00 0.00 H new ATOM 0 HG23 VAL A 19 9.861 -5.677 13.024 1.00 0.00 H new ATOM 301 N ALA A 20 8.090 -1.109 14.441 1.00 0.00 N ATOM 302 CA ALA A 20 7.212 0.072 14.239 1.00 0.00 C ATOM 303 C ALA A 20 7.237 0.451 12.750 1.00 0.00 C ATOM 304 O ALA A 20 8.267 0.832 12.230 1.00 0.00 O ATOM 305 CB ALA A 20 7.747 1.243 15.067 1.00 0.00 C ATOM 0 H ALA A 20 8.880 -0.971 15.072 1.00 0.00 H new ATOM 0 HA ALA A 20 6.193 -0.159 14.550 1.00 0.00 H new ATOM 0 HB1 ALA A 20 7.107 2.113 14.923 1.00 0.00 H new ATOM 0 HB2 ALA A 20 7.755 0.969 16.122 1.00 0.00 H new ATOM 0 HB3 ALA A 20 8.761 1.482 14.747 1.00 0.00 H new ATOM 311 N PRO A 21 6.121 0.354 12.058 1.00 0.00 N ATOM 312 CA PRO A 21 6.070 0.704 10.615 1.00 0.00 C ATOM 313 C PRO A 21 6.382 2.184 10.379 1.00 0.00 C ATOM 314 O PRO A 21 6.851 2.572 9.327 1.00 0.00 O ATOM 315 CB PRO A 21 4.644 0.371 10.162 1.00 0.00 C ATOM 316 CG PRO A 21 3.881 -0.095 11.362 1.00 0.00 C ATOM 317 CD PRO A 21 4.816 -0.093 12.571 1.00 0.00 C ATOM 0 HA PRO A 21 6.819 0.148 10.051 1.00 0.00 H new ATOM 0 HB2 PRO A 21 4.168 1.248 9.723 1.00 0.00 H new ATOM 0 HB3 PRO A 21 4.658 -0.402 9.394 1.00 0.00 H new ATOM 0 HG2 PRO A 21 3.028 0.558 11.544 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.485 -1.096 11.192 1.00 0.00 H new ATOM 0 HD2 PRO A 21 4.450 0.577 13.349 1.00 0.00 H new ATOM 0 HD3 PRO A 21 4.888 -1.087 13.013 1.00 0.00 H new ATOM 325 N ALA A 22 6.136 3.012 11.358 1.00 0.00 N ATOM 326 CA ALA A 22 6.426 4.466 11.204 1.00 0.00 C ATOM 327 C ALA A 22 7.942 4.680 11.199 1.00 0.00 C ATOM 328 O ALA A 22 8.431 5.726 10.825 1.00 0.00 O ATOM 329 CB ALA A 22 5.804 5.237 12.369 1.00 0.00 C ATOM 0 H ALA A 22 5.745 2.743 12.261 1.00 0.00 H new ATOM 0 HA ALA A 22 6.003 4.827 10.266 1.00 0.00 H new ATOM 0 HB1 ALA A 22 6.016 6.300 12.256 1.00 0.00 H new ATOM 0 HB2 ALA A 22 4.725 5.081 12.374 1.00 0.00 H new ATOM 0 HB3 ALA A 22 6.227 4.880 13.308 1.00 0.00 H new ATOM 335 N ASP A 23 8.686 3.693 11.615 1.00 0.00 N ATOM 336 CA ASP A 23 10.170 3.829 11.641 1.00 0.00 C ATOM 337 C ASP A 23 10.737 3.388 10.294 1.00 0.00 C ATOM 338 O ASP A 23 11.934 3.272 10.120 1.00 0.00 O ATOM 339 CB ASP A 23 10.746 2.950 12.753 1.00 0.00 C ATOM 340 CG ASP A 23 10.319 3.503 14.114 1.00 0.00 C ATOM 341 OD1 ASP A 23 9.823 4.617 14.149 1.00 0.00 O ATOM 342 OD2 ASP A 23 10.494 2.803 15.097 1.00 0.00 O ATOM 0 H ASP A 23 8.329 2.794 11.939 1.00 0.00 H new ATOM 0 HA ASP A 23 10.440 4.868 11.829 1.00 0.00 H new ATOM 0 HB2 ASP A 23 10.395 1.924 12.639 1.00 0.00 H new ATOM 0 HB3 ASP A 23 11.834 2.924 12.684 1.00 0.00 H new ATOM 347 N VAL A 24 9.885 3.149 9.337 1.00 0.00 N ATOM 348 CA VAL A 24 10.370 2.722 7.999 1.00 0.00 C ATOM 349 C VAL A 24 10.526 3.961 7.120 1.00 0.00 C ATOM 350 O VAL A 24 9.695 4.846 7.126 1.00 0.00 O ATOM 351 CB VAL A 24 9.357 1.768 7.365 1.00 0.00 C ATOM 352 CG1 VAL A 24 9.897 1.265 6.025 1.00 0.00 C ATOM 353 CG2 VAL A 24 9.125 0.577 8.299 1.00 0.00 C ATOM 0 H VAL A 24 8.872 3.232 9.426 1.00 0.00 H new ATOM 0 HA VAL A 24 11.327 2.209 8.096 1.00 0.00 H new ATOM 0 HB VAL A 24 8.416 2.294 7.203 1.00 0.00 H new ATOM 0 HG11 VAL A 24 9.174 0.585 5.574 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.064 2.112 5.359 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.838 0.739 6.186 1.00 0.00 H new ATOM 0 HG21 VAL A 24 8.403 -0.104 7.848 1.00 0.00 H new ATOM 0 HG22 VAL A 24 10.067 0.052 8.460 1.00 0.00 H new ATOM 0 HG23 VAL A 24 8.740 0.933 9.254 1.00 0.00 H new ATOM 363 N ASP A 25 11.590 4.041 6.373 1.00 0.00 N ATOM 364 CA ASP A 25 11.795 5.234 5.511 1.00 0.00 C ATOM 365 C ASP A 25 10.695 5.295 4.451 1.00 0.00 C ATOM 366 O ASP A 25 10.861 4.828 3.342 1.00 0.00 O ATOM 367 CB ASP A 25 13.159 5.138 4.824 1.00 0.00 C ATOM 368 CG ASP A 25 14.268 5.243 5.874 1.00 0.00 C ATOM 369 OD1 ASP A 25 13.961 5.613 6.996 1.00 0.00 O ATOM 370 OD2 ASP A 25 15.403 4.951 5.538 1.00 0.00 O ATOM 0 H ASP A 25 12.324 3.334 6.323 1.00 0.00 H new ATOM 0 HA ASP A 25 11.758 6.134 6.124 1.00 0.00 H new ATOM 0 HB2 ASP A 25 13.241 4.194 4.286 1.00 0.00 H new ATOM 0 HB3 ASP A 25 13.264 5.935 4.088 1.00 0.00 H new ATOM 375 N VAL A 26 9.573 5.874 4.782 1.00 0.00 N ATOM 376 CA VAL A 26 8.465 5.972 3.795 1.00 0.00 C ATOM 377 C VAL A 26 8.938 6.753 2.564 1.00 0.00 C ATOM 378 O VAL A 26 8.172 7.032 1.662 1.00 0.00 O ATOM 379 CB VAL A 26 7.292 6.700 4.448 1.00 0.00 C ATOM 380 CG1 VAL A 26 7.794 7.988 5.105 1.00 0.00 C ATOM 381 CG2 VAL A 26 6.254 7.048 3.386 1.00 0.00 C ATOM 0 H VAL A 26 9.377 6.284 5.695 1.00 0.00 H new ATOM 0 HA VAL A 26 8.155 4.975 3.483 1.00 0.00 H new ATOM 0 HB VAL A 26 6.841 6.056 5.203 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.958 8.508 5.571 1.00 0.00 H new ATOM 0 HG12 VAL A 26 8.538 7.744 5.863 1.00 0.00 H new ATOM 0 HG13 VAL A 26 8.245 8.630 4.349 1.00 0.00 H new ATOM 0 HG21 VAL A 26 5.417 7.568 3.852 1.00 0.00 H new ATOM 0 HG22 VAL A 26 6.707 7.692 2.632 1.00 0.00 H new ATOM 0 HG23 VAL A 26 5.896 6.133 2.914 1.00 0.00 H new ATOM 391 N ASP A 27 10.197 7.093 2.508 1.00 0.00 N ATOM 392 CA ASP A 27 10.717 7.838 1.328 1.00 0.00 C ATOM 393 C ASP A 27 11.465 6.861 0.419 1.00 0.00 C ATOM 394 O ASP A 27 12.086 7.246 -0.551 1.00 0.00 O ATOM 395 CB ASP A 27 11.674 8.938 1.796 1.00 0.00 C ATOM 396 CG ASP A 27 10.896 9.988 2.589 1.00 0.00 C ATOM 397 OD1 ASP A 27 9.678 9.963 2.533 1.00 0.00 O ATOM 398 OD2 ASP A 27 11.533 10.801 3.240 1.00 0.00 O ATOM 0 H ASP A 27 10.888 6.886 3.229 1.00 0.00 H new ATOM 0 HA ASP A 27 9.890 8.293 0.783 1.00 0.00 H new ATOM 0 HB2 ASP A 27 12.462 8.510 2.415 1.00 0.00 H new ATOM 0 HB3 ASP A 27 12.160 9.402 0.937 1.00 0.00 H new ATOM 403 N LEU A 28 11.410 5.596 0.736 1.00 0.00 N ATOM 404 CA LEU A 28 12.114 4.580 -0.094 1.00 0.00 C ATOM 405 C LEU A 28 11.115 3.898 -1.024 1.00 0.00 C ATOM 406 O LEU A 28 10.049 3.487 -0.611 1.00 0.00 O ATOM 407 CB LEU A 28 12.746 3.529 0.823 1.00 0.00 C ATOM 408 CG LEU A 28 13.586 2.544 -0.001 1.00 0.00 C ATOM 409 CD1 LEU A 28 14.941 3.171 -0.345 1.00 0.00 C ATOM 410 CD2 LEU A 28 13.810 1.267 0.813 1.00 0.00 C ATOM 0 H LEU A 28 10.905 5.222 1.539 1.00 0.00 H new ATOM 0 HA LEU A 28 12.888 5.068 -0.686 1.00 0.00 H new ATOM 0 HB2 LEU A 28 13.373 4.017 1.570 1.00 0.00 H new ATOM 0 HB3 LEU A 28 11.967 2.991 1.363 1.00 0.00 H new ATOM 0 HG LEU A 28 13.057 2.307 -0.924 1.00 0.00 H new ATOM 0 HD11 LEU A 28 15.531 2.465 -0.930 1.00 0.00 H new ATOM 0 HD12 LEU A 28 14.784 4.081 -0.925 1.00 0.00 H new ATOM 0 HD13 LEU A 28 15.473 3.414 0.575 1.00 0.00 H new ATOM 0 HD21 LEU A 28 14.406 0.564 0.231 1.00 0.00 H new ATOM 0 HD22 LEU A 28 14.336 1.511 1.736 1.00 0.00 H new ATOM 0 HD23 LEU A 28 12.848 0.815 1.052 1.00 0.00 H new ATOM 422 N ASP A 29 11.453 3.761 -2.274 1.00 0.00 N ATOM 423 CA ASP A 29 10.521 3.090 -3.214 1.00 0.00 C ATOM 424 C ASP A 29 10.406 1.621 -2.810 1.00 0.00 C ATOM 425 O ASP A 29 11.388 0.909 -2.744 1.00 0.00 O ATOM 426 CB ASP A 29 11.068 3.193 -4.640 1.00 0.00 C ATOM 427 CG ASP A 29 11.053 4.655 -5.088 1.00 0.00 C ATOM 428 OD1 ASP A 29 10.428 5.456 -4.412 1.00 0.00 O ATOM 429 OD2 ASP A 29 11.668 4.951 -6.099 1.00 0.00 O ATOM 0 H ASP A 29 12.330 4.083 -2.682 1.00 0.00 H new ATOM 0 HA ASP A 29 9.541 3.566 -3.178 1.00 0.00 H new ATOM 0 HB2 ASP A 29 12.084 2.800 -4.680 1.00 0.00 H new ATOM 0 HB3 ASP A 29 10.465 2.588 -5.317 1.00 0.00 H new ATOM 434 N LEU A 30 9.221 1.164 -2.520 1.00 0.00 N ATOM 435 CA LEU A 30 9.063 -0.256 -2.101 1.00 0.00 C ATOM 436 C LEU A 30 9.315 -1.182 -3.291 1.00 0.00 C ATOM 437 O LEU A 30 9.041 -2.364 -3.232 1.00 0.00 O ATOM 438 CB LEU A 30 7.649 -0.497 -1.561 1.00 0.00 C ATOM 439 CG LEU A 30 6.807 0.770 -1.700 1.00 0.00 C ATOM 440 CD1 LEU A 30 6.598 1.092 -3.181 1.00 0.00 C ATOM 441 CD2 LEU A 30 5.446 0.539 -1.037 1.00 0.00 C ATOM 0 H LEU A 30 8.359 1.708 -2.554 1.00 0.00 H new ATOM 0 HA LEU A 30 9.787 -0.468 -1.315 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.179 -1.316 -2.105 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.698 -0.797 -0.514 1.00 0.00 H new ATOM 0 HG LEU A 30 7.320 1.603 -1.219 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.997 1.996 -3.275 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.565 1.247 -3.660 1.00 0.00 H new ATOM 0 HD13 LEU A 30 6.083 0.262 -3.665 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.838 1.439 -1.131 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.940 -0.294 -1.525 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.590 0.307 0.018 1.00 0.00 H new ATOM 453 N VAL A 31 9.837 -0.668 -4.373 1.00 0.00 N ATOM 454 CA VAL A 31 10.099 -1.544 -5.544 1.00 0.00 C ATOM 455 C VAL A 31 10.916 -2.742 -5.078 1.00 0.00 C ATOM 456 O VAL A 31 10.635 -3.873 -5.421 1.00 0.00 O ATOM 457 CB VAL A 31 10.880 -0.766 -6.599 1.00 0.00 C ATOM 458 CG1 VAL A 31 10.055 0.435 -7.056 1.00 0.00 C ATOM 459 CG2 VAL A 31 12.201 -0.278 -6.000 1.00 0.00 C ATOM 0 H VAL A 31 10.090 0.313 -4.493 1.00 0.00 H new ATOM 0 HA VAL A 31 9.158 -1.882 -5.979 1.00 0.00 H new ATOM 0 HB VAL A 31 11.085 -1.414 -7.451 1.00 0.00 H new ATOM 0 HG11 VAL A 31 10.611 0.993 -7.810 1.00 0.00 H new ATOM 0 HG12 VAL A 31 9.113 0.089 -7.482 1.00 0.00 H new ATOM 0 HG13 VAL A 31 9.851 1.082 -6.203 1.00 0.00 H new ATOM 0 HG21 VAL A 31 12.759 0.278 -6.754 1.00 0.00 H new ATOM 0 HG22 VAL A 31 11.997 0.371 -5.148 1.00 0.00 H new ATOM 0 HG23 VAL A 31 12.790 -1.134 -5.671 1.00 0.00 H new ATOM 469 N ASP A 32 11.908 -2.504 -4.271 1.00 0.00 N ATOM 470 CA ASP A 32 12.722 -3.635 -3.751 1.00 0.00 C ATOM 471 C ASP A 32 11.770 -4.600 -3.051 1.00 0.00 C ATOM 472 O ASP A 32 11.928 -5.805 -3.098 1.00 0.00 O ATOM 473 CB ASP A 32 13.756 -3.111 -2.752 1.00 0.00 C ATOM 474 CG ASP A 32 14.783 -2.247 -3.486 1.00 0.00 C ATOM 475 OD1 ASP A 32 14.792 -2.279 -4.704 1.00 0.00 O ATOM 476 OD2 ASP A 32 15.542 -1.566 -2.815 1.00 0.00 O ATOM 0 H ASP A 32 12.191 -1.578 -3.949 1.00 0.00 H new ATOM 0 HA ASP A 32 13.250 -4.136 -4.563 1.00 0.00 H new ATOM 0 HB2 ASP A 32 13.263 -2.527 -1.975 1.00 0.00 H new ATOM 0 HB3 ASP A 32 14.254 -3.945 -2.257 1.00 0.00 H new ATOM 481 N ASN A 33 10.765 -4.063 -2.417 1.00 0.00 N ATOM 482 CA ASN A 33 9.762 -4.910 -1.721 1.00 0.00 C ATOM 483 C ASN A 33 8.729 -5.375 -2.743 1.00 0.00 C ATOM 484 O ASN A 33 7.659 -5.836 -2.397 1.00 0.00 O ATOM 485 CB ASN A 33 9.073 -4.098 -0.631 1.00 0.00 C ATOM 486 CG ASN A 33 10.122 -3.573 0.347 1.00 0.00 C ATOM 487 OD1 ASN A 33 10.956 -4.319 0.823 1.00 0.00 O ATOM 488 ND2 ASN A 33 10.121 -2.310 0.658 1.00 0.00 N ATOM 0 H ASN A 33 10.596 -3.059 -2.352 1.00 0.00 H new ATOM 0 HA ASN A 33 10.252 -5.770 -1.265 1.00 0.00 H new ATOM 0 HB2 ASN A 33 8.523 -3.267 -1.073 1.00 0.00 H new ATOM 0 HB3 ASN A 33 8.346 -4.717 -0.105 1.00 0.00 H new ATOM 0 HD21 ASN A 33 10.821 -1.943 1.303 1.00 0.00 H new ATOM 0 HD22 ASN A 33 9.420 -1.687 0.257 1.00 0.00 H new ATOM 495 N GLY A 34 9.047 -5.241 -4.004 1.00 0.00 N ATOM 496 CA GLY A 34 8.104 -5.662 -5.078 1.00 0.00 C ATOM 497 C GLY A 34 7.470 -7.001 -4.707 1.00 0.00 C ATOM 498 O GLY A 34 6.493 -7.419 -5.290 1.00 0.00 O ATOM 0 H GLY A 34 9.930 -4.853 -4.337 1.00 0.00 H new ATOM 0 HA2 GLY A 34 7.330 -4.907 -5.213 1.00 0.00 H new ATOM 0 HA3 GLY A 34 8.633 -5.749 -6.027 1.00 0.00 H new ATOM 502 N VAL A 35 8.012 -7.676 -3.736 1.00 0.00 N ATOM 503 CA VAL A 35 7.423 -8.983 -3.336 1.00 0.00 C ATOM 504 C VAL A 35 5.921 -8.793 -3.119 1.00 0.00 C ATOM 505 O VAL A 35 5.120 -9.648 -3.441 1.00 0.00 O ATOM 506 CB VAL A 35 8.072 -9.458 -2.034 1.00 0.00 C ATOM 507 CG1 VAL A 35 7.285 -10.642 -1.470 1.00 0.00 C ATOM 508 CG2 VAL A 35 9.514 -9.891 -2.311 1.00 0.00 C ATOM 0 H VAL A 35 8.832 -7.383 -3.204 1.00 0.00 H new ATOM 0 HA VAL A 35 7.597 -9.726 -4.114 1.00 0.00 H new ATOM 0 HB VAL A 35 8.068 -8.643 -1.310 1.00 0.00 H new ATOM 0 HG11 VAL A 35 7.749 -10.979 -0.543 1.00 0.00 H new ATOM 0 HG12 VAL A 35 6.258 -10.335 -1.271 1.00 0.00 H new ATOM 0 HG13 VAL A 35 7.286 -11.457 -2.193 1.00 0.00 H new ATOM 0 HG21 VAL A 35 9.977 -10.229 -1.384 1.00 0.00 H new ATOM 0 HG22 VAL A 35 9.517 -10.705 -3.036 1.00 0.00 H new ATOM 0 HG23 VAL A 35 10.077 -9.047 -2.711 1.00 0.00 H new ATOM 518 N ILE A 36 5.537 -7.670 -2.578 1.00 0.00 N ATOM 519 CA ILE A 36 4.090 -7.404 -2.339 1.00 0.00 C ATOM 520 C ILE A 36 3.377 -7.180 -3.673 1.00 0.00 C ATOM 521 O ILE A 36 2.184 -7.348 -3.787 1.00 0.00 O ATOM 522 CB ILE A 36 3.948 -6.136 -1.500 1.00 0.00 C ATOM 523 CG1 ILE A 36 2.604 -6.153 -0.776 1.00 0.00 C ATOM 524 CG2 ILE A 36 4.010 -4.916 -2.421 1.00 0.00 C ATOM 525 CD1 ILE A 36 2.416 -4.846 -0.005 1.00 0.00 C ATOM 0 H ILE A 36 6.166 -6.921 -2.290 1.00 0.00 H new ATOM 0 HA ILE A 36 3.650 -8.257 -1.822 1.00 0.00 H new ATOM 0 HB ILE A 36 4.755 -6.088 -0.768 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.795 -6.282 -1.495 1.00 0.00 H new ATOM 0 HG13 ILE A 36 2.560 -7.000 -0.091 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.909 -4.007 -1.828 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.966 -4.904 -2.945 1.00 0.00 H new ATOM 0 HG23 ILE A 36 3.199 -4.967 -3.148 1.00 0.00 H new ATOM 0 HD11 ILE A 36 1.456 -4.862 0.510 1.00 0.00 H new ATOM 0 HD12 ILE A 36 3.218 -4.736 0.725 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.441 -4.007 -0.700 1.00 0.00 H new ATOM 537 N ASP A 37 4.097 -6.768 -4.675 1.00 0.00 N ATOM 538 CA ASP A 37 3.458 -6.496 -5.996 1.00 0.00 C ATOM 539 C ASP A 37 2.819 -7.765 -6.571 1.00 0.00 C ATOM 540 O ASP A 37 1.843 -7.693 -7.291 1.00 0.00 O ATOM 541 CB ASP A 37 4.505 -5.972 -6.982 1.00 0.00 C ATOM 542 CG ASP A 37 5.048 -4.631 -6.486 1.00 0.00 C ATOM 543 OD1 ASP A 37 4.425 -4.047 -5.615 1.00 0.00 O ATOM 544 OD2 ASP A 37 6.078 -4.209 -6.986 1.00 0.00 O ATOM 0 H ASP A 37 5.103 -6.606 -4.639 1.00 0.00 H new ATOM 0 HA ASP A 37 2.679 -5.748 -5.846 1.00 0.00 H new ATOM 0 HB2 ASP A 37 5.318 -6.691 -7.081 1.00 0.00 H new ATOM 0 HB3 ASP A 37 4.062 -5.853 -7.971 1.00 0.00 H new ATOM 549 N SER A 38 3.368 -8.919 -6.297 1.00 0.00 N ATOM 550 CA SER A 38 2.783 -10.165 -6.874 1.00 0.00 C ATOM 551 C SER A 38 2.020 -10.969 -5.816 1.00 0.00 C ATOM 552 O SER A 38 0.823 -11.155 -5.913 1.00 0.00 O ATOM 553 CB SER A 38 3.911 -11.027 -7.442 1.00 0.00 C ATOM 554 OG SER A 38 4.607 -10.286 -8.449 1.00 0.00 O ATOM 0 H SER A 38 4.188 -9.053 -5.705 1.00 0.00 H new ATOM 0 HA SER A 38 2.081 -9.883 -7.658 1.00 0.00 H new ATOM 0 HB2 SER A 38 4.598 -11.318 -6.647 1.00 0.00 H new ATOM 0 HB3 SER A 38 3.505 -11.946 -7.865 1.00 0.00 H new ATOM 0 HG SER A 38 5.333 -10.834 -8.815 1.00 0.00 H new ATOM 559 N LEU A 39 2.702 -11.476 -4.829 1.00 0.00 N ATOM 560 CA LEU A 39 2.012 -12.299 -3.794 1.00 0.00 C ATOM 561 C LEU A 39 1.155 -11.424 -2.882 1.00 0.00 C ATOM 562 O LEU A 39 -0.016 -11.680 -2.682 1.00 0.00 O ATOM 563 CB LEU A 39 3.058 -13.038 -2.959 1.00 0.00 C ATOM 564 CG LEU A 39 2.372 -14.041 -2.025 1.00 0.00 C ATOM 565 CD1 LEU A 39 3.214 -15.315 -1.941 1.00 0.00 C ATOM 566 CD2 LEU A 39 2.240 -13.432 -0.625 1.00 0.00 C ATOM 0 H LEU A 39 3.706 -11.358 -4.693 1.00 0.00 H new ATOM 0 HA LEU A 39 1.359 -13.014 -4.295 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.757 -13.558 -3.614 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.639 -12.324 -2.375 1.00 0.00 H new ATOM 0 HG LEU A 39 1.382 -14.279 -2.415 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.728 -16.030 -1.277 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.313 -15.752 -2.935 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.203 -15.073 -1.551 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.752 -14.146 0.038 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.230 -13.194 -0.237 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.644 -12.521 -0.679 1.00 0.00 H new ATOM 578 N GLY A 40 1.725 -10.401 -2.321 1.00 0.00 N ATOM 579 CA GLY A 40 0.940 -9.518 -1.415 1.00 0.00 C ATOM 580 C GLY A 40 -0.141 -8.793 -2.212 1.00 0.00 C ATOM 581 O GLY A 40 -1.239 -8.577 -1.740 1.00 0.00 O ATOM 0 H GLY A 40 2.701 -10.135 -2.449 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.485 -10.109 -0.620 1.00 0.00 H new ATOM 0 HA3 GLY A 40 1.599 -8.794 -0.936 1.00 0.00 H new ATOM 585 N LEU A 41 0.168 -8.411 -3.417 1.00 0.00 N ATOM 586 CA LEU A 41 -0.830 -7.694 -4.251 1.00 0.00 C ATOM 587 C LEU A 41 -2.063 -8.571 -4.421 1.00 0.00 C ATOM 588 O LEU A 41 -3.182 -8.113 -4.315 1.00 0.00 O ATOM 589 CB LEU A 41 -0.218 -7.405 -5.623 1.00 0.00 C ATOM 590 CG LEU A 41 -1.180 -6.561 -6.461 1.00 0.00 C ATOM 591 CD1 LEU A 41 -0.907 -5.079 -6.212 1.00 0.00 C ATOM 592 CD2 LEU A 41 -0.972 -6.872 -7.944 1.00 0.00 C ATOM 0 H LEU A 41 1.073 -8.566 -3.861 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.112 -6.758 -3.770 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.730 -6.880 -5.504 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.001 -8.341 -6.137 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.207 -6.795 -6.179 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.592 -4.477 -6.809 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.053 -4.855 -5.155 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.120 -4.846 -6.494 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.657 -6.271 -8.541 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.055 -6.638 -8.224 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.165 -7.929 -8.125 1.00 0.00 H new ATOM 604 N LEU A 42 -1.873 -9.831 -4.675 1.00 0.00 N ATOM 605 CA LEU A 42 -3.049 -10.724 -4.847 1.00 0.00 C ATOM 606 C LEU A 42 -3.872 -10.691 -3.563 1.00 0.00 C ATOM 607 O LEU A 42 -5.084 -10.599 -3.590 1.00 0.00 O ATOM 608 CB LEU A 42 -2.572 -12.154 -5.122 1.00 0.00 C ATOM 609 CG LEU A 42 -3.774 -13.056 -5.419 1.00 0.00 C ATOM 610 CD1 LEU A 42 -4.265 -12.811 -6.844 1.00 0.00 C ATOM 611 CD2 LEU A 42 -3.356 -14.521 -5.272 1.00 0.00 C ATOM 0 H LEU A 42 -0.962 -10.280 -4.771 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.657 -10.388 -5.687 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -1.883 -12.161 -5.967 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.024 -12.536 -4.261 1.00 0.00 H new ATOM 0 HG LEU A 42 -4.577 -12.829 -4.717 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -5.120 -13.455 -7.050 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.562 -11.768 -6.952 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.464 -13.035 -7.548 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -4.209 -15.166 -5.483 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -2.552 -14.742 -5.974 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -3.009 -14.700 -4.254 1.00 0.00 H new ATOM 623 N LYS A 43 -3.220 -10.746 -2.436 1.00 0.00 N ATOM 624 CA LYS A 43 -3.958 -10.698 -1.147 1.00 0.00 C ATOM 625 C LYS A 43 -4.600 -9.318 -0.979 1.00 0.00 C ATOM 626 O LYS A 43 -5.683 -9.185 -0.446 1.00 0.00 O ATOM 627 CB LYS A 43 -2.982 -10.951 -0.002 1.00 0.00 C ATOM 628 CG LYS A 43 -2.426 -12.372 -0.106 1.00 0.00 C ATOM 629 CD LYS A 43 -1.538 -12.664 1.105 1.00 0.00 C ATOM 630 CE LYS A 43 -0.889 -14.039 0.944 1.00 0.00 C ATOM 631 NZ LYS A 43 -1.913 -15.101 1.159 1.00 0.00 N ATOM 0 H LYS A 43 -2.206 -10.822 -2.353 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.736 -11.461 -1.139 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.168 -10.227 -0.038 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -3.486 -10.816 0.955 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.244 -13.091 -0.152 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -1.852 -12.483 -1.026 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.770 -11.897 1.199 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.131 -12.635 2.019 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -0.455 -14.134 -0.051 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -0.074 -14.154 1.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.447 -16.030 1.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -2.414 -14.924 2.