USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 528 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 157:sc= -0.413 (180deg=-0.617) USER MOD Single : A 1 MET N :NH3+ -163:sc= 0.839 (180deg=0.65) USER MOD Single : A 2 GLN : amide:sc= -0.0265 K(o=-0.026,f=-0.64) USER MOD Single : A 8 GLN : amide:sc= 0.122 X(o=0.12,f=-0.36) USER MOD Single : A 11 HIS : no HD1:sc= -0.661 K(o=-0.66,f=-3.7!) USER MOD Single : A 12 THR OG1 : rot -108:sc= 0.19 USER MOD Single : A 16 THR OG1 : rot -32:sc= 0.402 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 20 THR OG1 : rot -130:sc= -0.736 USER MOD Single : A 23 GLN : amide:sc= -0.0853 X(o=-0.085,f=-0.32) USER MOD Single : A 25 LYS NZ :NH3+ -167:sc= 0.156 (180deg=0.113) USER MOD Single : A 27 HIS : no HD1:sc= -0.583 K(o=-0.58,f=-1.6) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -1.7 K(o=-1.7,f=-3.7!) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.498 USER MOD Single : A 56 GLN : amide:sc= -0.0472 X(o=-0.047,f=-0.28) USER MOD Single : A 57 CYS SG : rot 78:sc= -0.384 USER MOD Single : A 63 THR OG1 : rot 104:sc= 0.13 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl 135:sc= -0.131 (180deg=-0.606) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.593 -0.331 0.313 1.00 0.00 N ATOM 2 CA MET A 1 2.154 -0.254 -1.053 1.00 0.00 C ATOM 3 C MET A 1 3.229 -1.334 -1.214 1.00 0.00 C ATOM 4 O MET A 1 4.362 -1.165 -0.760 1.00 0.00 O ATOM 5 CB MET A 1 2.728 1.171 -1.314 1.00 0.00 C ATOM 6 CG MET A 1 3.273 1.413 -2.726 1.00 0.00 C ATOM 7 SD MET A 1 3.836 3.110 -2.984 1.00 0.00 S ATOM 8 CE MET A 1 5.229 3.211 -1.862 1.00 0.00 C ATOM 0 H1 MET A 1 0.689 0.182 0.347 1.00 0.00 H new ATOM 0 H2 MET A 1 1.435 -1.327 0.568 1.00 0.00 H new ATOM 0 H3 MET A 1 2.260 0.097 0.987 1.00 0.00 H new ATOM 0 HA MET A 1 1.372 -0.433 -1.791 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.944 1.902 -1.116 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.528 1.359 -0.597 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.101 0.729 -2.912 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.497 1.179 -3.454 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.903 4.003 -2.189 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.871 3.432 -0.856 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.762 2.260 -1.857 1.00 0.00 H new ATOM 18 N GLN A 2 2.826 -2.475 -1.789 1.00 0.00 N ATOM 19 CA GLN A 2 3.707 -3.624 -2.055 1.00 0.00 C ATOM 20 C GLN A 2 4.574 -3.334 -3.287 1.00 0.00 C ATOM 21 O GLN A 2 4.040 -3.123 -4.377 1.00 0.00 O ATOM 22 CB GLN A 2 2.840 -4.891 -2.306 1.00 0.00 C ATOM 23 CG GLN A 2 3.627 -6.169 -2.661 1.00 0.00 C ATOM 24 CD GLN A 2 2.746 -7.343 -3.103 1.00 0.00 C ATOM 25 OE1 GLN A 2 1.667 -7.157 -3.666 1.00 0.00 O ATOM 26 NE2 GLN A 2 3.206 -8.560 -2.862 1.00 0.00 N ATOM 0 H GLN A 2 1.863 -2.630 -2.088 1.00 0.00 H new ATOM 0 HA GLN A 2 4.355 -3.794 -1.195 1.00 0.00 H new ATOM 0 HB2 GLN A 2 2.245 -5.087 -1.414 1.00 0.00 H new ATOM 0 HB3 GLN A 2 2.141 -4.678 -3.115 1.00 0.00 H new ATOM 0 HG2 GLN A 2 4.333 -5.938 -3.458 1.00 0.00 H new ATOM 0 HG3 GLN A 2 4.213 -6.475 -1.794 1.00 0.00 H new ATOM 0 HE21 GLN A 2 4.104 -8.682 -2.394 1.00 0.00 H new ATOM 0 HE22 GLN A 2 2.663 -9.376 -3.145 1.00 0.00 H new ATOM 35 N LEU A 3 5.906 -3.309 -3.104 1.00 0.00 N ATOM 36 CA LEU A 3 6.867 -3.156 -4.209 1.00 0.00 C ATOM 37 C LEU A 3 8.054 -4.121 -4.006 1.00 0.00 C ATOM 38 O LEU A 3 8.291 -4.602 -2.895 1.00 0.00 O ATOM 39 CB LEU A 3 7.305 -1.658 -4.353 1.00 0.00 C ATOM 40 CG LEU A 3 7.937 -0.922 -3.107 1.00 0.00 C ATOM 41 CD1 LEU A 3 9.407 -1.343 -2.837 1.00 0.00 C ATOM 42 CD2 LEU A 3 7.840 0.612 -3.277 1.00 0.00 C ATOM 0 H LEU A 3 6.345 -3.394 -2.187 1.00 0.00 H new ATOM 0 HA LEU A 3 6.394 -3.427 -5.153 1.00 0.00 H new ATOM 0 HB2 LEU A 3 8.026 -1.603 -5.168 1.00 0.00 H new ATOM 0 HB3 LEU A 3 6.429 -1.087 -4.663 1.00 0.00 H new ATOM 0 HG LEU A 3 7.356 -1.228 -2.237 1.00 0.00 H new ATOM 0 HD11 LEU A 3 9.786 -0.804 -1.969 1.00 0.00 H new ATOM 0 HD12 LEU A 3 9.449 -2.415 -2.645 1.00 0.00 H new ATOM 0 HD13 LEU A 3 10.019 -1.106 -3.707 1.00 0.00 H new ATOM 0 HD21 LEU A 3 8.280 1.103 -2.409 1.00 0.00 H new ATOM 0 HD22 LEU A 3 8.378 0.913 -4.176 1.00 0.00 H new ATOM 0 HD23 LEU A 3 6.793 0.903 -3.366 1.00 0.00 H new ATOM 54 N PHE A 4 8.795 -4.381 -5.090 1.00 0.00 N ATOM 55 CA PHE A 4 9.917 -5.349 -5.105 1.00 0.00 C ATOM 56 C PHE A 4 11.248 -4.608 -4.899 1.00 0.00 C ATOM 57 O PHE A 4 11.353 -3.421 -5.225 1.00 0.00 O ATOM 58 CB PHE A 4 9.930 -6.144 -6.445 1.00 0.00 C ATOM 59 CG PHE A 4 8.574 -6.742 -6.823 1.00 0.00 C ATOM 60 CD1 PHE A 4 8.189 -7.998 -6.355 1.00 0.00 C ATOM 61 CD2 PHE A 4 7.685 -6.048 -7.649 1.00 0.00 C ATOM 62 CE1 PHE A 4 6.962 -8.538 -6.695 1.00 0.00 C ATOM 63 CE2 PHE A 4 6.460 -6.589 -7.989 1.00 0.00 C ATOM 64 CZ PHE A 4 6.100 -7.837 -7.513 1.00 0.00 C ATOM 0 H PHE A 4 8.638 -3.927 -5.990 1.00 0.00 H new ATOM 0 HA PHE A 4 9.784 -6.060 -4.290 1.00 0.00 H new ATOM 0 HB2 PHE A 4 10.260 -5.482 -7.246 1.00 0.00 H new ATOM 0 HB3 PHE A 4 10.663 -6.947 -6.373 1.00 0.00 H new ATOM 0 HD1 PHE A 4 8.859 -8.557 -5.718 1.00 0.00 H new ATOM 0 HD2 PHE A 4 7.960 -5.074 -8.027 1.00 0.00 H new ATOM 0 HE1 PHE A 4 6.678 -9.510 -6.320 1.00 0.00 H new ATOM 0 HE2 PHE A 4 5.784 -6.038 -8.626 1.00 0.00 H new ATOM 0 HZ PHE A 4 5.144 -8.263 -7.782 1.00 0.00 H new ATOM 74 N VAL A 5 12.239 -5.320 -4.329 1.00 0.00 N ATOM 75 CA VAL A 5 13.603 -4.812 -4.081 1.00 0.00 C ATOM 76 C VAL A 5 14.605 -5.931 -4.457 1.00 0.00 C ATOM 77 O VAL A 5 14.783 -6.903 -3.712 1.00 0.00 O ATOM 78 CB VAL A 5 13.802 -4.361 -2.573 1.00 0.00 C ATOM 79 CG1 VAL A 5 15.249 -3.896 -2.306 1.00 0.00 C ATOM 80 CG2 VAL A 5 12.798 -3.251 -2.167 1.00 0.00 C ATOM 0 H VAL A 5 12.112 -6.284 -4.022 1.00 0.00 H new ATOM 0 HA VAL A 5 13.774 -3.926 -4.692 1.00 0.00 H new ATOM 0 HB VAL A 5 13.605 -5.238 -1.956 1.00 0.00 H new ATOM 0 HG11 VAL A 5 15.348 -3.595 -1.263 1.00 0.00 H new ATOM 0 HG12 VAL A 5 15.938 -4.714 -2.514 1.00 0.00 H new ATOM 0 HG13 VAL A 5 15.484 -3.050 -2.952 1.00 0.00 H new ATOM 0 HG21 VAL A 5 12.967 -2.970 -1.128 1.00 0.00 H new ATOM 0 HG22 VAL A 5 12.941 -2.380 -2.806 1.00 0.00 H new ATOM 0 HG23 VAL A 5 11.780 -3.622 -2.281 1.00 0.00 H new ATOM 90 N ARG A 6 15.220 -5.788 -5.649 1.00 0.00 N ATOM 91 CA ARG A 6 16.129 -6.784 -6.230 1.00 0.00 C ATOM 92 C ARG A 6 17.521 -6.756 -5.555 1.00 0.00 C ATOM 93 O ARG A 6 18.375 -5.932 -5.886 1.00 0.00 O ATOM 94 CB ARG A 6 16.238 -6.567 -7.775 1.00 0.00 C ATOM 95 CG ARG A 6 17.047 -7.654 -8.524 1.00 0.00 C ATOM 96 CD ARG A 6 16.935 -7.535 -10.060 1.00 0.00 C ATOM 97 NE ARG A 6 17.541 -6.304 -10.606 1.00 0.00 N ATOM 98 CZ ARG A 6 17.225 -5.754 -11.800 1.00 0.00 C ATOM 99 NH1 ARG A 6 16.202 -6.196 -12.517 1.00 0.00 N ATOM 100 NH2 ARG A 6 17.931 -4.746 -12.272 1.00 0.00 N ATOM 0 H ARG A 6 15.094 -4.965 -6.239 1.00 0.00 H new ATOM 0 HA ARG A 6 15.714 -7.775 -6.045 1.00 0.00 H new ATOM 0 HB2 ARG A 6 15.233 -6.527 -8.195 1.00 0.00 H new ATOM 0 HB3 ARG A 6 16.699 -5.597 -7.961 1.00 0.00 H new ATOM 0 HG2 ARG A 6 18.096 -7.583 -8.235 1.00 0.00 H new ATOM 0 HG3 ARG A 6 16.697 -8.639 -8.214 1.00 0.00 H new ATOM 0 HD2 ARG A 6 17.415 -8.400 -10.518 1.00 0.00 H new ATOM 0 HD3 ARG A 6 15.883 -7.567 -10.342 1.00 0.00 H new ATOM 0 HE ARG A 6 18.249 -5.835 -10.042 1.00 0.00 H new ATOM 0 HH11 