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.594 -15.091 0.373 1.00 0.00 H new ATOM 645 N VAL A 44 -3.926 -8.286 -1.416 1.00 0.00 N ATOM 646 CA VAL A 44 -4.481 -6.909 -1.268 1.00 0.00 C ATOM 647 C VAL A 44 -5.747 -6.744 -2.115 1.00 0.00 C ATOM 648 O VAL A 44 -6.762 -6.277 -1.643 1.00 0.00 O ATOM 649 CB VAL A 44 -3.435 -5.893 -1.723 1.00 0.00 C ATOM 650 CG1 VAL A 44 -4.050 -4.492 -1.718 1.00 0.00 C ATOM 651 CG2 VAL A 44 -2.242 -5.929 -0.766 1.00 0.00 C ATOM 0 H VAL A 44 -3.014 -8.338 -1.870 1.00 0.00 H new ATOM 0 HA VAL A 44 -4.735 -6.744 -0.221 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.101 -6.140 -2.731 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.304 -3.766 -2.043 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -4.902 -4.466 -2.398 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.383 -4.244 -0.710 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.494 -5.205 -1.089 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.576 -5.681 0.241 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.804 -6.927 -0.768 1.00 0.00 H new ATOM 661 N ILE A 45 -5.698 -7.115 -3.363 1.00 0.00 N ATOM 662 CA ILE A 45 -6.900 -6.967 -4.224 1.00 0.00 C ATOM 663 C ILE A 45 -8.036 -7.828 -3.673 1.00 0.00 C ATOM 664 O ILE A 45 -9.179 -7.417 -3.639 1.00 0.00 O ATOM 665 CB ILE A 45 -6.563 -7.411 -5.649 1.00 0.00 C ATOM 666 CG1 ILE A 45 -5.382 -6.597 -6.197 1.00 0.00 C ATOM 667 CG2 ILE A 45 -7.777 -7.193 -6.539 1.00 0.00 C ATOM 668 CD1 ILE A 45 -5.645 -5.101 -6.015 1.00 0.00 C ATOM 0 H ILE A 45 -4.879 -7.513 -3.822 1.00 0.00 H new ATOM 0 HA ILE A 45 -7.213 -5.923 -4.234 1.00 0.00 H new ATOM 0 HB ILE A 45 -6.290 -8.466 -5.637 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.465 -6.879 -5.679 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -5.234 -6.822 -7.253 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -7.544 -7.507 -7.556 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -8.615 -7.779 -6.161 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -8.044 -6.136 -6.538 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -4.801 -4.533 -6.407 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -6.551 -4.823 -6.553 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -5.770 -4.880 -4.955 1.00 0.00 H new ATOM 680 N ALA A 46 -7.735 -9.020 -3.239 1.00 0.00 N ATOM 681 CA ALA A 46 -8.802 -9.902 -2.692 1.00 0.00 C ATOM 682 C ALA A 46 -9.370 -9.287 -1.411 1.00 0.00 C ATOM 683 O ALA A 46 -10.567 -9.265 -1.197 1.00 0.00 O ATOM 684 CB ALA A 46 -8.206 -11.275 -2.374 1.00 0.00 C ATOM 0 H ALA A 46 -6.797 -9.421 -3.240 1.00 0.00 H new ATOM 0 HA ALA A 46 -9.600 -10.007 -3.427 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -8.984 -11.925 -1.973 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -7.799 -11.715 -3.285 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -7.410 -11.164 -1.638 1.00 0.00 H new ATOM 690 N TRP A 47 -8.519 -8.785 -0.560 1.00 0.00 N ATOM 691 CA TRP A 47 -9.003 -8.168 0.708 1.00 0.00 C ATOM 692 C TRP A 47 -9.623 -6.802 0.415 1.00 0.00 C ATOM 693 O TRP A 47 -10.627 -6.428 0.989 1.00 0.00 O ATOM 694 CB TRP A 47 -7.824 -8.004 1.668 1.00 0.00 C ATOM 695 CG TRP A 47 -8.034 -6.794 2.520 1.00 0.00 C ATOM 696 CD1 TRP A 47 -8.730 -6.767 3.680 1.00 0.00 C ATOM 697 CD2 TRP A 47 -7.553 -5.437 2.301 1.00 0.00 C ATOM 698 NE1 TRP A 47 -8.705 -5.479 4.185 1.00 0.00 N ATOM 699 CE2 TRP A 47 -7.991 -4.624 3.370 1.00 0.00 C ATOM 700 CE3 TRP A 47 -6.786 -4.841 1.285 1.00 0.00 C ATOM 701 CZ2 TRP A 47 -7.676 -3.265 3.430 1.00 0.00 C ATOM 702 CZ3 TRP A 47 -6.468 -3.476 1.341 1.00 0.00 C ATOM 703 CH2 TRP A 47 -6.912 -2.690 2.411 1.00 0.00 C ATOM 0 H TRP A 47 -7.507 -8.775 -0.688 1.00 0.00 H new ATOM 0 HA TRP A 47 -9.758 -8.810 1.161 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -7.727 -8.890 2.295 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -6.895 -7.908 1.106 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -9.224 -7.612 4.137 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -9.159 -5.196 5.054 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -6.439 -5.439 0.455 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -8.020 -2.663 4.258 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -5.878 -3.029 0.555 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -6.664 -1.640 2.449 1.00 0.00 H new ATOM 714 N LEU A 48 -9.028 -6.050 -0.468 1.00 0.00 N ATOM 715 CA LEU A 48 -9.575 -4.705 -0.791 1.00 0.00 C ATOM 716 C LEU A 48 -11.015 -4.842 -1.289 1.00 0.00 C ATOM 717 O LEU A 48 -11.883 -4.074 -0.922 1.00 0.00 O ATOM 718 CB LEU A 48 -8.714 -4.066 -1.882 1.00 0.00 C ATOM 719 CG LEU A 48 -9.133 -2.617 -2.092 1.00 0.00 C ATOM 720 CD1 LEU A 48 -8.434 -1.740 -1.060 1.00 0.00 C ATOM 721 CD2 LEU A 48 -8.732 -2.172 -3.499 1.00 0.00 C ATOM 0 H LEU A 48 -8.185 -6.310 -0.980 1.00 0.00 H new ATOM 0 HA LEU A 48 -9.563 -4.079 0.101 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.662 -4.112 -1.601 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -8.820 -4.623 -2.813 1.00 0.00 H new ATOM 0 HG LEU A 48 -10.213 -2.525 -1.978 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -8.730 -0.701 -1.205 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -8.717 -2.061 -0.058 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.354 -1.830 -1.178 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -9.031 -1.135 -3.652 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.652 -2.259 -3.614 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -9.227 -2.805 -4.236 1.00 0.00 H new ATOM 733 N GLU A 49 -11.279 -5.816 -2.114 1.00 0.00 N ATOM 734 CA GLU A 49 -12.667 -6.001 -2.622 1.00 0.00 C ATOM 735 C GLU A 49 -13.599 -6.318 -1.455 1.00 0.00 C ATOM 736 O GLU A 49 -14.712 -5.841 -1.392 1.00 0.00 O ATOM 737 CB GLU A 49 -12.679 -7.147 -3.649 1.00 0.00 C ATOM 738 CG GLU A 49 -14.108 -7.632 -3.901 1.00 0.00 C ATOM 739 CD GLU A 49 -14.094 -8.715 -4.981 1.00 0.00 C ATOM 740 OE1 GLU A 49 -15.164 -9.170 -5.352 1.00 0.00 O ATOM 741 OE2 GLU A 49 -13.013 -9.073 -5.419 1.00 0.00 O ATOM 0 H GLU A 49 -10.596 -6.491 -2.458 1.00 0.00 H new ATOM 0 HA GLU A 49 -13.013 -5.087 -3.105 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -12.234 -6.808 -4.585 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -12.068 -7.973 -3.286 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -14.537 -8.027 -2.980 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -14.737 -6.799 -4.214 1.00 0.00 H new ATOM 748 N ASP A 50 -13.158 -7.121 -0.531 1.00 0.00 N ATOM 749 CA ASP A 50 -14.027 -7.468 0.626 1.00 0.00 C ATOM 750 C ASP A 50 -14.254 -6.245 1.521 1.00 0.00 C ATOM 751 O ASP A 50 -15.360 -5.964 1.937 1.00 0.00 O ATOM 752 CB ASP A 50 -13.350 -8.565 1.443 1.00 0.00 C ATOM 753 CG ASP A 50 -14.305 -9.058 2.532 1.00 0.00 C ATOM 754 OD1 ASP A 50 -14.198 -8.576 3.649 1.00 0.00 O ATOM 755 OD2 ASP A 50 -15.128 -9.907 2.231 1.00 0.00 O ATOM 0 H ASP A 50 -12.234 -7.552 -0.526 1.00 0.00 H new ATOM 0 HA ASP A 50 -14.991 -7.811 0.251 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -13.065 -9.393 0.793 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -12.434 -8.184 1.894 1.00 0.00 H new ATOM 760 N ARG A 51 -13.208 -5.537 1.845 1.00 0.00 N ATOM 761 CA ARG A 51 -13.351 -4.353 2.743 1.00 0.00 C ATOM 762 C ARG A 51 -14.127 -3.212 2.070 1.00 0.00 C ATOM 763 O ARG A 51 -14.958 -2.581 2.692 1.00 0.00 O ATOM 764 CB ARG A 51 -11.964 -3.849 3.143 1.00 0.00 C ATOM 765 CG ARG A 51 -12.112 -2.705 4.148 1.00 0.00 C ATOM 766 CD ARG A 51 -10.729 -2.211 