ARG A 6 15.632 -6.968 -12.171 1.00 0.00 H new ATOM 0 HH12 ARG A 6 15.984 -5.764 -13.415 1.00 0.00 H new ATOM 0 HH21 ARG A 6 18.718 -4.379 -11.736 1.00 0.00 H new ATOM 0 HH22 ARG A 6 17.691 -4.333 -13.173 1.00 0.00 H new ATOM 114 N ALA A 7 17.682 -7.636 -4.564 1.00 0.00 N ATOM 115 CA ALA A 7 18.980 -8.018 -3.981 1.00 0.00 C ATOM 116 C ALA A 7 19.370 -9.399 -4.544 1.00 0.00 C ATOM 117 O ALA A 7 18.679 -9.909 -5.446 1.00 0.00 O ATOM 118 CB ALA A 7 18.901 -8.036 -2.444 1.00 0.00 C ATOM 0 H ALA A 7 16.895 -8.118 -4.130 1.00 0.00 H new ATOM 0 HA ALA A 7 19.744 -7.288 -4.248 1.00 0.00 H new ATOM 0 HB1 ALA A 7 19.870 -8.320 -2.033 1.00 0.00 H new ATOM 0 HB2 ALA A 7 18.630 -7.044 -2.082 1.00 0.00 H new ATOM 0 HB3 ALA A 7 18.147 -8.756 -2.127 1.00 0.00 H new ATOM 124 N GLN A 8 20.508 -9.968 -4.073 1.00 0.00 N ATOM 125 CA GLN A 8 20.913 -11.375 -4.374 1.00 0.00 C ATOM 126 C GLN A 8 19.728 -12.373 -4.219 1.00 0.00 C ATOM 127 O GLN A 8 19.650 -13.382 -4.929 1.00 0.00 O ATOM 128 CB GLN A 8 22.123 -11.805 -3.494 1.00 0.00 C ATOM 129 CG GLN A 8 21.861 -11.787 -1.972 1.00 0.00 C ATOM 130 CD GLN A 8 23.065 -12.224 -1.124 1.00 0.00 C ATOM 131 OE1 GLN A 8 23.897 -13.025 -1.553 1.00 0.00 O ATOM 132 NE2 GLN A 8 23.152 -11.717 0.092 1.00 0.00 N ATOM 0 H GLN A 8 21.171 -9.472 -3.477 1.00 0.00 H new ATOM 0 HA GLN A 8 21.220 -11.404 -5.419 1.00 0.00 H new ATOM 0 HB2 GLN A 8 22.425 -12.812 -3.784 1.00 0.00 H new ATOM 0 HB3 GLN A 8 22.963 -11.146 -3.711 1.00 0.00 H new ATOM 0 HG2 GLN A 8 21.568 -10.780 -1.676 1.00 0.00 H new ATOM 0 HG3 GLN A 8 21.018 -12.442 -1.751 1.00 0.00 H new ATOM 0 HE21 GLN A 8 22.448 -11.056 0.420 1.00 0.00 H new ATOM 0 HE22 GLN A 8 23.923 -11.987 0.703 1.00 0.00 H new ATOM 141 N GLU A 9 18.812 -12.062 -3.294 1.00 0.00 N ATOM 142 CA GLU A 9 17.464 -12.658 -3.244 1.00 0.00 C ATOM 143 C GLU A 9 16.435 -11.531 -3.517 1.00 0.00 C ATOM 144 O GLU A 9 16.584 -10.406 -3.007 1.00 0.00 O ATOM 145 CB GLU A 9 17.196 -13.329 -1.869 1.00 0.00 C ATOM 146 CG GLU A 9 17.346 -12.392 -0.649 1.00 0.00 C ATOM 147 CD GLU A 9 16.896 -13.051 0.667 1.00 0.00 C ATOM 148 OE1 GLU A 9 17.722 -13.704 1.341 1.00 0.00 O ATOM 149 OE2 GLU A 9 15.699 -12.938 1.011 1.00 0.00 O ATOM 0 H GLU A 9 18.983 -11.384 -2.551 1.00 0.00 H new ATOM 0 HA GLU A 9 17.377 -13.440 -3.999 1.00 0.00 H new ATOM 0 HB2 GLU A 9 16.186 -13.740 -1.872 1.00 0.00 H new ATOM 0 HB3 GLU A 9 17.881 -14.168 -1.751 1.00 0.00 H new ATOM 0 HG2 GLU A 9 18.388 -12.085 -0.559 1.00 0.00 H new ATOM 0 HG3 GLU A 9 16.760 -11.488 -0.816 1.00 0.00 H new ATOM 156 N LEU A 10 15.414 -11.823 -4.338 1.00 0.00 N ATOM 157 CA LEU A 10 14.348 -10.860 -4.662 1.00 0.00 C ATOM 158 C LEU A 10 13.458 -10.673 -3.416 1.00 0.00 C ATOM 159 O LEU A 10 12.797 -11.615 -2.964 1.00 0.00 O ATOM 160 CB LEU A 10 13.524 -11.346 -5.915 1.00 0.00 C ATOM 161 CG LEU A 10 12.446 -10.368 -6.550 1.00 0.00 C ATOM 162 CD1 LEU A 10 11.112 -10.349 -5.764 1.00 0.00 C ATOM 163 CD2 LEU A 10 13.012 -8.936 -6.713 1.00 0.00 C ATOM 0 H LEU A 10 15.304 -12.729 -4.794 1.00 0.00 H new ATOM 0 HA LEU A 10 14.779 -9.895 -4.929 1.00 0.00 H new ATOM 0 HB2 LEU A 10 14.237 -11.604 -6.698 1.00 0.00 H new ATOM 0 HB3 LEU A 10 13.010 -12.266 -5.635 1.00 0.00 H new ATOM 0 HG LEU A 10 12.220 -10.764 -7.540 1.00 0.00 H new ATOM 0 HD11 LEU A 10 10.416 -9.663 -6.246 1.00 0.00 H new ATOM 0 HD12 LEU A 10 10.683 -11.351 -5.751 1.00 0.00 H new ATOM 0 HD13 LEU A 10 11.297 -10.020 -4.742 1.00 0.00 H new ATOM 0 HD21 LEU A 10 12.250 -8.291 -7.150 1.00 0.00 H new ATOM 0 HD22 LEU A 10 13.301 -8.546 -5.737 1.00 0.00 H new ATOM 0 HD23 LEU A 10 13.884 -8.962 -7.367 1.00 0.00 H new ATOM 175 N HIS A 11 13.495 -9.459 -2.848 1.00 0.00 N ATOM 176 CA HIS A 11 12.638 -9.060 -1.717 1.00 0.00 C ATOM 177 C HIS A 11 11.354 -8.416 -2.251 1.00 0.00 C ATOM 178 O HIS A 11 11.328 -7.907 -3.369 1.00 0.00 O ATOM 179 CB HIS A 11 13.367 -8.044 -0.796 1.00 0.00 C ATOM 180 CG HIS A 11 14.587 -8.586 -0.092 1.00 0.00 C ATOM 181 ND1 HIS A 11 14.541 -9.197 1.147 1.00 0.00 N ATOM 182 CD2 HIS A 11 15.897 -8.580 -0.445 1.00 0.00 C ATOM 183 CE1 HIS A 11 15.762 -9.528 1.518 1.00 0.00 C ATOM 184 NE2 HIS A 11 16.594 -9.168 0.568 1.00 0.00 N ATOM 0 H HIS A 11 14.124 -8.720 -3.161 1.00 0.00 H new ATOM 0 HA HIS A 11 12.402 -9.952 -1.137 1.00 0.00 H new ATOM 0 HB2 HIS A 11 13.663 -7.182 -1.393 1.00 0.00 H new ATOM 0 HB3 HIS A 11 12.662 -7.685 -0.046 1.00 0.00 H new ATOM 0 HD2 HIS A 11 16.311 -8.183 -1.360 1.00 0.00 H new ATOM 0 HE1 HIS A 11 16.032 -10.012 2.445 1.00 0.00 H new ATOM 0 HE2 HIS A 11 17.604 -9.307 0.585 1.00 0.00 H new ATOM 193 N THR A 12 10.293 -8.459 -1.440 1.00 0.00 N ATOM 194 CA THR A 12 9.027 -7.772 -1.719 1.00 0.00 C ATOM 195 C THR A 12 8.490 -7.214 -0.391 1.00 0.00 C ATOM 196 O THR A 12 8.186 -7.987 0.525 1.00 0.00 O ATOM 197 CB THR A 12 7.978 -8.740 -2.366 1.00 0.00 C ATOM 198 OG1 THR A 12 8.562 -9.412 -3.488 1.00 0.00 O ATOM 199 CG2 THR A 12 6.721 -7.991 -2.836 1.00 0.00 C ATOM 0 H THR A 12 10.288 -8.977 -0.561 1.00 0.00 H new ATOM 0 HA THR A 12 9.200 -6.967 -2.433 1.00 0.00 H new ATOM 0 HB THR A 12 7.685 -9.459 -1.601 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.175 -9.061 -4.317 1.00 0.00 H new ATOM 0 HG21 THR A 12 6.020 -8.699 -3.278 1.00 0.00 H new ATOM 0 HG22 THR A 12 6.251 -7.499 -1.985 1.00 0.00 H new ATOM 0 HG23 THR A 12 6.999 -7.244 -3.579 1.00 0.00 H new ATOM 207 N PHE A 13 8.402 -5.875 -0.278 1.00 0.00 N ATOM 208 CA PHE A 13 8.036 -5.186 0.980 1.00 0.00 C ATOM 209 C PHE A 13 6.717 -4.429 0.815 1.00 0.00 C ATOM 210 O PHE A 13 6.501 -3.755 -0.199 1.00 0.00 O ATOM 211 CB PHE A 13 9.150 -4.193 1.423 1.00 0.00 C ATOM 212 CG PHE A 13 10.482 -4.853 1.760 1.00 0.00 C ATOM 213 CD1 PHE A 13 10.550 -5.864 2.723 1.00 0.00 C ATOM 214 CD2 PHE A 13 11.658 -4.483 1.114 1.00 0.00 C ATOM 215 CE1 PHE A 13 11.750 -6.468 3.029 1.00 0.00 C ATOM 216 CE2 PHE A 13 12.856 -5.092 1.422 1.00 0.00 C ATOM 217 CZ PHE A 13 12.903 -6.088 2.378 1.00 0.00 C ATOM 0 H PHE A 13 8.582 -5.238 -1.054 1.00 0.00 H new ATOM 0 HA PHE A 13 7.921 -5.949 1.750 1.00 0.00 H new ATOM 0 HB2 PHE A 13 9.310 -3.466 0.627 1.00 0.00 H new ATOM 0 HB3 PHE A 13 8.801 -3.640 2.295 1.00 0.00 H new ATOM 0 HD1 PHE A 13 9.651 -6.176 3.234 1.00 0.00 H new ATOM 0 HD2 PHE A 13 11.632 -3.709 0.362 1.00 0.00 H new ATOM 0 HE1 PHE A 13 11.787 -7.242 3.782 1.00 0.00 H new ATOM 0 HE2 PHE A 13 13.760 -4.790 0.914 1.00 0.00 H new ATOM 0 HZ PHE A 13 13.841 -6.568 2.614 1.00 0.00 H new ATOM 227 N GLU A 14 5.819 -4.564 1.804 1.00 0.00 N ATOM 228 CA GLU A 14 4.647 -3.685 1.921 1.00 0.00 C ATOM 229 C GLU A 14 5.047 -2.461 2.774 1.00 0.00 C ATOM 230 O GLU A 14 5.219 -2.547 3.995 1.00 0.00 O ATOM 231 CB GLU A 14 3.427 -4.455 2.515 1.00 0.00 C ATOM 232 CG GLU A 14 3.672 -5.134 3.876 1.00 0.00 C ATOM 233 CD GLU A 14 2.466 -5.954 4.357 1.00 0.00 C ATOM 234 OE1 GLU A 14 1.585 -5.404 5.056 1.00 0.00 O ATOM 235 OE2 GLU A 14 2.392 -7.155 4.032 1.00 0.00 O ATOM 0 H GLU A 14 5.883 -5.274 2.534 1.00 0.00 H new ATOM 0 HA GLU A 14 4.330 -3.340 0.937 1.00 0.00 H new ATOM 0 HB2 GLU A 14 2.596 -3.758 2.620 1.00 0.00 H new ATOM 0 HB3 GLU A 14 3.116 -5.216 1.799 1.00 0.00 H new ATOM 0 HG2 GLU A 14 4.542 -5.786 3.800 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.908 -4.373 4.620 1.00 0.00 H new ATOM 242 N VAL A 15 5.264 -1.334 2.096 1.00 0.00 N ATOM 243 CA VAL A 15 5.671 -0.060 2.715 1.00 0.00 C ATOM 244 C VAL A 15 4.527 0.952 2.586 1.00 0.00 C ATOM 245 O VAL A 15 3.833 0.975 1.573 1.00 0.00 O ATOM 246 CB VAL A 15 6.993 0.496 2.045 1.00 0.00 C ATOM 247 CG1 VAL A 15 8.203 -0.414 2.379 1.00 0.00 C ATOM 248 CG2 VAL A 15 6.842 0.664 0.511 1.00 0.00 C ATOM 0 H VAL A 15 5.162 -1.274 1.083 1.00 0.00 H new ATOM 0 HA VAL A 15 5.884 -0.227 3.771 1.00 0.00 H new ATOM 0 HB VAL A 15 7.174 1.486 2.463 1.00 0.00 H new ATOM 0 HG11 VAL A 15 9.101 -0.013 1.908 1.00 0.00 H new ATOM 0 HG12 VAL A 15 8.344 -0.449 3.459 1.00 0.00 H new ATOM 0 HG13 VAL A 15 8.016 -1.420 2.005 1.00 0.00 H new ATOM 0 HG21 VAL A 15 7.773 1.048 0.094 1.00 0.00 H new ATOM 0 HG22 VAL A 15 6.613 -0.302 0.060 1.00 0.00 H new ATOM 0 HG23 VAL A 15 6.034 1.364 0.299 1.00 0.00 H new ATOM 258 N THR A 16 4.307 1.773 3.625 1.00 0.00 N ATOM 259 CA THR A 16 3.231 2.783 3.618 1.00 0.00 C ATOM 260 C THR A 16 3.752 4.139 3.076 1.00 0.00 C ATOM 261 O THR A 16 3.025 5.137 3.073 1.00 0.00 O ATOM 262 CB THR A 16 2.574 2.923 5.040 1.00 0.00 C ATOM 263 OG1 THR A 16 1.410 3.771 4.987 1.00 0.00 O ATOM 264 CG2 THR A 16 3.547 3.463 6.089 1.00 0.00 C ATOM 0 H THR A 16 4.859 1.759 4.482 1.00 0.00 H new ATOM 0 HA THR A 16 2.447 2.445 2.941 1.00 0.00 H new ATOM 0 HB THR A 16 2.283 1.917 5.341 1.00 0.00 H new ATOM 0 HG1 THR A 16 1.536 4.457 4.298 1.00 0.00 H new ATOM 0 HG21 THR A 16 3.040 3.539 7.051 1.00 0.00 H new ATOM 0 HG22 THR A 16 4.397 2.787 6.179 1.00 0.00 H new ATOM 0 HG23 THR A 16 3.899 4.449 5.786 1.00 0.00 H new ATOM 272 N GLY A 17 5.023 4.153 2.601 1.00 0.00 N ATOM 273 CA GLY A 17 5.588 5.306 1.895 1.00 0.00 C ATOM 274 C GLY A 17 6.496 6.165 2.764 1.00 0.00 C ATOM 275 O GLY A 17 7.388 6.833 2.241 1.00 0.00 O ATOM 0 H GLY A 17 5.669 3.370 2.700 1.00 0.00 H new ATOM 0 HA2 GLY A 17 6.152 4.953 1.032 1.00 0.00 H new ATOM 0 HA3 GLY A 17 4.774 5.923 1.513 1.00 0.00 H new ATOM 279 N GLN A 18 6.269 6.136 4.093 1.00 0.00 N ATOM 280 CA GLN A 18 6.994 7.004 5.053 1.00 0.00 C ATOM 281 C GLN A 18 8.388 6.445 5.397 1.00 0.00 C ATOM 282 O GLN A 18 9.210 7.147 5.991 1.00 0.00 O ATOM 283 CB GLN A 18 6.177 7.188 6.357 1.00 0.00 C ATOM 284 CG GLN A 18 6.012 5.896 7.188 1.00 0.00 C ATOM 285 CD GLN A 18 5.195 6.074 8.469 1.00 0.00 C ATOM 286 OE1 GLN A 18 4.309 6.924 8.549 1.00 0.00 O ATOM 287 NE2 GLN A 18 5.472 5.261 9.472 1.00 0.00 N ATOM 0 H GLN A 18 5.586 5.518 4.531 1.00 0.00 H new ATOM 0 HA GLN A 18 7.124 7.971 4.566 1.00 0.00 H new ATOM 0 HB2 GLN A 18 6.663 7.944 6.974 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.189 7.572 6.103 1.00 0.00 H new ATOM 0 HG2 GLN A 18 5.534 5.137 6.568 1.00 0.00 H new ATOM 0 HG3 GLN A 18 7.000 5.517 7.450 1.00 0.00 H new ATOM 0 HE21 GLN A 18 6.213 4.566 9.376 1.00 0.00 H new ATOM 0 HE22 GLN A 18 4.945 5.328 10.343 1.00 0.00 H new ATOM 296 N GLU A 19 8.619 5.171 5.048 1.00 0.00 N ATOM 297 CA GLU A 19 9.911 4.501 5.248 1.00 0.00 C ATOM 298 C GLU A 19 10.949 5.188 4.362 1.00 0.00 C ATOM 299 O GLU A 19 10.688 5.432 3.184 1.00 0.00 O ATOM 300 CB GLU A 19 9.835 2.982 4.879 1.00 0.00 C ATOM 301 CG GLU A 19 8.893 2.112 5.747 1.00 0.00 C ATOM 302 CD GLU A 19 7.388 2.439 5.608 1.00 0.00 C ATOM 303 OE1 GLU A 19 6.928 2.784 4.493 1.00 0.00 O ATOM 304 OE2 GLU A 19 6.654 2.330 6.605 1.00 0.00 O ATOM 0 H GLU A 19 7.912 4.575 4.618 1.00 0.00 H new ATOM 0 HA GLU A 19 10.186 4.573 6.300 1.00 0.00 H new ATOM 0 HB2 GLU A 19 9.518 2.898 3.840 1.00 0.00 H new ATOM 0 HB3 GLU A 19 10.840 2.564 4.940 1.00 0.00 H new ATOM 0 HG2 GLU A 19 9.047 1.065 5.486 1.00 0.00 H new ATOM 0 HG3 GLU A 19 9.179 2.226 6.793 1.00 0.00 H new ATOM 311 N THR A 20 12.091 5.544 4.939 1.00 0.00 N ATOM 312 CA THR A 20 13.194 6.105 4.173 1.00 0.00 C ATOM 313 C THR A 20 13.897 4.999 3.377 1.00 0.00 C ATOM 314 O THR A 20 13.652 3.805 3.586 1.00 0.00 O ATOM 315 CB THR A 20 14.204 6.851 5.103 1.00 0.00 C ATOM 316 OG1 THR A 20 14.733 5.944 6.085 1.00 0.00 O ATOM 317 CG2 THR A 20 13.549 8.065 5.796 1.00 0.00 C ATOM 0 H THR A 20 12.276 5.453 5.938 1.00 0.00 H new ATOM 0 HA THR A 20 12.791 6.837 3.473 1.00 0.00 H new ATOM 0 HB THR A 20 15.018 7.224 4.481 1.00 0.00 H new ATOM 0 HG1 THR A 20 14.655 6.345 6.976 1.00 0.00 H new ATOM 0 HG21 THR A 20 14.282 8.559 6.434 1.00 0.00 H new ATOM 0 HG22 THR A 20 13.194 8.767 5.041 1.00 0.00 H new ATOM 0 HG23 THR A 20 12.708 7.728 6.402 1.00 0.00 H new ATOM 325 N VAL A 21 14.772 5.410 2.460 1.00 0.00 N ATOM 326 CA VAL A 21 15.634 4.487 1.712 1.00 0.00 C ATOM 327 C VAL A 21 16.621 3.814 2.694 1.00 0.00 C ATOM 328 O VAL A 21 16.990 2.657 2.503 1.00 0.00 O ATOM 329 CB VAL A 21 16.358 5.244 0.533 1.00 0.00 C ATOM 330 CG1 VAL A 21 17.539 4.448 -0.064 1.00 0.00 C ATOM 331 CG2 VAL A 21 15.337 5.621 -0.574 1.00 0.00 C ATOM 0 H VAL A 21 14.906 6.391 2.213 1.00 0.00 H new ATOM 0 HA VAL A 21 15.038 3.701 1.248 1.00 0.00 H new ATOM 0 HB VAL A 21 16.783 6.153 0.958 1.00 0.00 H new ATOM 0 HG11 VAL A 21 17.995 5.023 -0.870 1.00 0.00 H new ATOM 0 HG12 VAL A 21 18.281 4.261 0.712 1.00 0.00 H new ATOM 0 HG13 VAL A 21 17.176 3.498 -0.456 1.00 0.00 H new ATOM 0 HG21 VAL A 21 15.851 6.143 -1.381 1.00 0.00 H new ATOM 0 HG22 VAL A 21 14.873 4.715 -0.965 1.00 0.00 H new ATOM 0 HG23 VAL A 21 14.568 6.270 -0.154 1.00 0.00 H new ATOM 341 N ALA A 22 16.967 4.535 3.784 1.00 0.00 N ATOM 342 CA ALA A 22 17.743 3.990 4.912 1.00 0.00 C ATOM 343 C ALA A 22 16.969 2.844 5.599 1.00 0.00 C ATOM 344 O ALA A 22 17.558 1.816 5.925 1.00 0.00 O ATOM 345 CB ALA A 22 18.063 5.100 5.929 1.00 0.00 C ATOM 0 H ALA A 22 16.713 5.516 3.903 1.00 0.00 H new ATOM 0 HA ALA A 22 18.680 3.591 4.523 1.00 0.00 H new ATOM 0 HB1 ALA A 22 18.636 4.681 6.756 1.00 0.00 H new ATOM 0 HB2 ALA A 22 18.646 5.882 5.443 1.00 0.00 H new ATOM 0 HB3 ALA A 22 17.134 5.524 6.310 1.00 0.00 H new ATOM 351 N GLN A 23 15.635 3.029 5.781 1.00 0.00 N ATOM 352 CA GLN A 23 14.750 1.991 6.369 1.00 0.00 C ATOM 353 C GLN A 23 14.618 0.783 5.432 1.00 0.00 C ATOM 354 O GLN A 23 14.577 -0.346 5.902 1.00 0.00 O ATOM 355 CB GLN A 23 13.341 2.560 6.743 1.00 0.00 C ATOM 356 CG GLN A 23 13.356 3.589 7.898 1.00 0.00 C ATOM 357 CD GLN A 23 13.867 3.022 9.240 1.00 0.00 C ATOM 358 OE1 GLN A 23 13.710 1.837 9.540 1.00 0.00 O ATOM 359 NE2 GLN A 23 14.473 3.866 10.057 1.00 0.00 N ATOM 0 H GLN A 23 15.149 3.889 5.528 1.00 0.00 H new ATOM 0 HA GLN A 23 15.221 1.659 7.294 1.00 0.00 H new ATOM 0 HB2 GLN A 23 12.905 3.028 5.860 1.00 0.00 H new ATOM 0 HB3 GLN A 23 12.689 1.731 7.019 1.00 0.00 H new ATOM 0 HG2 GLN A 23 13.983 4.433 7.610 1.00 0.00 H new ATOM 0 HG3 GLN A 23 12.347 3.975 8.040 1.00 0.00 H new ATOM 0 HE21 GLN A 23 14.591 4.842 9.786 1.00 0.00 H new ATOM 0 HE22 GLN A 23 14.823 3.541 10.958 1.00 0.00 H new ATOM 368 N ILE A 24 14.577 1.033 4.107 1.00 0.00 N ATOM 369 CA ILE A 24 14.559 -0.037 3.075 1.00 0.00 C ATOM 370 C ILE A 24 15.827 -0.906 3.188 1.00 0.00 C ATOM 371 O ILE A 24 15.729 -2.137 3.237 1.00 0.00 O ATOM 372 CB ILE A 24 14.415 0.552 1.608 1.00 0.00 C ATOM 373 CG1 ILE A 24 13.032 1.266 1.420 1.00 0.00 C ATOM 374 CG2 ILE A 24 14.627 -0.534 0.511 1.00 0.00 C ATOM 375 CD1 ILE A 24 11.818 0.357 1.599 1.00 0.00 C ATOM 0 H ILE A 24 14.555 1.976 3.719 1.00 0.00 H new ATOM 0 HA ILE A 24 13.682 -0.658 3.260 1.00 0.00 H new ATOM 0 HB ILE A 24 15.206 1.292 1.487 1.00 0.00 H new ATOM 0 