4.576 1.00 0.00 C ATOM 767 NE ARG A 51 -10.884 -1.145 5.608 1.00 0.00 N ATOM 768 CZ ARG A 51 -9.954 -0.957 6.506 1.00 0.00 C ATOM 769 NH1 ARG A 51 -10.098 -0.020 7.404 1.00 0.00 N ATOM 770 NH2 ARG A 51 -8.882 -1.701 6.509 1.00 0.00 N ATOM 0 H ARG A 51 -12.258 -5.726 1.527 1.00 0.00 H new ATOM 0 HA ARG A 51 -13.913 -4.669 3.622 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -11.382 -4.660 3.581 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -11.421 -3.507 2.262 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -12.679 -1.888 3.702 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -12.673 -3.044 5.019 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -10.143 -3.038 4.976 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -10.186 -1.823 3.714 1.00 0.00 H new ATOM 0 HE ARG A 51 -11.720 -0.560 5.613 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -10.935 0.563 7.403 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -9.373 0.129 8.106 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -8.767 -2.433 5.808 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -8.159 -1.550 7.212 1.00 0.00 H new ATOM 784 N PHE A 52 -13.851 -2.914 0.827 1.00 0.00 N ATOM 785 CA PHE A 52 -14.562 -1.782 0.166 1.00 0.00 C ATOM 786 C PHE A 52 -15.644 -2.288 -0.791 1.00 0.00 C ATOM 787 O PHE A 52 -16.403 -1.512 -1.337 1.00 0.00 O ATOM 788 CB PHE A 52 -13.542 -0.958 -0.618 1.00 0.00 C ATOM 789 CG PHE A 52 -12.541 -0.355 0.339 1.00 0.00 C ATOM 790 CD1 PHE A 52 -11.314 -0.991 0.559 1.00 0.00 C ATOM 791 CD2 PHE A 52 -12.842 0.839 1.006 1.00 0.00 C ATOM 792 CE1 PHE A 52 -10.386 -0.432 1.447 1.00 0.00 C ATOM 793 CE2 PHE A 52 -11.914 1.398 1.894 1.00 0.00 C ATOM 794 CZ PHE A 52 -10.686 0.762 2.114 1.00 0.00 C ATOM 0 H PHE A 52 -13.169 -3.402 0.246 1.00 0.00 H new ATOM 0 HA PHE A 52 -15.044 -1.175 0.932 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -13.031 -1.588 -1.346 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -14.047 -0.170 -1.177 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -11.083 -1.912 0.045 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -13.789 1.329 0.836 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -9.439 -0.922 1.617 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -12.145 2.319 2.409 1.00 0.00 H new ATOM 0 HZ PHE A 52 -9.970 1.193 2.798 1.00 0.00 H new ATOM 804 N GLY A 53 -15.731 -3.569 -1.010 1.00 0.00 N ATOM 805 CA GLY A 53 -16.777 -4.079 -1.941 1.00 0.00 C ATOM 806 C GLY A 53 -16.429 -3.650 -3.369 1.00 0.00 C ATOM 807 O GLY A 53 -17.294 -3.485 -4.207 1.00 0.00 O ATOM 0 H GLY A 53 -15.131 -4.279 -0.591 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -16.838 -5.166 -1.879 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -17.755 -3.688 -1.659 1.00 0.00 H new ATOM 811 N ILE A 54 -15.167 -3.459 -3.650 1.00 0.00 N ATOM 812 CA ILE A 54 -14.762 -3.031 -5.020 1.00 0.00 C ATOM 813 C ILE A 54 -14.300 -4.252 -5.817 1.00 0.00 C ATOM 814 O ILE A 54 -13.668 -5.142 -5.292 1.00 0.00 O ATOM 815 CB ILE A 54 -13.616 -2.027 -4.915 1.00 0.00 C ATOM 816 CG1 ILE A 54 -14.057 -0.847 -4.047 1.00 0.00 C ATOM 817 CG2 ILE A 54 -13.246 -1.522 -6.310 1.00 0.00 C ATOM 818 CD1 ILE A 54 -12.847 0.024 -3.716 1.00 0.00 C ATOM 0 H ILE A 54 -14.399 -3.581 -2.989 1.00 0.00 H new ATOM 0 HA ILE A 54 -15.609 -2.567 -5.526 1.00 0.00 H new ATOM 0 HB ILE A 54 -12.749 -2.510 -4.465 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -14.810 -0.258 -4.571 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -14.519 -1.210 -3.129 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -12.428 -0.806 -6.233 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -12.935 -2.362 -6.931 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -14.111 -1.037 -6.763 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -13.162 0.865 -3.098 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -12.109 -0.568 -3.175 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -12.405 0.398 -4.639 1.00 0.00 H new ATOM 830 N ALA A 55 -14.614 -4.305 -7.082 1.00 0.00 N ATOM 831 CA ALA A 55 -14.200 -5.479 -7.899 1.00 0.00 C ATOM 832 C ALA A 55 -12.676 -5.591 -7.905 1.00 0.00 C ATOM 833 O ALA A 55 -11.968 -4.604 -7.902 1.00 0.00 O ATOM 834 CB ALA A 55 -14.704 -5.305 -9.332 1.00 0.00 C ATOM 0 H ALA A 55 -15.138 -3.588 -7.584 1.00 0.00 H new ATOM 0 HA ALA A 55 -14.626 -6.386 -7.470 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -14.401 -6.164 -9.931 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -15.791 -5.230 -9.329 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -14.279 -4.397 -9.759 1.00 0.00 H new ATOM 840 N ALA A 56 -12.168 -6.793 -7.905 1.00 0.00 N ATOM 841 CA ALA A 56 -10.693 -6.985 -7.901 1.00 0.00 C ATOM 842 C ALA A 56 -10.086 -6.353 -9.158 1.00 0.00 C ATOM 843 O ALA A 56 -8.985 -5.840 -9.137 1.00 0.00 O ATOM 844 CB ALA A 56 -10.379 -8.482 -7.883 1.00 0.00 C ATOM 0 H ALA A 56 -12.715 -7.654 -7.908 1.00 0.00 H new ATOM 0 HA ALA A 56 -10.268 -6.509 -7.017 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -9.299 -8.627 -7.880 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -10.808 -8.933 -6.988 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -10.806 -8.954 -8.768 1.00 0.00 H new ATOM 850 N ASP A 57 -10.795 -6.394 -10.251 1.00 0.00 N ATOM 851 CA ASP A 57 -10.266 -5.807 -11.512 1.00 0.00 C ATOM 852 C ASP A 57 -10.670 -4.333 -11.608 1.00 0.00 C ATOM 853 O ASP A 57 -10.542 -3.711 -12.644 1.00 0.00 O ATOM 854 CB ASP A 57 -10.844 -6.577 -12.699 1.00 0.00 C ATOM 855 CG ASP A 57 -12.364 -6.407 -12.737 1.00 0.00 C ATOM 856 OD1 ASP A 57 -12.865 -5.549 -12.029 1.00 0.00 O ATOM 857 OD2 ASP A 57 -13.003 -7.140 -13.474 1.00 0.00 O ATOM 0 H ASP A 57 -11.723 -6.811 -10.325 1.00 0.00 H new ATOM 0 HA ASP A 57 -9.178 -5.877 -11.521 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -10.405 -6.214 -13.628 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -10.589 -7.634 -12.618 1.00 0.00 H new ATOM 862 N ASP A 58 -11.160 -3.771 -10.538 1.00 0.00 N ATOM 863 CA ASP A 58 -11.577 -2.341 -10.571 1.00 0.00 C ATOM 864 C ASP A 58 -10.426 -1.474 -11.088 1.00 0.00 C ATOM 865 O ASP A 58 -10.640 -0.491 -11.769 1.00 0.00 O ATOM 866 CB ASP A 58 -11.960 -1.891 -9.162 1.00 0.00 C ATOM 867 CG ASP A 58 -12.577 -0.493 -9.221 1.00 0.00 C ATOM 868 OD1 ASP A 58 -13.765 -0.402 -9.482 1.00 0.00 O ATOM 869 OD2 ASP A 58 -11.852 0.463 -9.003 1.00 0.00 O ATOM 0 H ASP A 58 -11.290 -4.240 -9.642 1.00 0.00 H new ATOM 0 HA ASP A 58 -12.434 -2.232 -11.236 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -12.669 -2.594 -8.725 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -11.080 -1.884 -8.519 1.00 0.00 H new ATOM 874 N VAL A 59 -9.211 -1.828 -10.766 1.00 0.00 N ATOM 875 CA VAL A 59 -8.046 -1.020 -11.235 1.00 0.00 C ATOM 876 C VAL A 59 -7.012 -1.936 -11.892 1.00 