HG12 ILE A 24 12.962 2.088 2.133 1.00 0.00 H new ATOM 0 HG13 ILE A 24 12.997 1.705 0.423 1.00 0.00 H new ATOM 0 HG21 ILE A 24 14.518 -0.082 -0.475 1.00 0.00 H new ATOM 0 HG22 ILE A 24 15.626 -0.958 0.607 1.00 0.00 H new ATOM 0 HG23 ILE A 24 13.885 -1.323 0.632 1.00 0.00 H new ATOM 0 HD11 ILE A 24 10.906 0.935 1.451 1.00 0.00 H new ATOM 0 HD12 ILE A 24 11.858 -0.451 0.869 1.00 0.00 H new ATOM 0 HD13 ILE A 24 11.823 -0.062 2.605 1.00 0.00 H new ATOM 387 N LYS A 25 17.007 -0.240 3.277 1.00 0.00 N ATOM 388 CA LYS A 25 18.311 -0.913 3.470 1.00 0.00 C ATOM 389 C LYS A 25 18.321 -1.716 4.783 1.00 0.00 C ATOM 390 O LYS A 25 18.818 -2.834 4.828 1.00 0.00 O ATOM 391 CB LYS A 25 19.468 0.117 3.521 1.00 0.00 C ATOM 392 CG LYS A 25 19.641 0.982 2.260 1.00 0.00 C ATOM 393 CD LYS A 25 20.762 2.036 2.436 1.00 0.00 C ATOM 394 CE LYS A 25 20.851 3.032 1.273 1.00 0.00 C ATOM 395 NZ LYS A 25 22.036 3.930 1.398 1.00 0.00 N ATOM 0 H LYS A 25 17.078 0.776 3.217 1.00 0.00 H new ATOM 0 HA LYS A 25 18.455 -1.583 2.622 1.00 0.00 H new ATOM 0 HB2 LYS A 25 19.307 0.777 4.374 1.00 0.00 H new ATOM 0 HB3 LYS A 25 20.400 -0.418 3.704 1.00 0.00 H new ATOM 0 HG2 LYS A 25 19.874 0.342 1.409 1.00 0.00 H new ATOM 0 HG3 LYS A 25 18.701 1.485 2.032 1.00 0.00 H new ATOM 0 HD2 LYS A 25 20.592 2.585 3.362 1.00 0.00 H new ATOM 0 HD3 LYS A 25 21.719 1.524 2.540 1.00 0.00 H new ATOM 0 HE2 LYS A 25 20.907 2.486 0.331 1.00 0.00 H new ATOM 0 HE3 LYS A 25 19.942 3.633 1.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 21.945 4.721 0.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 22.089 4.302 2.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 22.902 3.394 1.185 1.00 0.00 H new ATOM 409 N ALA A 26 17.771 -1.087 5.844 1.00 0.00 N ATOM 410 CA ALA A 26 17.663 -1.659 7.202 1.00 0.00 C ATOM 411 C ALA A 26 16.849 -2.968 7.206 1.00 0.00 C ATOM 412 O ALA A 26 17.271 -3.947 7.810 1.00 0.00 O ATOM 413 CB ALA A 26 17.032 -0.631 8.163 1.00 0.00 C ATOM 0 H ALA A 26 17.381 -0.147 5.778 1.00 0.00 H new ATOM 0 HA ALA A 26 18.670 -1.897 7.544 1.00 0.00 H new ATOM 0 HB1 ALA A 26 16.957 -1.064 9.161 1.00 0.00 H new ATOM 0 HB2 ALA A 26 17.655 0.262 8.201 1.00 0.00 H new ATOM 0 HB3 ALA A 26 16.037 -0.364 7.808 1.00 0.00 H new ATOM 419 N HIS A 27 15.691 -2.964 6.501 1.00 0.00 N ATOM 420 CA HIS A 27 14.803 -4.142 6.377 1.00 0.00 C ATOM 421 C HIS A 27 15.540 -5.300 5.681 1.00 0.00 C ATOM 422 O HIS A 27 15.551 -6.423 6.193 1.00 0.00 O ATOM 423 CB HIS A 27 13.491 -3.782 5.612 1.00 0.00 C ATOM 424 CG HIS A 27 12.566 -2.868 6.386 1.00 0.00 C ATOM 425 ND1 HIS A 27 12.185 -1.623 5.937 1.00 0.00 N ATOM 426 CD2 HIS A 27 11.940 -3.034 7.582 1.00 0.00 C ATOM 427 CE1 HIS A 27 11.379 -1.064 6.819 1.00 0.00 C ATOM 428 NE2 HIS A 27 11.220 -1.899 7.823 1.00 0.00 N ATOM 0 H HIS A 27 15.348 -2.143 6.003 1.00 0.00 H new ATOM 0 HA HIS A 27 14.525 -4.462 7.381 1.00 0.00 H new ATOM 0 HB2 HIS A 27 13.751 -3.305 4.667 1.00 0.00 H new ATOM 0 HB3 HIS A 27 12.959 -4.702 5.369 1.00 0.00 H new ATOM 0 HD2 HIS A 27 12.001 -3.902 8.222 1.00 0.00 H new ATOM 0 HE1 HIS A 27 10.927 -0.087 6.732 1.00 0.00 H new ATOM 0 HE2 HIS A 27 10.649 -1.726 8.650 1.00 0.00 H new ATOM 437 N VAL A 28 16.216 -4.981 4.551 1.00 0.00 N ATOM 438 CA VAL A 28 16.990 -5.971 3.760 1.00 0.00 C ATOM 439 C VAL A 28 18.159 -6.540 4.606 1.00 0.00 C ATOM 440 O VAL A 28 18.419 -7.748 4.591 1.00 0.00 O ATOM 441 CB VAL A 28 17.546 -5.333 2.425 1.00 0.00 C ATOM 442 CG1 VAL A 28 18.379 -6.347 1.608 1.00 0.00 C ATOM 443 CG2 VAL A 28 16.404 -4.756 1.560 1.00 0.00 C ATOM 0 H VAL A 28 16.241 -4.038 4.164 1.00 0.00 H new ATOM 0 HA VAL A 28 16.315 -6.784 3.490 1.00 0.00 H new ATOM 0 HB VAL A 28 18.205 -4.515 2.716 1.00 0.00 H new ATOM 0 HG11 VAL A 28 18.743 -5.870 0.698 1.00 0.00 H new ATOM 0 HG12 VAL A 28 19.226 -6.686 2.204 1.00 0.00 H new ATOM 0 HG13 VAL A 28 17.756 -7.202 1.345 1.00 0.00 H new ATOM 0 HG21 VAL A 28 16.820 -4.325 0.649 1.00 0.00 H new ATOM 0 HG22 VAL A 28 15.707 -5.552 1.299 1.00 0.00 H new ATOM 0 HG23 VAL A 28 15.878 -3.983 2.120 1.00 0.00 H new ATOM 453 N ALA A 29 18.809 -5.640 5.372 1.00 0.00 N ATOM 454 CA ALA A 29 19.963 -5.949 6.234 1.00 0.00 C ATOM 455 C ALA A 29 19.569 -6.793 7.451 1.00 0.00 C ATOM 456 O ALA A 29 20.359 -7.608 7.914 1.00 0.00 O ATOM 457 CB ALA A 29 20.637 -4.644 6.692 1.00 0.00 C ATOM 0 H ALA A 29 18.538 -4.657 5.408 1.00 0.00 H new ATOM 0 HA ALA A 29 20.664 -6.539 5.644 1.00 0.00 H new ATOM 0 HB1 ALA A 29 21.490 -4.879 7.329 1.00 0.00 H new ATOM 0 HB2 ALA A 29 20.978 -4.085 5.820 1.00 0.00 H new ATOM 0 HB3 ALA A 29 19.921 -4.042 7.251 1.00 0.00 H new ATOM 463 N SER A 30 18.352 -6.574 7.967 1.00 0.00 N ATOM 464 CA SER A 30 17.814 -7.314 9.118 1.00 0.00 C ATOM 465 C SER A 30 17.495 -8.760 8.725 1.00 0.00 C ATOM 466 O SER A 30 17.714 -9.686 9.512 1.00 0.00 O ATOM 467 CB SER A 30 16.552 -6.609 9.663 1.00 0.00 C ATOM 468 OG SER A 30 16.107 -7.196 10.883 1.00 0.00 O ATOM 0 H SER A 30 17.709 -5.875 7.596 1.00 0.00 H new ATOM 0 HA SER A 30 18.569 -7.332 9.904 1.00 0.00 H new ATOM 0 HB2 SER A 30 16.766 -5.552 9.824 1.00 0.00 H new ATOM 0 HB3 SER A 30 15.755 -6.663 8.921 1.00 0.00 H new ATOM 0 HG SER A 30 15.308 -6.725 11.200 1.00 0.00 H new ATOM 474 N LEU A 31 16.981 -8.939 7.500 1.00 0.00 N ATOM 475 CA LEU A 31 16.626 -10.262 6.973 1.00 0.00 C ATOM 476 C LEU A 31 17.884 -11.078 6.628 1.00 0.00 C ATOM 477 O LEU A 31 18.037 -12.218 7.082 1.00 0.00 O ATOM 478 CB LEU A 31 15.712 -10.104 5.734 1.00 0.00 C ATOM 479 CG LEU A 31 14.353 -9.378 5.991 1.00 0.00 C ATOM 480 CD1 LEU A 31 13.560 -9.204 4.681 1.00 0.00 C ATOM 481 CD2 LEU A 31 13.510 -10.108 7.071 1.00 0.00 C ATOM 0 H LEU A 31 16.801 -8.174 6.850 1.00 0.00 H new ATOM 0 HA LEU A 31 16.083 -10.810 7.743 1.00 0.00 H new ATOM 0 HB2 LEU A 31 16.259 -9.554 4.968 1.00 0.00 H new ATOM 0 HB3 LEU A 31 15.504 -11.094 5.328 1.00 0.00 H new ATOM 0 HG LEU A 31 14.580 -8.384 6.376 1.00 0.00 H new ATOM 0 HD11 LEU A 31 12.619 -8.696 4.890 1.00 0.00 H new ATOM 0 HD12 LEU A 31 14.144 -8.610 3.978 1.00 0.00 H new ATOM 0 HD13 LEU A 31 13.355 -10.183 4.247 1.00 0.00 H new ATOM 0 HD21 LEU A 31 12.572 -9.574 7.223 1.00 0.00 H new ATOM 0 HD22 LEU A 31 13.299 -11.125 6.742 1.00 0.00 H new ATOM 0 HD23 LEU A 31 14.066 -10.138 8.008 1.00 0.00 H new ATOM 493 N GLU A 32 18.787 -10.470 5.840 1.00 0.00 N ATOM 494 CA GLU A 32 19.962 -11.171 5.287 1.00 0.00 C ATOM 495 C GLU A 32 21.161 -11.161 6.247 1.00 0.00 C ATOM 496 O GLU A 32 22.075 -11.977 6.101 1.00 0.00 O ATOM 497 CB GLU A 32 20.363 -10.559 3.923 1.00 0.00 C ATOM 498 CG GLU A 32 19.241 -10.619 2.862 1.00 0.00 C ATOM 499 CD GLU A 32 19.757 -10.378 1.431 1.00 0.00 C ATOM 500 OE1 GLU A 32 20.293 -11.326 0.835 1.00 0.00 O ATOM 501 OE2 GLU A 32 19.627 -9.251 0.910 1.00 0.00 O ATOM 0 H GLU A 32 18.726 -9.488 5.570 1.00 0.00 H new ATOM 0 HA GLU A 32 19.673 -12.212 5.146 1.00 0.00 H new ATOM 0 HB2 GLU A 32 20.654 -9.519 4.073 1.00 0.00 H new ATOM 0 HB3 GLU A 32 21.239 -11.084 3.543 1.00 0.00 H new ATOM 0 HG2 GLU A 32 18.755 -11.594 2.909 1.00 0.00 H new ATOM 0 HG3 GLU A 32 18.482 -9.873 3.100 1.00 0.00 H new ATOM 508 N GLY A 33 21.158 -10.239 7.217 1.00 0.00 N ATOM 509 CA GLY A 33 22.279 -10.089 8.150 1.00 0.00 C ATOM 510 C GLY A 33 23.475 -9.396 7.510 1.00 0.00 C ATOM 511 O GLY A 33 24.618 -9.653 7.880 1.00 0.00 O ATOM 0 H GLY A 33 20.391 -9.586 7.376 1.00 0.00 H new ATOM 0 HA2 GLY A 33 21.952 -9.517 9.018 1.00 0.00 H new ATOM 0 HA3 GLY A 33 22.582 -11.072 8.512 1.00 0.00 H new ATOM 515 N ILE A 34 23.204 -8.515 6.536 1.00 0.00 N ATOM 516 CA ILE A 34 24.248 -7.768 5.796 1.00 0.00 C ATOM 517 C ILE A 34 24.360 -6.326 6.324 1.00 0.00 C ATOM 518 O ILE A 34 23.602 -5.915 7.209 1.00 0.00 O ATOM 519 CB ILE A 34 23.954 -7.779 4.244 1.00 0.00 C ATOM 520 CG1 ILE A 34 22.573 -7.117 3.908 1.00 0.00 C ATOM 521 CG2 ILE A 34 24.022 -9.221 3.685 1.00 0.00 C ATOM 522 CD1 ILE A 34 22.207 -7.104 2.428 1.00 0.00 C ATOM 0 H ILE A 34 22.255 -8.295 6.234 1.00 0.00 H new ATOM 0 HA ILE A 34 25.204 -8.265 5.960 1.00 0.00 H new ATOM 0 HB ILE A 34 24.727 -7.182 3.760 1.00 0.00 H new ATOM 0 HG12 ILE A 34 21.792 -7.644 4.455 1.00 0.00 H new ATOM 0 HG13 ILE A 34 22.581 -6.090 4.274 1.00 0.00 H new ATOM 0 HG21 ILE A 34 23.817 -9.206 2.615 1.00 0.00 H new ATOM 0 HG22 ILE A 34 25.017 -9.632 3.858 1.00 0.00 H new ATOM 0 HG23 ILE A 34 23.281 -9.842 4.188 1.00 0.00 H new ATOM 0 HD11 ILE A 34 21.236 -6.626 2.297 1.00 0.00 H new ATOM 0 HD12 ILE A 34 22.962 -6.549 1.871 1.00 0.00 H new ATOM 0 HD13 ILE A 34 22.161 -8.127 2.056 1.00 0.00 H new ATOM 534 N ALA A 35 25.321 -5.562 5.773 1.00 0.00 N ATOM 535 CA ALA A 35 25.581 -4.169 6.176 1.00 0.00 C ATOM 536 C ALA A 35 24.856 -3.187 5.224 1.00 0.00 C ATOM 537 O ALA A 35 25.130 -3.183 4.016 1.00 0.00 O ATOM 538 CB ALA A 35 27.093 -3.898 6.174 1.00 0.00 C ATOM 0 H ALA A 35 25.940 -5.895 5.034 1.00 0.00 H new ATOM 0 HA ALA A 35 25.196 -4.016 7.184 1.00 0.00 H new ATOM 0 HB1 ALA A 35 27.278 -2.866 6.473 1.00 0.00 H new ATOM 0 HB2 ALA A 35 27.584 -4.573 6.875 1.00 0.00 H new ATOM 0 HB3 ALA A 35 27.491 -4.063 5.173 1.00 0.00 H new ATOM 544 N PRO A 36 23.925 -2.313 5.753 1.00 0.00 N ATOM 545 CA PRO A 36 23.297 -1.236 4.952 1.00 0.00 C ATOM 546 C PRO A 36 24.302 -0.120 4.605 1.00 0.00 C ATOM 547 O PRO A 36 23.992 0.795 3.834 1.00 0.00 O ATOM 548 CB PRO A 36 22.150 -0.737 5.860 1.00 0.00 C ATOM 549 CG PRO A 36 22.617 -1.025 7.250 1.00 0.00 C ATOM 550 CD PRO A 36 23.442 -2.294 7.163 1.00 0.00 C ATOM 0 HA PRO A 36 22.938 -1.580 3.982 1.00 0.00 H new ATOM 0 HB2 PRO A 36 21.965 0.328 5.716 1.00 0.00 H new ATOM 0 HB3 PRO A 36 21.216 -1.255 5.640 1.00 0.00 H new ATOM 0 HG2 PRO A 36 23.212 -0.199 7.640 1.00 0.00 H new ATOM 0 HG3 PRO A 36 21.772 -1.155 7.926 1.00 0.00 H new ATOM 0 HD2 PRO A 36 24.272 -2.280 7.869 1.00 0.00 H new ATOM 0 HD3 PRO A 36 22.844 -3.176 7.392 1.00 0.00 H new ATOM 558 N GLU A 37 25.506 -0.232 5.199 1.00 0.00 N ATOM 559 CA GLU A 37 26.679 0.594 4.901 1.00 0.00 C ATOM 560 C GLU A 37 27.094 0.428 3.433 1.00 0.00 C ATOM 561 O GLU A 37 27.480 1.393 2.783 1.00 0.00 O ATOM 562 CB GLU A 37 27.868 0.184 5.822 1.00 0.00 C ATOM 563 CG GLU A 37 27.731 0.545 7.317 1.00 0.00 C ATOM 564 CD GLU A 37 26.544 -0.130 8.021 1.00 0.00 C ATOM 565 OE1 GLU A 37 26.658 -1.321 8.379 1.00 0.00 O ATOM 566 OE2 GLU A 37 25.491 0.522 8.211 1.00 0.00 O ATOM 0 H GLU A 37 25.689 -0.926 5.924 1.00 0.00 H new ATOM 0 HA GLU A 37 26.419 1.637 5.082 1.00 0.00 H new ATOM 0 HB2 GLU A 37 28.007 -0.894 5.742 1.00 0.00 H new ATOM 0 HB3 GLU A 37 28.775 0.652 5.439 1.00 0.00 H new ATOM 0 HG2 GLU A 37 28.650 0.267 7.832 1.00 0.00 H new ATOM 0 HG3 GLU A 37 27.628 1.626 7.410 1.00 0.00 H new ATOM 573 N ASP A 38 27.001 -0.820 2.929 1.00 0.00 N ATOM 574 CA ASP A 38 27.402 -1.158 1.542 1.00 0.00 C ATOM 575 C ASP A 38 26.232 -0.957 0.577 1.00 0.00 C ATOM 576 O ASP A 38 26.439 -0.686 -0.611 1.00 0.00 O ATOM 577 CB ASP A 38 27.921 -2.622 1.463 1.00 0.00 C ATOM 578 CG ASP A 38 29.104 -2.875 2.408 1.00 0.00 C ATOM 579 OD1 ASP A 38 30.212 -2.389 2.114 1.00 0.00 O ATOM 580 OD2 ASP A 38 28.929 -3.560 3.441 1.00 0.00 O ATOM 0 H ASP A 38 26.650 -1.616 3.463 1.00 0.00 H new ATOM 0 HA ASP A 38 28.210 -0.488 1.250 1.00 0.00 H new ATOM 0 HB2 ASP A 38 27.109 -3.306 1.710 1.00 0.00 H new ATOM 0 HB3 ASP A 38 28.223 -2.843 0.439 1.00 0.00 H new ATOM 585 N GLN A 39 25.006 -1.053 1.114 1.00 0.00 N ATOM 586 CA GLN A 39 23.778 -1.008 0.311 1.00 0.00 C ATOM 587 C GLN A 39 23.457 0.420 -0.157 1.00 0.00 C ATOM 588 O GLN A 39 23.522 1.377 0.625 1.00 0.00 O ATOM 589 CB GLN A 39 22.574 -1.557 1.123 1.00 0.00 C ATOM 590 CG GLN A 39 22.633 -3.065 1.453 1.00 0.00 C ATOM 591 CD GLN A 39 21.360 -3.566 2.144 1.00 0.00 C ATOM 592 OE1 GLN A 39 20.386 -3.917 1.491 1.00 0.00 O ATOM 593 NE2 GLN A 39 21.386 -3.636 3.466 1.00 0.00 N ATOM 0 H GLN A 39 24.840 -1.164 2.114 1.00 0.00 H new ATOM 0 HA GLN A 39 23.947 -1.633 -0.566 1.00 0.00 H new ATOM 0 HB2 GLN A 39 22.503 -1.000 2.057 1.00 0.00 H new ATOM 0 HB3 GLN A 39 21.659 -1.360 0.564 1.00 0.00 H new ATOM 0 HG2 GLN A 39 22.789 -3.629 0.533 1.00 0.00 H new ATOM 0 HG3 GLN A 39 23.492 -3.259 2.096 1.00 0.00 H new ATOM 0 HE21 GLN A 39 22.216 -3.334 3.976 1.00 0.00 H new ATOM 0 HE22 GLN A 39 20.576 -3.992 3.974 1.00 0.00 H new ATOM 602 N VAL A 40 23.138 0.541 -1.452 1.00 0.00 N ATOM 603 CA VAL A 40 22.505 1.721 -2.039 1.00 0.00 C ATOM 604 C VAL A 40 21.294 1.255 -2.872 1.00 0.00 C ATOM 605 O VAL A 40 21.357 0.219 -3.556 1.00 0.00 O ATOM 606 CB VAL A 40 23.491 2.577 -2.929 1.00 0.00 C ATOM 607 CG1 VAL A 40 24.675 3.127 -2.098 1.00 0.00 C ATOM 608 CG2 VAL A 40 24.001 1.796 -4.168 1.00 0.00 C ATOM 0 H VAL A 40 23.318 -0.197 -2.133 1.00 0.00 H new ATOM 0 HA VAL A 40 22.191 2.377 -1.227 1.00 0.00 H new ATOM 0 HB VAL A 40 22.914 3.424 -3.299 1.00 0.00 H new ATOM 0 HG11 VAL A 40 25.332 3.710 -2.743 1.00 0.00 H new ATOM 0 HG12 VAL A 40 24.294 3.762 -1.298 1.00 0.00 H new ATOM 0 HG13 VAL A 40 25.234 2.296 -1.667 1.00 0.00 H new ATOM 0 HG21 VAL A 40 24.675 2.429 -4.745 1.00 0.00 H new ATOM 0 HG22 VAL A 40 24.533 0.903 -3.841 1.00 0.00 H new ATOM 0 HG23 VAL A 40 23.154 1.506 -4.790 1.00 0.00 H new ATOM 618 N VAL A 41 20.185 2.000 -2.783 1.00 0.00 N ATOM 619 CA VAL A 41 18.947 1.679 -3.519 1.00 0.00 C ATOM 620 C VAL A 41 18.868 2.526 -4.807 1.00 0.00 C ATOM 621 O VAL A 41 19.126 3.728 -4.789 1.00 0.00 O ATOM 622 CB VAL A 41 17.671 1.888 -2.620 1.00 0.00 C ATOM 623 CG1 VAL A 41 16.359 1.680 -3.410 1.00 0.00 C ATOM 624 CG2 VAL A 41 17.710 0.954 -1.379 1.00 0.00 C ATOM 0 H VAL A 41 20.116 2.837 -2.204 1.00 0.00 H new ATOM 0 HA VAL A 41 18.973 0.625 -3.795 1.00 0.00 H new ATOM 0 HB VAL A 41 17.687 2.924 -2.282 1.00 0.00 H new ATOM 0 HG11 VAL A 41 15.507 1.835 -2.748 1.00 0.00 H new ATOM 0 HG12 VAL A 41 16.313 2.393 -4.233 1.00 0.00 H new ATOM 0 HG13 VAL A 41 16.330 0.665 -3.807 1.00 0.00 H new ATOM 0 HG21 VAL A 41 16.818 1.116 -0.773 1.00 0.00 H new ATOM 0 HG22 VAL A 41 17.742 -0.085 -1.707 1.00 0.00 H new ATOM 0 HG23 VAL A 41 18.597 1.175 -0.785 1.00 0.00 H new ATOM 634 N LEU A 42 18.535 1.856 -5.924 1.00 0.00 N ATOM 635 CA LEU A 42 18.445 2.456 -7.260 1.00 0.00 C ATOM 636 C LEU A 42 17.002 2.338 -7.778 1.00 0.00 C ATOM 637 O LEU A 42 16.428 1.242 -7.743 1.00 0.00 O ATOM 638 CB LEU A 42 19.418 1.717 -8.229 1.00 0.00 C ATOM 639 CG LEU A 42 20.907 1.597 -7.764 1.00 0.00 C ATOM 640 CD1 LEU A 42 21.713 0.705 -8.734 1.00 0.00 C ATOM 641 CD2 LEU A 42 21.568 2.988 -7.598 1.00 0.00 C ATOM 0 H LEU A 42 18.317 0.860 -5.919 1.00 0.00 H new ATOM 0 HA LEU A 42 18.723 3.509 -7.208 1.00 0.00 H new ATOM 0 HB2 LEU A 42 19.032 0.712 -8.400 1.00 0.00 H new ATOM 0 HB3 LEU A 42 19.401 2.233 -9.189 1.00 0.00 H new ATOM 0 HG LEU A 42 20.911 1.121 -6.784 1.00 0.00 H new ATOM 0 HD11 LEU A 42 22.745 0.635 -8.392 1.00 0.00 H new ATOM 0 HD12 LEU A 42 21.272 -0.292 -8.763 1.00 0.00 H new ATOM 0 HD13 LEU A 42 21.691 1.141 -9.733 1.00 0.00 H new ATOM 0 HD21 LEU A 42 22.601 2.863 -7.274 1.00 0.00 H new ATOM 0 HD22 LEU A 42 21.548 3.517 -8.551 1.00 0.00 H new ATOM 0 HD23 LEU A 42 21.021 3.564 -6.852 1.00 0.00 H new ATOM 653 N LEU A 43 16.428 3.464 -8.229 1.00 0.00 N ATOM 654 CA LEU A 43 15.150 3.493 -8.960 1.00 0.00 C ATOM 655 C LEU A 43 15.443 3.769 -10.446 1.00 0.00 C ATOM 656 O LEU A 43 15.823 4.888 -10.804 1.00 0.00 O ATOM 657 CB LEU A 43 14.219 4.587 -8.358 1.00 0.00 C ATOM 658 CG LEU A 43 12.827 4.799 -9.049 1.00 0.00 C ATOM 659 CD1 LEU A 43 11.995 3.498 -9.080 1.00 0.00 C ATOM 660 CD2 LEU A 43 12.037 5.952 -8.370 1.00 0.00 C ATOM 0 H LEU A 43 16.840 4.387 -8.096 1.00 0.00 H new ATOM 0 HA LEU A 43 14.638 2.535 -8.869 1.00 0.00 H new ATOM 0 HB2 LEU A 43 14.043 4.343 -7.310 1.00 0.00 H new ATOM 0 HB3 LEU A 43 14.755 5.536 -8.378 1.00 0.00 H new ATOM 0 HG LEU A 43 13.020 5.083 -10.084 1.00 0.00 H new ATOM 0 HD11 LEU A 43 11.039 3.689 -9.567 1.00 0.00 H new ATOM 0 HD12 LEU A 43 12.538 2.732 -9.634 1.00 0.00 H new ATOM 0 HD13 LEU A 43 11.821 3.153 -8.061 1.00 0.00 H new ATOM 0 HD21 LEU A 43 11.076 6.078 -8.869 1.00 0.00 H new ATOM 0 HD22 LEU A 43 11.872 5.711 -7.320 1.00 0.00 H new ATOM 0 HD23 LEU A 43 12.608 6.877 -8.444 1.00 0.00 H new ATOM 672 N ALA A 44 15.339 2.713 -11.280 1.00 0.00 N ATOM 673 CA ALA A 44 15.594 2.785 -12.743 1.00 0.00 C ATOM 674 C ALA A 44 17.047 3.234 -13.050 1.00 0.00 C ATOM 675 O ALA A 44 17.317 3.811 -14.106 1.00 0.00 O ATOM 676 CB ALA A 44 14.561 3.706 -13.438 1.00 0.00 C ATOM 0 H ALA A 44 15.075 1.781 -10.961 1.00 0.00 H new ATOM 0 HA ALA A 44 15.476 1.780 -13.149 1.00 0.00 H new ATOM 0 HB1 ALA A 44 14.768 3.743 -14.508 1.00 0.00 H new ATOM 0 HB2 ALA A 44 13.557 3.314 -13.276 1.00 0.00 H new ATOM 0 HB3 ALA A 44 14.630 4.710 -13.020 1.00 0.00 H new ATOM 682 N GLY A 45 17.972 2.959 -12.103 1.00 0.00 N ATOM 683 CA GLY A 45 19.386 3.337 -12.232 1.00 0.00 C ATOM 684 C GLY A 45 19.756 4.595 -11.456 1.00 0.00 C ATOM 685 O GLY A 45 20.946 4.854 -11.238 1.00 0.00 O ATOM 0 H GLY A 45 17.755 2.471 -11.234 1.00 0.00 H new ATOM 0 HA2 GLY A 45 20.007 2.511 -11.885 1.00 0.00 H new ATOM 0 HA3 GLY A 45 19.618 3.489 -13.286 1.00 0.00 H new ATOM 689 N ALA A 46 18.752 5.377 -11.031 1.00 0.00 N ATOM 690 CA ALA A 46 18.978 6.630 -10.302 1.00 0.00 C ATOM 691 C ALA A 46 19.230 6.325 -8.811 1.00 0.00 C ATOM 692 O ALA A 46 18.371 5.717 -8.160 1.00 0.00 O ATOM 693 CB ALA A 46 17.781 7.578 -10.472 1.00 0.00 C ATOM 0 H ALA A 46 17.767 5.159 -11.183 1.00 0.00 H new ATOM 0 HA ALA A 46 19.857 7.127 -10.712 1.00 0.00 H new ATOM 0 HB1 ALA A 46 17.968 8.502 -9.924 1.00 0.00 H new ATOM 0 HB2 ALA A 46 17.644 7.805 -11.529 1.00 0.00 H new ATOM 0 HB3 ALA A 46 16.881 7.101 -10.083 1.00 0.00 H new ATOM 699 N PRO A 47 20.427 6.714 -8.249 1.00 0.00 N ATOM 700 CA PRO A 47 20.740 6.507 -6.813 1.00 0.00 C ATOM 701 C PRO A 47 19.807 7.329 -5.890 1.00 0.00 C ATOM 702 O PRO A 47 19.837 8.563 -5.899 1.00 0.00 O ATOM 703 CB PRO A 47 22.227 6.959 -6.695 1.00 0.00 C ATOM 704 CG PRO A 47 22.437 7.888 -7.854 1.00 0.00 C ATOM 705 CD PRO A 47 21.562 7.362 -8.970 1.00 0.00 C ATOM 0 HA PRO A 47 20.589 5.475 -6.495 1.00 0.00 H new ATOM 0 HB2 PRO A 47 22.414 7.462 -5.746 1.00 0.00 H new ATOM 0 HB3 PRO A 47 22.905 6.107 -6.743 1.00 0.00 H new ATOM 0 HG2 PRO A 47 22.162 8.909 -7.591 1.00 0.00 H new ATOM 0 HG3 PRO A 47 23.485 7.907 -8.155 1.00 0.00 H new ATOM 0 HD2 PRO A 47 21.217 8.165 -9.622 1.00 0.00 H new ATOM 0 HD3 PRO A 47 22.097 6.650 -9.598 1.00 0.00 H new ATOM 713 N LEU A 48 18.951 6.624 -5.142 1.00 0.00 N ATOM 714 CA LEU A 48 18.049 7.222 -4.145 1.00 0.00 C ATOM 715 C LEU A 48 18.801 7.467 -2.832 1.00 0.00 C ATOM 716 O LEU A 48 19.488 6.567 -2.339 1.00 0.00 O ATOM 717 CB LEU A 48 16.836 6.287 -3.893 1.00 0.00 C ATOM 718 CG LEU A 48 15.931 5.981 -5.125 1.00 0.00 C ATOM 719 CD1 LEU A 48 14.734 5.089 -4.717 1.00 0.00 C ATOM 720 CD2 LEU A 48 15.456 7.289 -5.816 1.00 0.00 C ATOM 0 H LEU A 48 18.862 5.610 -5.211 1.00 0.00 H new ATOM 0 HA LEU A 48 17.687 8.176 -4.529 1.00 0.00 H new ATOM 0 HB2 LEU A 48 17.209 5.341 -3.499 1.00 0.00 H new ATOM 0 HB3 LEU A 48 16.216 6.733 -3.116 1.00 0.00 H new ATOM 0 HG LEU A 48 16.527 5.430 -5.852 1.00 0.00 H new ATOM 0 HD11 LEU A 48 14.115 4.888 -5.592 1.00 0.00 H new ATOM 0 HD12 LEU A 48 15.104 4.148 -4.310 1.00 0.00 H new ATOM 0 HD13 LEU A 48 14.139 5.602 -3.962 1.00 0.00 H new ATOM 0 HD21 LEU A 48 14.827 7.041 -6.671 1.00 0.00 H new ATOM 0 HD22 LEU A 48 14.885 7.888 -5.107 1.00 0.00 H new ATOM 0 HD23 LEU A 48 16.322 7.857 -6.155 1.00 0.00 H new ATOM 732 N GLU A 49 18.664 8.683 -2.285 1.00 0.00 N ATOM 733 CA GLU A 49 19.291 9.066 -1.007 1.00 0.00 C ATOM 734 C GLU A 49 18.593 8.377 0.172 1.00 0.00 C ATOM 735 O GLU A 49 17.370 8.240 0.180 1.00 0.00 O ATOM 736 CB GLU A 49 19.268 10.612 -0.818 1.00 0.00 C ATOM 737 CG GLU A 49 20.162 11.385 -1.798 1.00 0.00 C ATOM 738 CD GLU A 49 21.649 10.999 -1.680 1.00 0.00 C ATOM 739 OE1 GLU A 49 22.326 11.481 -0.744 1.00 0.00 O ATOM 740 OE2 GLU A 49 22.149 10.211 -2.520 1.00 0.00 O ATOM 0 H GLU A 49 18.117 9.430 -2.713 1.00 0.00 H new ATOM 0 HA GLU A 49 20.330 8.737 -1.034 1.00 0.00 H new ATOM 0 HB2 GLU A 49 18.242 10.964 -0.927 1.00 0.00 H new ATOM 0 HB3 GLU A 49 19.579 10.846 0.200 1.00 0.00 H new ATOM 0 HG2 GLU A 49 19.823 11.199 -2.817 1.00 0.00 H new ATOM 0 HG3 GLU A 49 20.053 12.454 -1.616 1.00 0.00 H new ATOM 747 N ASP A 50 19.398 7.988 1.174 1.00 0.00 N ATOM 748 CA ASP A 50 18.939 7.257 2.377 1.00 0.00 C ATOM 749 C ASP A 50 17.916 8.075 3.195 1.00 0.00 C ATOM 750 O ASP A 50 17.080 7.512 3.892 1.00 0.00 O ATOM 751 CB ASP A 50 20.162 6.880 3.255 1.00 0.00 C ATOM 752 CG ASP A 50 20.902 8.112 3.828 1.00 0.00 C ATOM 753 OD1 ASP A 50 21.424 8.920 3.031 1.00 0.00 O ATOM 754 OD2 ASP A 50 20.937 8.290 5.066 1.00 0.00 O ATOM 0 H ASP A 50 20.401 8.173 1.176 1.00 0.00 H new ATOM 0 HA ASP A 50 18.433 6.350 2.048 1.00 0.00 H new ATOM 0 HB2 ASP A 50 19.829 6.248 4.079 1.00 0.00 H new ATOM 0 HB3 ASP A 50 20.859 6.289 2.661 1.00 0.00 H new ATOM 759 N GLU A 51 17.995 9.408 3.072 1.00 0.00 N ATOM 760 CA GLU A 51 17.114 10.351 3.783 1.00 0.00 C ATOM 761 C GLU A 51 15.707 10.404 3.147 1.00 0.00 C ATOM 762 O GLU A 51 14.727 10.721 3.830 1.00 0.00 O ATOM 763 CB GLU A 51 17.767 11.755 3.758 1.00 0.00 C ATOM 764 CG GLU A 51 18.020 12.301 2.337 1.00 0.00 C ATOM 765 CD GLU A 51 18.829 13.603 2.309 1.00 0.00 C ATOM 766 OE1 GLU A 51 20.069 13.543 2.363 1.00 0.00 O ATOM 767 OE2 GLU A 51 18.233 14.695 2.224 1.00 0.00 O ATOM 0 H GLU A 51 18.678 9.868 2.471 1.00 0.00 H new ATOM 0 HA GLU A 51 16.991 10.011 4.811 1.00 0.00 H new ATOM 0 HB2 GLU A 51 17.126 12.453 4.296 1.00 0.00 H new ATOM 0 HB3 GLU A 51 18.715 11.714 4.295 1.00 0.00 H new ATOM 0 HG2 GLU A 51 18.547 11.544 1.756 1.00 0.00 H new ATOM 0 HG3 GLU A 51 17.061 12.469 1.847 1.00 0.00 H new ATOM 774 N ALA A 52 15.635 10.080 1.842 1.00 0.00 N ATOM 775 CA ALA A 52 14.400 10.172 1.039 1.00 0.00 C ATOM 776 C ALA A 52 13.473 8.985 1.321 1.00 0.00 C ATOM 777 O ALA A 52 13.924 7.846 1.343 1.00 0.00 O ATOM 778 CB ALA A 52 14.745 