0.00 C ATOM 877 O VAL A 59 -6.811 -3.060 -11.478 1.00 0.00 O ATOM 878 CB VAL A 59 -7.408 -0.308 -10.040 1.00 0.00 C ATOM 879 CG1 VAL A 59 -6.836 -1.345 -9.073 1.00 0.00 C ATOM 880 CG2 VAL A 59 -6.281 0.605 -10.532 1.00 0.00 C ATOM 0 H VAL A 59 -8.974 -2.642 -10.198 1.00 0.00 H new ATOM 0 HA VAL A 59 -8.388 -0.283 -11.962 1.00 0.00 H new ATOM 0 HB VAL A 59 -8.163 0.288 -9.528 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -6.382 -0.837 -8.222 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -7.637 -1.996 -8.722 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -6.081 -1.942 -9.585 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -5.826 1.112 -9.681 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -5.526 0.008 -11.044 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -6.687 1.345 -11.221 1.00 0.00 H new ATOM 890 N GLU A 60 -6.351 -1.462 -12.915 1.00 0.00 N ATOM 891 CA GLU A 60 -5.330 -2.302 -13.601 1.00 0.00 C ATOM 892 C GLU A 60 -4.102 -2.449 -12.700 1.00 0.00 C ATOM 893 O GLU A 60 -3.729 -1.538 -11.988 1.00 0.00 O ATOM 894 CB GLU A 60 -4.921 -1.639 -14.917 1.00 0.00 C ATOM 895 CG GLU A 60 -3.975 -2.562 -15.679 1.00 0.00 C ATOM 896 CD GLU A 60 -3.493 -1.864 -16.952 1.00 0.00 C ATOM 897 OE1 GLU A 60 -2.746 -2.479 -17.694 1.00 0.00 O ATOM 898 OE2 GLU A 60 -3.879 -0.726 -17.163 1.00 0.00 O ATOM 0 H GLU A 60 -6.476 -0.528 -13.305 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.750 -3.286 -13.807 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.804 -1.428 -15.520 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -4.434 -0.684 -14.720 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.123 -2.825 -15.052 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.484 -3.492 -15.932 1.00 0.00 H new ATOM 905 N LEU A 61 -3.475 -3.593 -12.720 1.00 0.00 N ATOM 906 CA LEU A 61 -2.279 -3.803 -11.860 1.00 0.00 C ATOM 907 C LEU A 61 -1.004 -3.551 -12.669 1.00 0.00 C ATOM 908 O LEU A 61 -0.876 -3.991 -13.795 1.00 0.00 O ATOM 909 CB LEU A 61 -2.277 -5.245 -11.352 1.00 0.00 C ATOM 910 CG LEU A 61 -3.626 -5.563 -10.715 1.00 0.00 C ATOM 911 CD1 LEU A 61 -3.596 -6.972 -10.120 1.00 0.00 C ATOM 912 CD2 LEU A 61 -3.922 -4.548 -9.609 1.00 0.00 C ATOM 0 H LEU A 61 -3.741 -4.392 -13.296 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.312 -3.110 -11.019 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.081 -5.931 -12.176 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.478 -5.384 -10.624 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.405 -5.509 -11.476 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.561 -7.196 -9.666 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.390 -7.696 -10.909 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.816 -7.030 -9.361 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.886 -4.776 -9.154 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.142 -4.599 -8.850 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.949 -3.545 -10.034 1.00 0.00 H new ATOM 924 N SER A 62 -0.056 -2.855 -12.102 1.00 0.00 N ATOM 925 CA SER A 62 1.212 -2.587 -12.834 1.00 0.00 C ATOM 926 C SER A 62 2.309 -2.219 -11.823 1.00 0.00 C ATOM 927 O SER A 62 2.043 -1.572 -10.831 1.00 0.00 O ATOM 928 CB SER A 62 1.005 -1.425 -13.807 1.00 0.00 C ATOM 929 OG SER A 62 1.394 -1.830 -15.112 1.00 0.00 O ATOM 0 H SER A 62 -0.106 -2.461 -11.163 1.00 0.00 H new ATOM 0 HA SER A 62 1.508 -3.476 -13.391 1.00 0.00 H new ATOM 0 HB2 SER A 62 -0.041 -1.117 -13.806 1.00 0.00 H new ATOM 0 HB3 SER A 62 1.592 -0.562 -13.491 1.00 0.00 H new ATOM 0 HG SER A 62 1.261 -1.088 -15.738 1.00 0.00 H new ATOM 935 N PRO A 63 3.532 -2.627 -12.066 1.00 0.00 N ATOM 936 CA PRO A 63 4.670 -2.326 -11.147 1.00 0.00 C ATOM 937 C PRO A 63 4.937 -0.822 -11.041 1.00 0.00 C ATOM 938 O PRO A 63 5.466 -0.339 -10.059 1.00 0.00 O ATOM 939 CB PRO A 63 5.869 -3.040 -11.778 1.00 0.00 C ATOM 940 CG PRO A 63 5.491 -3.298 -13.199 1.00 0.00 C ATOM 941 CD PRO A 63 3.969 -3.405 -13.234 1.00 0.00 C ATOM 0 HA PRO A 63 4.463 -2.660 -10.130 1.00 0.00 H new ATOM 0 HB2 PRO A 63 6.766 -2.424 -11.718 1.00 0.00 H new ATOM 0 HB3 PRO A 63 6.087 -3.972 -11.257 1.00 0.00 H new ATOM 0 HG2 PRO A 63 5.837 -2.491 -13.845 1.00 0.00 H new ATOM 0 HG3 PRO A 63 5.952 -4.217 -13.562 1.00 0.00 H new ATOM 0 HD2 PRO A 63 3.561 -2.999 -14.160 1.00 0.00 H new ATOM 0 HD3 PRO A 63 3.640 -4.442 -13.169 1.00 0.00 H new ATOM 949 N GLU A 64 4.577 -0.082 -12.053 1.00 0.00 N ATOM 950 CA GLU A 64 4.808 1.389 -12.028 1.00 0.00 C ATOM 951 C GLU A 64 3.958 2.027 -10.929 1.00 0.00 C ATOM 952 O GLU A 64 4.321 3.032 -10.350 1.00 0.00 O ATOM 953 CB GLU A 64 4.420 1.985 -13.380 1.00 0.00 C ATOM 954 CG GLU A 64 5.347 1.443 -14.463 1.00 0.00 C ATOM 955 CD GLU A 64 5.004 2.092 -15.804 1.00 0.00 C ATOM 956 OE1 GLU A 64 3.994 2.774 -15.870 1.00 0.00 O ATOM 957 OE2 GLU A 64 5.756 1.897 -16.744 1.00 0.00 O ATOM 0 H GLU A 64 4.131 -0.435 -12.900 1.00 0.00 H new ATOM 0 HA GLU A 64 5.861 1.586 -11.828 1.00 0.00 H new ATOM 0 HB2 GLU A 64 3.385 1.736 -13.615 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.486 3.072 -13.342 1.00 0.00 H new ATOM 0 HG2 GLU A 64 6.385 1.649 -14.203 1.00 0.00 H new ATOM 0 HG3 GLU A 64 5.245 0.360 -14.535 1.00 0.00 H new ATOM 964 N HIS A 65 2.819 1.459 -10.651 1.00 0.00 N ATOM 965 CA HIS A 65 1.927 2.032 -9.604 1.00 0.00 C ATOM 966 C HIS A 65 2.557 1.876 -8.216 1.00 0.00 C ATOM 967 O HIS A 65 2.267 2.631 -7.309 1.00 0.00 O ATOM 968 CB HIS A 65 0.585 1.301 -9.635 1.00 0.00 C ATOM 969 CG HIS A 65 -0.347 1.922 -8.633 1.00 0.00 C ATOM 970 ND1 HIS A 65 -0.792 3.230 -8.751 1.00 0.00 N ATOM 971 CD2 HIS A 65 -0.925 1.428 -7.489 1.00 0.00 C ATOM 972 CE1 HIS A 65 -1.602 3.478 -7.705 1.00 0.00 C ATOM 973 NE2 HIS A 65 -1.716 2.413 -6.909 1.00 0.00 N ATOM 0 H HIS A 65 2.465 0.618 -11.106 1.00 0.00 H new ATOM 0 HA HIS A 65 1.782 3.093 -9.805 1.00 0.00 H new ATOM 0 HB2 HIS A 65 0.152 1.356 -10.634 1.00 0.00 H new ATOM 0 HB3 HIS A 65 0.729 0.245 -9.408 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -0.550 3.885 -9.495 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -0.786 0.430 -7.101 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -2.098 4.422 -7.531 1.00 0.00 H new ATOM 982 N PHE A 66 3.395 0.894 -8.032 1.00 0.00 N ATOM 983 CA PHE A 66 4.012 0.688 -6.689 1.00 0.00 C ATOM 984 C PHE A 66 5.424 1.278 -6.635 1.00 0.00 C ATOM 985 O PHE A 66 6.156 1.057 -5.692 1.00 0.00 O ATOM 986 CB PHE A 66 4.066 -0.810 -6.389 1.00 0.00 C ATOM 987 CG PHE A 66 2.658 -1.317 -6.204 1.00 0.00 C ATOM 988 CD1 PHE A 66 1.943 -1.821 -7.299 1.00 0.00 C ATOM 989 CD2 PHE A 66 2.062 -1.275 -4.938 1.00 0.00 C ATOM 990 CE1 PHE A 66 0.631 -2.280 -7.125 1.00 0.00 C ATOM 991 CE2 PHE A 66 0.753 -1.735 -4.765 1.00 0.00 C ATOM 992 CZ PHE A 66 0.037 -2.237 -5.857 1.00 0.00 C ATOM 0 H PHE A 66 3.679 0.227 -8.749 1.00 0.00 H new ATOM 0 HA PHE A 66 3.404 1.198 -5.942 1.00 0.00 H new ATOM 0 HB2 PHE A 66 4.555 -1.342 -7.206 1.00 0.00 H new ATOM 0 HB3 PHE A 66 4.655 -0.994 -5.491 1.00 0.00 H new ATOM 0 HD1 PHE A 66 2.403 -1.855 -8.276 1.00 0.00 H new ATOM 0 HD2 PHE A 66 2.614 -0.887 -4.094 1.00 0.00 H new ATOM 0 HE1 PHE A 66 0.078 -2.667 -7.968 1.00 0.00 H new ATOM 0 HE2 PHE A 66 0.294 -1.703 -3.788 1.00 0.00 H new ATOM 0 HZ PHE A 66 -0.974 -2.592 -5.722 1.00 0.00 H new ATOM 1002 N ARG A 67 5.820 2.030 -7.623 1.00 0.00 N ATOM 1003 CA ARG A 67 7.188 2.624 -7.588 1.00 0.00 C ATOM 1004 C ARG A 67 7.344 3.489 -6.336 1.00 0.00 C ATOM 1005 O ARG A 67 8.400 3.544 -5.738 1.00 0.00 O ATOM 1006 CB ARG A 67 7.418 3.476 -8.836 1.00 0.00 C ATOM 1007 CG ARG A 67 7.637 2.561 -10.038 1.00 0.00 C ATOM 1008 CD ARG A 67 9.119 2.193 -10.134 1.00 0.00 C ATOM 1009 NE ARG A 67 9.865 3.304 -10.789 1.00 0.00 N ATOM 1010 CZ ARG A 67 11.098 3.124 -11.177 1.00 0.00 C ATOM 1011 NH1 ARG A 67 11.750 4.097 -11.751 1.00 0.00 N ATOM 1012 NH2 ARG A 67 11.678 1.969 -10.992 1.00 0.00 N ATOM 0 H ARG A 67 5.263 2.258 -8.446 1.00 0.00 H new ATOM 0 HA ARG A 67 7.925 1.821 -7.564 1.00 0.00 H new ATOM 0 HB2 ARG A 67 6.560 4.125 -9.010 1.00 0.00 H new ATOM 0 HB3 ARG A 67 8.284 4.123 -8.694 1.00 0.00 H new ATOM 0 HG2 ARG A 67 7.033 1.659 -9.937 1.00 0.00 H new ATOM 0 HG3 ARG A 67 7.315 3.060 -10.952 1.00 0.00 H new ATOM 0 HD2 ARG A 67 9.523 2.006 -9.139 1.00 0.00 H new ATOM 0 HD3 ARG A 67 9.240 1.273 -10.706 1.00 0.00 H new ATOM 0 HE ARG A 67 9.412 4.206 -10.934 1.00 0.00 H new ATOM 0 HH11 ARG A 67 11.296 4.999 -11.897 1.00 0.00 H new ATOM 0 HH12 ARG A 67 12.714 3.956 -12.054 1.00 0.00 H new ATOM 0 HH21 ARG A 67 11.167 1.208 -10.544 1.00 0.00 H new ATOM 0 HH22 ARG A 67 12.642 1.828 -11.295 1.00 0.00 H new ATOM 1026 N SER A 68 6.304 4.164 -5.931 1.00 0.00 N ATOM 1027 CA SER A 68 6.406 5.020 -4.712 1.00 0.00 C ATOM 1028 C SER A 68 5.100 4.948 -3.916 1.00 0.00 C ATOM 1029 O SER A 68 4.029 4.801 -4.470 1.00 0.00 O ATOM 1030 CB SER A 68 6.667 6.468 -5.131 1.00 0.00 C ATOM 1031 OG SER A 68 5.514 6.983 -5.782 1.00 0.00 O ATOM 0 H SER A 68 5.392 4.161 -6.387 1.00 0.00 H new ATOM 0 HA SER A 68 7.226 4.664 -4.089 1.00 0.00 H new ATOM 0 HB2 SER A 68 6.907 7.074 -4.257 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.528 6.516 -5.798 1.00 0.00 H new ATOM 0 HG SER A 68 5.677 7.911 -6.051 1.00 0.00 H new ATOM 1037 N ILE A 69 5.183 5.056 -2.617 1.00 0.00 N ATOM 1038 CA ILE A 69 3.961 5.001 -1.775 1.00 0.00 C ATOM 1039 C ILE A 69 3.077 6.222 -2.049 1.00 0.00 C ATOM 1040 O ILE A 69 1.864 6.138 -2.030 1.00 0.00 O ATOM 1041 CB ILE A 69 4.378 4.997 -0.306 1.00 0.00 C ATOM 1042 CG1 ILE A 69 5.228 3.767 -0.019 1.00 0.00 C ATOM 1043 CG2 ILE A 69 3.140 4.955 0.570 1.00 0.00 C ATOM 1044 CD1 ILE A 69 5.853 3.884 1.371 1.00 0.00 C ATOM 0 H ILE A 69 6.055 5.181 -2.102 1.00 0.00 H new ATOM 0 HA ILE A 69 3.397 4.098 -2.010 1.00 0.00 H new ATOM 0 HB ILE A 69 4.953 5.899 -0.094 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.615 2.868 -0.078 1.00 0.00 H new ATOM 0 HG13 ILE A 69 6.010 3.670 -0.772 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.436 4.952 1.619 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.523 5.831 0.370 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.570 4.052 0.352 1.00 0.00 H new ATOM 0 HD11 ILE A 69 6.460 3.002 1.572 1.00 0.00 H new ATOM 0 HD12 ILE A 69 6.481 4.774 1.414 1.00 0.00 H new ATOM 0 HD13 ILE A 69 5.064 3.960 2.119 1.00 0.00 H new ATOM 1056 N ARG A 70 3.674 7.358 -2.281 1.00 0.00 N ATOM 1057 CA ARG A 70 2.873 8.591 -2.530 1.00 0.00 C ATOM 1058 C ARG A 70 1.998 8.422 -3.776 1.00 0.00 C ATOM 1059 O ARG A 70 0.874 8.883 -3.818 1.00 0.00 O ATOM 1060 CB ARG A 70 3.820 9.774 -2.737 1.00 0.00 C ATOM 1061 CG ARG A 70 4.612 10.025 -1.453 1.00 0.00 C ATOM 1062 CD ARG A 70 5.468 11.282 -1.619 1.00 0.00 C ATOM 1063 NE ARG A 70 6.357 11.124 -2.804 1.00 0.00 N ATOM 1064 CZ ARG A 70 7.255 12.033 -3.071 1.00 0.00 C ATOM 1065 NH1 ARG A 70 8.035 11.894 -4.109 1.00 0.00 N ATOM 1066 NH2 ARG A 70 7.373 13.080 -2.302 1.00 0.00 N ATOM 0 H ARG A 70 4.685 7.487 -2.309 1.00 0.00 H new ATOM 0 HA ARG A 70 2.229 8.771 -1.669 1.00 0.00 H new ATOM 0 HB2 ARG A 70 4.501 9.568 -3.563 1.00 0.00 H new ATOM 0 HB3 ARG A 70 3.253 10.665 -3.007 1.00 0.00 H new ATOM 0 HG2 ARG A 70 3.931 10.145 -0.610 1.00 0.00 H new ATOM 0 HG3 ARG A 70 5.246 9.167 -1.231 1.00 0.00 H new ATOM 0 HD2 ARG A 70 4.829 12.156 -1.744 1.00 0.00 H new ATOM 0 HD3 ARG A 70 6.065 11.449 -0.723 1.00 0.00 H new ATOM 0 HE ARG A 70 6.264 10.306 -3.406 1.00 0.00 H new ATOM 0 HH11 ARG A 70 7.942 11.076 -4.711 1.00 0.00 H new ATOM 0 HH12 ARG A 70 8.737 12.604 -4.318 1.00 0.00 H new ATOM 0 HH21 ARG A 70 6.763 13.189 -1.491 1.00 0.00 H new ATOM 0 HH22 ARG A 70 8.075 13.790 -2.511 1.00 0.00 H new ATOM 1080 N SER A 71 2.498 7.781 -4.795 1.00 0.00 N ATOM 1081 CA SER A 71 1.687 7.608 -6.029 1.00 0.00 C ATOM 1082 C SER A 71 0.434 6.782 -5.723 1.00 0.00 C ATOM 1083 O SER A 71 -0.638 7.056 -6.223 1.00 0.00 O ATOM 1084 CB SER A 71 2.526 6.887 -7.082 1.00 0.00 C ATOM 1085 OG SER A 71 2.747 5.545 -6.668 1.00 0.00 O ATOM 0 H SER A 71 3.431 7.371 -4.826 1.00 0.00 H new ATOM 0 HA SER A 71 1.384 8.587 -6.401 1.00 0.00 H new ATOM 0 HB2 SER A 71 2.015 6.903 -8.045 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.478 7.399 -7.218 1.00 0.00 H new ATOM 0 HG SER A 71 3.436 5.527 -5.971 1.00 0.00 H new ATOM 1091 N ILE A 72 0.560 5.773 -4.907 1.00 0.00 N ATOM 1092 CA ILE A 72 -0.617 4.931 -4.572 1.00 0.00 C ATOM 1093 C ILE A 72 -1.613 5.736 -3.733 1.00 0.00 C ATOM 1094 O ILE A 72 -2.810 5.643 -3.917 1.00 0.00 O ATOM 1095 CB ILE A 72 -0.144 3.715 -3.778 1.00 0.00 C ATOM 1096 CG1 ILE A 72 0.902 2.950 -4.594 1.00 0.00 C ATOM 1097 CG2 ILE A 72 -1.331 2.801 -3.498 1.00 0.00 C ATOM 1098 CD1 ILE A 72 1.452 1.790 -3.761 1.00 0.00 C ATOM 0 H ILE A 72 1.432 5.496 -4.457 1.00 0.00 H new ATOM 0 HA ILE A 72 -1.109 4.608 -5.490 1.00 0.00 H new ATOM 0 HB ILE A 72 0.295 4.044 -2.836 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.456 2.572 -5.514 1.00 0.00 H new ATOM 0 HG13 ILE A 72 1.712 3.619 -4.885 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.996 1.932 -2.931 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -2.080 3.344 -2.921 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.768 2.472 -4.441 1.00 0.00 H new ATOM 0 HD11 ILE A 72 2.196 1.246 -4.342 1.00 0.00 H new ATOM 0 HD12 ILE A 72 1.914 2.180 -2.854 1.00 0.00 H new ATOM 0 HD13 ILE A 72 0.638 1.117 -3.493 1.00 0.00 H new ATOM 1110 N ASP A 73 -1.128 6.515 -2.805 1.00 0.00 N ATOM 1111 CA ASP A 73 -2.047 7.314 -1.944 1.00 0.00 C ATOM 1112 C ASP A 73 -2.901 8.245 -2.806 1.00 0.00 C ATOM 1113 O ASP A 73 -4.071 8.443 -2.546 1.00 0.00 O ATOM 1114 CB ASP A 73 -1.225 8.150 -0.962 1.00 0.00 C ATOM 