10.223 -0.463 1.00 0.00 C ATOM 0 H ALA A 52 16.439 9.744 1.311 1.00 0.00 H new ATOM 0 HA ALA A 52 13.881 11.088 1.319 1.00 0.00 H new ATOM 0 HB1 ALA A 52 13.826 10.291 -1.045 1.00 0.00 H new ATOM 0 HB2 ALA A 52 15.367 11.095 -0.664 1.00 0.00 H new ATOM 0 HB3 ALA A 52 15.286 9.319 -0.743 1.00 0.00 H new ATOM 784 N THR A 53 12.182 9.260 1.536 1.00 0.00 N ATOM 785 CA THR A 53 11.158 8.216 1.702 1.00 0.00 C ATOM 786 C THR A 53 10.716 7.675 0.330 1.00 0.00 C ATOM 787 O THR A 53 11.125 8.222 -0.703 1.00 0.00 O ATOM 788 CB THR A 53 9.926 8.778 2.479 1.00 0.00 C ATOM 789 OG1 THR A 53 9.292 9.813 1.715 1.00 0.00 O ATOM 790 CG2 THR A 53 10.326 9.331 3.857 1.00 0.00 C ATOM 0 H THR A 53 11.815 10.210 1.600 1.00 0.00 H new ATOM 0 HA THR A 53 11.591 7.399 2.278 1.00 0.00 H new ATOM 0 HB THR A 53 9.231 7.952 2.633 1.00 0.00 H new ATOM 0 HG1 THR A 53 8.520 10.158 2.210 1.00 0.00 H new ATOM 0 HG21 THR A 53 9.441 9.713 4.367 1.00 0.00 H new ATOM 0 HG22 THR A 53 10.773 8.535 4.453 1.00 0.00 H new ATOM 0 HG23 THR A 53 11.048 10.138 3.730 1.00 0.00 H new ATOM 798 N LEU A 54 9.878 6.613 0.322 1.00 0.00 N ATOM 799 CA LEU A 54 9.268 6.103 -0.929 1.00 0.00 C ATOM 800 C LEU A 54 8.381 7.197 -1.560 1.00 0.00 C ATOM 801 O LEU A 54 8.306 7.317 -2.790 1.00 0.00 O ATOM 802 CB LEU A 54 8.423 4.806 -0.707 1.00 0.00 C ATOM 803 CG LEU A 54 9.183 3.490 -0.307 1.00 0.00 C ATOM 804 CD1 LEU A 54 10.446 3.252 -1.161 1.00 0.00 C ATOM 805 CD2 LEU A 54 9.501 3.445 1.195 1.00 0.00 C ATOM 0 H LEU A 54 9.610 6.096 1.159 1.00 0.00 H new ATOM 0 HA LEU A 54 10.086 5.843 -1.600 1.00 0.00 H new ATOM 0 HB2 LEU A 54 7.687 5.016 0.069 1.00 0.00 H new ATOM 0 HB3 LEU A 54 7.870 4.606 -1.625 1.00 0.00 H new ATOM 0 HG LEU A 54 8.501 2.667 -0.521 1.00 0.00 H new ATOM 0 HD11 LEU A 54 10.932 2.330 -0.842 1.00 0.00 H new ATOM 0 HD12 LEU A 54 10.165 3.170 -2.211 1.00 0.00 H new ATOM 0 HD13 LEU A 54 11.134 4.088 -1.034 1.00 0.00 H new ATOM 0 HD21 LEU A 54 10.026 2.519 1.428 1.00 0.00 H new ATOM 0 HD22 LEU A 54 10.130 4.295 1.459 1.00 0.00 H new ATOM 0 HD23 LEU A 54 8.573 3.489 1.765 1.00 0.00 H new ATOM 817 N GLY A 55 7.727 7.990 -0.677 1.00 0.00 N ATOM 818 CA GLY A 55 6.890 9.116 -1.087 1.00 0.00 C ATOM 819 C GLY A 55 7.679 10.222 -1.787 1.00 0.00 C ATOM 820 O GLY A 55 7.247 10.744 -2.825 1.00 0.00 O ATOM 0 H GLY A 55 7.772 7.858 0.333 1.00 0.00 H new ATOM 0 HA2 GLY A 55 6.108 8.756 -1.756 1.00 0.00 H new ATOM 0 HA3 GLY A 55 6.393 9.531 -0.210 1.00 0.00 H new ATOM 824 N GLN A 56 8.858 10.553 -1.222 1.00 0.00 N ATOM 825 CA GLN A 56 9.760 11.591 -1.774 1.00 0.00 C ATOM 826 C GLN A 56 10.398 11.134 -3.099 1.00 0.00 C ATOM 827 O GLN A 56 10.553 11.931 -4.028 1.00 0.00 O ATOM 828 CB GLN A 56 10.850 11.972 -0.736 1.00 0.00 C ATOM 829 CG GLN A 56 10.308 12.647 0.546 1.00 0.00 C ATOM 830 CD GLN A 56 9.588 13.984 0.301 1.00 0.00 C ATOM 831 OE1 GLN A 56 9.911 14.721 -0.628 1.00 0.00 O ATOM 832 NE2 GLN A 56 8.612 14.304 1.139 1.00 0.00 N ATOM 0 H GLN A 56 9.213 10.112 -0.374 1.00 0.00 H new ATOM 0 HA GLN A 56 9.162 12.477 -1.987 1.00 0.00 H new ATOM 0 HB2 GLN A 56 11.396 11.072 -0.454 1.00 0.00 H new ATOM 0 HB3 GLN A 56 11.566 12.643 -1.210 1.00 0.00 H new ATOM 0 HG2 GLN A 56 9.619 11.962 1.040 1.00 0.00 H new ATOM 0 HG3 GLN A 56 11.138 12.815 1.233 1.00 0.00 H new ATOM 0 HE21 GLN A 56 8.366 13.672 1.901 1.00 0.00 H new ATOM 0 HE22 GLN A 56 8.107 15.182 1.022 1.00 0.00 H new ATOM 841 N CYS A 57 10.745 9.839 -3.170 1.00 0.00 N ATOM 842 CA CYS A 57 11.277 9.207 -4.390 1.00 0.00 C ATOM 843 C CYS A 57 10.162 8.999 -5.443 1.00 0.00 C ATOM 844 O CYS A 57 10.450 8.734 -6.612 1.00 0.00 O ATOM 845 CB CYS A 57 11.948 7.867 -4.031 1.00 0.00 C ATOM 846 SG CYS A 57 13.327 8.020 -2.866 1.00 0.00 S ATOM 0 H CYS A 57 10.665 9.198 -2.381 1.00 0.00 H new ATOM 0 HA CYS A 57 12.022 9.870 -4.829 1.00 0.00 H new ATOM 0 HB2 CYS A 57 11.198 7.200 -3.605 1.00 0.00 H new ATOM 0 HB3 CYS A 57 12.309 7.397 -4.946 1.00 0.00 H new ATOM 0 HG CYS A 57 12.863 8.169 -1.661 1.00 0.00 H new ATOM 852 N GLY A 58 8.892 9.091 -4.988 1.00 0.00 N ATOM 853 CA GLY A 58 7.715 8.978 -5.855 1.00 0.00 C ATOM 854 C GLY A 58 7.554 7.601 -6.483 1.00 0.00 C ATOM 855 O GLY A 58 6.960 7.475 -7.552 1.00 0.00 O ATOM 0 H GLY A 58 8.662 9.246 -4.006 1.00 0.00 H new ATOM 0 HA2 GLY A 58 6.822 9.211 -5.275 1.00 0.00 H new ATOM 0 HA3 GLY A 58 7.784 9.724 -6.647 1.00 0.00 H new ATOM 859 N VAL A 59 8.088 6.574 -5.810 1.00 0.00 N ATOM 860 CA VAL A 59 8.081 5.184 -6.307 1.00 0.00 C ATOM 861 C VAL A 59 6.805 4.463 -5.818 1.00 0.00 C ATOM 862 O VAL A 59 6.591 4.304 -4.616 1.00 0.00 O ATOM 863 CB VAL A 59 9.402 4.413 -5.898 1.00 0.00 C ATOM 864 CG1 VAL A 59 9.783 4.650 -4.425 1.00 0.00 C ATOM 865 CG2 VAL A 59 9.305 2.898 -6.209 1.00 0.00 C ATOM 0 H VAL A 59 8.540 6.680 -4.902 1.00 0.00 H new ATOM 0 HA VAL A 59 8.065 5.198 -7.397 1.00 0.00 H new ATOM 0 HB VAL A 59 10.202 4.828 -6.511 1.00 0.00 H new ATOM 0 HG11 VAL A 59 10.695 4.101 -4.192 1.00 0.00 H new ATOM 0 HG12 VAL A 59 9.948 5.715 -4.259 1.00 0.00 H new ATOM 0 HG13 VAL A 59 8.976 4.303 -3.780 1.00 0.00 H new ATOM 0 HG21 VAL A 59 10.232 2.406 -5.913 1.00 0.00 H new ATOM 0 HG22 VAL A 59 8.472 2.466 -5.655 1.00 0.00 H new ATOM 0 HG23 VAL A 59 9.143 2.756 -7.277 1.00 0.00 H new ATOM 875 N GLU A 60 5.962 4.053 -6.780 1.00 0.00 N ATOM 876 CA GLU A 60 4.618 3.488 -6.523 1.00 0.00 C ATOM 877 C GLU A 60 4.669 1.953 -6.288 1.00 0.00 C ATOM 878 O GLU A 60 5.754 1.356 -6.203 1.00 0.00 O ATOM 879 CB GLU A 60 3.688 3.825 -7.724 1.00 0.00 C ATOM 880 CG GLU A 60 4.132 3.213 -9.071 1.00 0.00 C ATOM 881 CD GLU A 60 3.180 3.542 -10.235 1.00 0.00 C ATOM 882 OE1 GLU A 60 2.059 2.984 -10.272 1.00 0.00 O ATOM 883 OE2 GLU A 60 3.539 4.355 -11.114 1.00 0.00 O ATOM 0 H GLU A 60 6.193 4.103 -7.772 1.00 0.00 H new ATOM 0 HA GLU A 60 4.224 3.936 -5.611 1.00 0.00 H new ATOM 0 HB2 GLU A 60 2.681 3.477 -7.496 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.634 4.908 -7.832 1.00 0.00 H new ATOM 0 HG2 GLU A 60 5.131 3.575 -9.315 1.00 0.00 H new ATOM 0 HG3 GLU A 60 4.203 2.131 -8.964 1.00 0.00 H new ATOM 890 N ALA A 61 3.479 1.323 -6.195 1.00 0.00 N ATOM 891 CA ALA A 61 3.337 -0.138 -6.025 1.00 0.00 C ATOM 892 C ALA A 61 3.706 -0.883 -7.319 1.00 0.00 C ATOM 893 O ALA A 61 3.641 -0.313 -8.412 1.00 0.00 O ATOM 894 CB ALA A 61 1.903 -0.482 -5.581 1.00 0.00 C ATOM 0 H ALA A 61 2.587 1.815 -6.236 1.00 0.00 H new ATOM 0 HA ALA A 61 4.029 -0.465 -5.248 1.00 0.00 H new ATOM 0 HB1 ALA A 61 1.809 -1.561 -5.459 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.688 0.011 -4.633 1.00 0.00 H new ATOM 0 HB3 ALA A 61 1.196 -0.140 -6.337 1.00 0.00 H new ATOM 900 N LEU A 62 4.138 -2.150 -7.143 1.00 0.00 N ATOM 901 CA LEU A 62 4.541 -3.085 -8.226 1.00 0.00 C ATOM 902 C LEU A 62 5.840 -2.645 -8.941 1.00 0.00 C ATOM 903 O LEU A 62 6.276 -3.303 -9.890 1.00 0.00 O ATOM 904 CB LEU A 62 3.384 -3.358 -9.254 1.00 0.00 C ATOM 905 CG LEU A 62 2.212 -4.290 -8.777 1.00 0.00 C ATOM 906 CD1 LEU A 62 2.737 -5.671 -8.303 1.00 0.00 C ATOM 907 CD2 LEU A 62 1.333 -3.621 -7.692 1.00 0.00 C ATOM 0 H LEU A 62 4.220 -2.568 -6.216 1.00 0.00 H new ATOM 0 HA LEU A 62 4.755 -4.032 -7.730 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.957 -2.399 -9.546 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.823 -3.797 -10.150 1.00 0.00 H new ATOM 