1115 CG ASP A 73 -2.153 8.746 0.098 1.00 0.00 C ATOM 1116 OD1 ASP A 73 -3.320 8.388 0.104 1.00 0.00 O ATOM 1117 OD2 ASP A 73 -1.684 9.550 0.886 1.00 0.00 O ATOM 0 H ASP A 73 -0.135 6.633 -2.605 1.00 0.00 H new ATOM 0 HA ASP A 73 -2.700 6.634 -1.397 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -0.464 7.530 -0.488 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -0.703 8.946 -1.493 1.00 0.00 H new ATOM 1122 N ALA A 74 -2.329 8.828 -3.824 1.00 0.00 N ATOM 1123 CA ALA A 74 -3.120 9.754 -4.683 1.00 0.00 C ATOM 1124 C ALA A 74 -4.239 8.986 -5.385 1.00 0.00 C ATOM 1125 O ALA A 74 -5.372 9.424 -5.428 1.00 0.00 O ATOM 1126 CB ALA A 74 -2.202 10.389 -5.729 1.00 0.00 C ATOM 0 H ALA A 74 -1.354 8.704 -4.097 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.558 10.533 -4.060 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -2.780 11.066 -6.357 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.410 10.946 -5.228 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -1.761 9.608 -6.348 1.00 0.00 H new ATOM 1132 N PHE A 75 -3.936 7.844 -5.933 1.00 0.00 N ATOM 1133 CA PHE A 75 -4.993 7.056 -6.627 1.00 0.00 C ATOM 1134 C PHE A 75 -6.047 6.618 -5.611 1.00 0.00 C ATOM 1135 O PHE A 75 -7.235 6.746 -5.836 1.00 0.00 O ATOM 1136 CB PHE A 75 -4.369 5.823 -7.276 1.00 0.00 C ATOM 1137 CG PHE A 75 -5.413 5.097 -8.088 1.00 0.00 C ATOM 1138 CD1 PHE A 75 -5.676 5.491 -9.405 1.00 0.00 C ATOM 1139 CD2 PHE A 75 -6.121 4.029 -7.523 1.00 0.00 C ATOM 1140 CE1 PHE A 75 -6.645 4.818 -10.158 1.00 0.00 C ATOM 1141 CE2 PHE A 75 -7.090 3.355 -8.275 1.00 0.00 C ATOM 1142 CZ PHE A 75 -7.352 3.749 -9.593 1.00 0.00 C ATOM 0 H PHE A 75 -3.007 7.423 -5.931 1.00 0.00 H new ATOM 0 HA PHE A 75 -5.460 7.672 -7.396 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -3.536 6.118 -7.915 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -3.964 5.162 -6.510 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -5.131 6.315 -9.841 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -5.919 3.725 -6.506 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -6.847 5.123 -11.174 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -7.636 2.531 -7.839 1.00 0.00 H new ATOM 0 HZ PHE A 75 -8.099 3.229 -10.174 1.00 0.00 H new ATOM 1152 N VAL A 76 -5.621 6.100 -4.492 1.00 0.00 N ATOM 1153 CA VAL A 76 -6.586 5.650 -3.460 1.00 0.00 C ATOM 1154 C VAL A 76 -7.366 6.850 -2.919 1.00 0.00 C ATOM 1155 O VAL A 76 -8.558 6.778 -2.705 1.00 0.00 O ATOM 1156 CB VAL A 76 -5.816 4.985 -2.322 1.00 0.00 C ATOM 1157 CG1 VAL A 76 -6.762 4.728 -1.155 1.00 0.00 C ATOM 1158 CG2 VAL A 76 -5.234 3.656 -2.808 1.00 0.00 C ATOM 0 H VAL A 76 -4.639 5.970 -4.250 1.00 0.00 H new ATOM 0 HA VAL A 76 -7.288 4.941 -3.898 1.00 0.00 H new ATOM 0 HB VAL A 76 -5.006 5.639 -1.999 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -6.215 4.253 -0.341 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -7.178 5.674 -0.809 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.570 4.073 -1.479 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -4.684 3.181 -1.996 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -6.043 3.001 -3.130 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.560 3.838 -3.645 1.00 0.00 H new ATOM 1168 N VAL A 77 -6.705 7.953 -2.694 1.00 0.00 N ATOM 1169 CA VAL A 77 -7.410 9.148 -2.164 1.00 0.00 C ATOM 1170 C VAL A 77 -8.500 9.586 -3.142 1.00 0.00 C ATOM 1171 O VAL A 77 -9.590 9.951 -2.752 1.00 0.00 O ATOM 1172 CB VAL A 77 -6.398 10.280 -1.993 1.00 0.00 C ATOM 1173 CG1 VAL A 77 -7.134 11.563 -1.629 1.00 0.00 C ATOM 1174 CG2 VAL A 77 -5.412 9.924 -0.879 1.00 0.00 C ATOM 0 H VAL A 77 -5.705 8.075 -2.856 1.00 0.00 H new ATOM 0 HA VAL A 77 -7.869 8.907 -1.205 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.852 10.423 -2.925 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.415 12.373 -1.506 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -7.835 11.818 -2.423 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -7.679 11.418 -0.696 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.691 10.733 -0.759 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -5.955 9.780 0.055 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -4.886 9.005 -1.138 1.00 0.00 H new ATOM 1184 N GLY A 78 -8.208 9.561 -4.411 1.00 0.00 N ATOM 1185 CA GLY A 78 -9.216 9.985 -5.423 1.00 0.00 C ATOM 1186 C GLY A 78 -10.466 9.102 -5.350 1.00 0.00 C ATOM 1187 O GLY A 78 -11.562 9.553 -5.617 1.00 0.00 O ATOM 0 H GLY A 78 -7.310 9.264 -4.794 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -9.491 11.026 -5.255 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -8.782 9.927 -6.421 1.00 0.00 H new ATOM 1191 N ALA A 79 -10.315 7.847 -5.015 1.00 0.00 N ATOM 1192 CA ALA A 79 -11.507 6.948 -4.958 1.00 0.00 C ATOM 1193 C ALA A 79 -11.924 6.686 -3.509 1.00 0.00 C ATOM 1194 O ALA A 79 -13.084 6.788 -3.163 1.00 0.00 O ATOM 1195 CB ALA A 79 -11.168 5.618 -5.632 1.00 0.00 C ATOM 0 H ALA A 79 -9.425 7.408 -4.780 1.00 0.00 H new ATOM 0 HA ALA A 79 -12.334 7.434 -5.476 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -12.035 4.959 -5.593 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -10.895 5.796 -6.672 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.332 5.149 -5.112 1.00 0.00 H new ATOM 1201 N THR A 80 -10.993 6.341 -2.664 1.00 0.00 N ATOM 1202 CA THR A 80 -11.341 6.060 -1.239 1.00 0.00 C ATOM 1203 C THR A 80 -10.439 6.876 -0.313 1.00 0.00 C ATOM 1204 O THR A 80 -9.252 6.995 -0.536 1.00 0.00 O ATOM 1205 CB THR A 80 -11.146 4.571 -0.955 1.00 0.00 C ATOM 1206 OG1 THR A 80 -11.884 3.810 -1.900 1.00 0.00 O ATOM 1207 CG2 THR A 80 -11.636 4.249 0.457 1.00 0.00 C ATOM 0 H THR A 80 -10.005 6.241 -2.897 1.00 0.00 H new ATOM 0 HA THR A 80 -12.380 6.336 -1.061 1.00 0.00 H new ATOM 0 HB THR A 80 -10.088 4.322 -1.034 1.00 0.00 H new ATOM 0 HG1 THR A 80 -11.759 2.855 -1.720 1.00 0.00 H new ATOM 0 HG21 THR A 80 -11.496 3.187 0.657 1.00 0.00 H new ATOM 0 HG22 THR A 80 -11.068 4.833 1.181 1.00 0.00 H new ATOM 0 HG23 THR A 80 -12.694 4.498 0.541 1.00 0.00 H new ATOM 1215 N THR A 81 -10.993 7.433 0.730 1.00 0.00 N ATOM 1216 CA THR A 81 -10.169 8.235 1.673 1.00 0.00 C ATOM 1217 C THR A 81 -10.411 7.748 3.108 1.00 0.00 C ATOM 1218 O THR A 81 -11.259 8.264 3.808 1.00 0.00 O ATOM 1219 CB THR A 81 -10.577 9.705 1.557 1.00 0.00 C ATOM 1220 OG1 THR A 81 -10.012 10.441 2.634 1.00 0.00 O ATOM 1221 CG2 THR A 81 -12.102 9.819 1.603 1.00 0.00 C ATOM 0 H THR A 81 -11.983 7.366 0.968 1.00 0.00 H new ATOM 0 HA THR A 81 -9.112 8.123 1.430 1.00 0.00 H new ATOM 0 HB THR A 81 -10.213 10.108 0.612 1.00 0.00 H new ATOM 0 HG1 THR A 81 -9.043 10.295 2.657 1.00 0.00 H new ATOM 0 HG21 THR A 81 -12.391 10.867 1.520 1.00 0.00 H new ATOM 0 HG22 THR A 81 -12.534 9.257 0.775 1.00 0.00 H new ATOM 0 HG23 THR A 81 -12.469 9.415 2.546 1.00 0.00 H new