0 HG LEU A 62 1.574 -4.457 -9.645 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.898 -6.288 -7.981 1.00 0.00 H new ATOM 0 HD12 LEU A 62 3.256 -6.165 -9.125 1.00 0.00 H new ATOM 0 HD13 LEU A 62 3.426 -5.532 -7.470 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.538 -4.305 -7.396 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.947 -3.380 -6.824 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.895 -2.706 -8.092 1.00 0.00 H new ATOM 919 N THR A 63 6.465 -1.559 -8.454 1.00 0.00 N ATOM 920 CA THR A 63 7.739 -1.055 -8.981 1.00 0.00 C ATOM 921 C THR A 63 8.888 -1.814 -8.299 1.00 0.00 C ATOM 922 O THR A 63 8.739 -2.288 -7.170 1.00 0.00 O ATOM 923 CB THR A 63 7.863 0.481 -8.720 1.00 0.00 C ATOM 924 OG1 THR A 63 6.652 1.132 -9.120 1.00 0.00 O ATOM 925 CG2 THR A 63 9.044 1.122 -9.485 1.00 0.00 C ATOM 0 H THR A 63 6.097 -1.006 -7.680 1.00 0.00 H new ATOM 0 HA THR A 63 7.784 -1.217 -10.058 1.00 0.00 H new ATOM 0 HB THR A 63 8.046 0.610 -7.653 1.00 0.00 H new ATOM 0 HG1 THR A 63 6.130 1.369 -8.325 1.00 0.00 H new ATOM 0 HG21 THR A 63 9.082 2.189 -9.267 1.00 0.00 H new ATOM 0 HG22 THR A 63 9.977 0.654 -9.172 1.00 0.00 H new ATOM 0 HG23 THR A 63 8.906 0.975 -10.556 1.00 0.00 H new ATOM 933 N THR A 64 10.018 -1.948 -8.991 1.00 0.00 N ATOM 934 CA THR A 64 11.177 -2.683 -8.482 1.00 0.00 C ATOM 935 C THR A 64 12.356 -1.724 -8.245 1.00 0.00 C ATOM 936 O THR A 64 12.908 -1.138 -9.188 1.00 0.00 O ATOM 937 CB THR A 64 11.597 -3.839 -9.451 1.00 0.00 C ATOM 938 OG1 THR A 64 10.454 -4.673 -9.712 1.00 0.00 O ATOM 939 CG2 THR A 64 12.735 -4.706 -8.862 1.00 0.00 C ATOM 0 H THR A 64 10.157 -1.551 -9.920 1.00 0.00 H new ATOM 0 HA THR A 64 10.893 -3.136 -7.532 1.00 0.00 H new ATOM 0 HB THR A 64 11.965 -3.387 -10.372 1.00 0.00 H new ATOM 0 HG1 THR A 64 10.710 -5.398 -10.320 1.00 0.00 H new ATOM 0 HG21 THR A 64 12.994 -5.495 -9.568 1.00 0.00 H new ATOM 0 HG22 THR A 64 13.610 -4.082 -8.678 1.00 0.00 H new ATOM 0 HG23 THR A 64 12.404 -5.152 -7.924 1.00 0.00 H new ATOM 947 N LEU A 65 12.684 -1.538 -6.962 1.00 0.00 N ATOM 948 CA LEU A 65 13.941 -0.923 -6.521 1.00 0.00 C ATOM 949 C LEU A 65 15.052 -1.975 -6.621 1.00 0.00 C ATOM 950 O LEU A 65 14.768 -3.165 -6.678 1.00 0.00 O ATOM 951 CB LEU A 65 13.781 -0.428 -5.061 1.00 0.00 C ATOM 952 CG LEU A 65 12.680 0.658 -4.829 1.00 0.00 C ATOM 953 CD1 LEU A 65 12.550 1.008 -3.329 1.00 0.00 C ATOM 954 CD2 LEU A 65 12.966 1.921 -5.676 1.00 0.00 C ATOM 0 H LEU A 65 12.076 -1.814 -6.191 1.00 0.00 H new ATOM 0 HA LEU A 65 14.197 -0.069 -7.147 1.00 0.00 H new ATOM 0 HB2 LEU A 65 13.557 -1.287 -4.428 1.00 0.00 H new ATOM 0 HB3 LEU A 65 14.737 -0.026 -4.726 1.00 0.00 H new ATOM 0 HG LEU A 65 11.725 0.245 -5.155 1.00 0.00 H new ATOM 0 HD11 LEU A 65 11.777 1.765 -3.198 1.00 0.00 H new ATOM 0 HD12 LEU A 65 12.280 0.113 -2.769 1.00 0.00 H new ATOM 0 HD13 LEU A 65 13.501 1.393 -2.961 1.00 0.00 H new ATOM 0 HD21 LEU A 65 12.187 2.662 -5.498 1.00 0.00 H new ATOM 0 HD22 LEU A 65 13.934 2.337 -5.394 1.00 0.00 H new ATOM 0 HD23 LEU A 65 12.979 1.655 -6.733 1.00 0.00 H new ATOM 966 N GLU A 66 16.312 -1.546 -6.648 1.00 0.00 N ATOM 967 CA GLU A 66 17.458 -2.475 -6.750 1.00 0.00 C ATOM 968 C GLU A 66 18.536 -2.128 -5.718 1.00 0.00 C ATOM 969 O GLU A 66 18.773 -0.960 -5.439 1.00 0.00 O ATOM 970 CB GLU A 66 18.027 -2.442 -8.190 1.00 0.00 C ATOM 971 CG GLU A 66 19.269 -3.332 -8.415 1.00 0.00 C ATOM 972 CD GLU A 66 19.719 -3.439 -9.879 1.00 0.00 C ATOM 973 OE1 GLU A 66 19.631 -2.446 -10.628 1.00 0.00 O ATOM 974 OE2 GLU A 66 20.150 -4.538 -10.291 1.00 0.00 O ATOM 0 H GLU A 66 16.575 -0.562 -6.601 1.00 0.00 H new ATOM 0 HA GLU A 66 17.116 -3.487 -6.534 1.00 0.00 H new ATOM 0 HB2 GLU A 66 17.244 -2.753 -8.882 1.00 0.00 H new ATOM 0 HB3 GLU A 66 18.284 -1.413 -8.441 1.00 0.00 H new ATOM 0 HG2 GLU A 66 20.095 -2.938 -7.822 1.00 0.00 H new ATOM 0 HG3 GLU A 66 19.056 -4.333 -8.040 1.00 0.00 H new ATOM 981 N VAL A 67 19.164 -3.173 -5.149 1.00 0.00 N ATOM 982 CA VAL A 67 20.284 -3.042 -4.208 1.00 0.00 C ATOM 983 C VAL A 67 21.609 -3.188 -4.978 1.00 0.00 C ATOM 984 O VAL A 67 21.769 -4.109 -5.792 1.00 0.00 O ATOM 985 CB VAL A 67 20.213 -4.125 -3.059 1.00 0.00 C ATOM 986 CG1 VAL A 67 21.383 -3.975 -2.054 1.00 0.00 C ATOM 987 CG2 VAL A 67 18.854 -4.074 -2.327 1.00 0.00 C ATOM 0 H VAL A 67 18.903 -4.142 -5.334 1.00 0.00 H new ATOM 0 HA VAL A 67 20.224 -2.059 -3.740 1.00 0.00 H new ATOM 0 HB VAL A 67 20.309 -5.102 -3.533 1.00 0.00 H new ATOM 0 HG11 VAL A 67 21.298 -4.738 -1.280 1.00 0.00 H new ATOM 0 HG12 VAL A 67 22.331 -4.095 -2.579 1.00 0.00 H new ATOM 0 HG13 VAL A 67 21.344 -2.987 -1.595 1.00 0.00 H new ATOM 0 HG21 VAL A 67 18.835 -4.830 -1.542 1.00 0.00 H new ATOM 0 HG22 VAL A 67 18.716 -3.088 -1.884 1.00 0.00 H new ATOM 0 HG23 VAL A 67 18.051 -4.268 -3.038 1.00 0.00 H new ATOM 997 N ALA A 68 22.543 -2.263 -4.715 1.00 0.00 N ATOM 998 CA ALA A 68 23.891 -2.270 -5.303 1.00 0.00 C ATOM 999 C ALA A 68 24.922 -1.841 -4.248 1.00 0.00 C ATOM 1000 O ALA A 68 24.554 -1.339 -3.178 1.00 0.00 O ATOM 1001 CB ALA A 68 23.941 -1.346 -6.527 1.00 0.00 C ATOM 0 H ALA A 68 22.382 -1.480 -4.081 1.00 0.00 H new ATOM 0 HA ALA A 68 24.134 -3.280 -5.632 1.00 0.00 H new ATOM 0 HB1 ALA A 68 24.944 -1.360 -6.953 1.00 0.00 H new ATOM 0 HB2 ALA A 68 23.225 -1.691 -7.273 1.00 0.00 H new ATOM 0 HB3 ALA A 68 23.689 -0.329 -6.226 1.00 0.00 H new ATOM 1007 N GLY A 69 26.211 -2.052 -4.550 1.00 0.00 N ATOM 1008 CA GLY A 69 27.299 -1.648 -3.660 1.00 0.00 C ATOM 1009 C GLY A 69 28.104 -0.480 -4.223 1.00 0.00 C ATOM 1010 O GLY A 69 29.054 -0.686 -4.983 1.00 0.00 O ATOM 0 H GLY A 69 26.523 -2.503 -5.410 1.00 0.00 H new ATOM 0 HA2 GLY A 69 26.887 -1.369 -2.690 1.00 0.00 H new ATOM 0 HA3 GLY A 69 27.962 -2.496 -3.492 1.00 0.00 H new ATOM 1014 N ARG A 70 27.689 0.752 -3.889 1.00 0.00 N ATOM 1015 CA ARG A 70 28.459 1.984 -4.185 1.00 0.00 C ATOM 1016 C ARG A 70 29.134 2.472 -2.901 1.00 0.00 C ATOM 1017 O ARG A 70 30.335 2.785 -2.886 1.00 0.00 O ATOM 1018 CB ARG A 70 27.544 3.106 -4.762 1.00 0.00 C ATOM 1019 CG ARG A 70 27.103 2.902 -6.226 1.00 0.00 C ATOM 1020 CD ARG A 70 26.210 4.051 -6.754 1.00 0.00 C ATOM 1021 NE ARG A 70 26.820 5.384 -6.528 1.00 0.00 N ATOM 1022 CZ ARG A 70 26.599 6.491 -7.258 1.00 0.00 C ATOM 1023 NH1 ARG A 70 25.813 6.473 -8.325 1.00 0.00 N ATOM 1024 NH2 ARG A 70 27.178 7.629 -6.905 1.00 0.00 N ATOM 0 H ARG A 70 26.809 0.929 -3.405 1.00 0.00 H new ATOM 0 HA ARG A 70 29.210 1.749 -4.939 1.00 0.00 H new ATOM 0 HB2 ARG A 70 26.654 3.184 -4.138 1.00 0.00 H new ATOM 0 HB3 ARG A 70 28.070 4.057 -4.687 1.00 0.00 H new ATOM 0 HG2 ARG A 70 27.987 2.817 -6.858 1.00 0.00 H new ATOM 0 HG3 ARG A 70 26.560 1.960 -6.308 1.00 0.00 H new ATOM 0 HD2 ARG A 70 26.033 3.910 -7.820 1.00 0.00 H new ATOM 0 HD3 ARG A 70 25.239 4.010 -6.261 1.00 0.00 H new ATOM 0 HE ARG A 70 27.468 5.469 -5.745 1.00 0.00 H new ATOM 0 HH11 ARG A 70 25.359 5.605 -8.609 1.00 0.00 H new ATOM 0 HH12 ARG A 70 25.662 7.327 -8.862 1.00 0.00 H new ATOM 0 HH21 ARG A 70 27.785 7.660 -6.086 1.00 0.00 H new ATOM 0 HH22 ARG A 70 27.017 8.474 -7.452 1.00 0.00 H new ATOM 1038 N MET A 71 28.335 2.541 -1.827 1.00 0.00 N ATOM 1039 CA MET A 71 28.784 3.005 -0.507 1.00 0.00 C ATOM 1040 C MET A 71 29.566 1.873 0.205 1.00 0.00 C ATOM 1041 O MET A 71 29.479 0.704 -0.190 1.00 0.00 O ATOM 1042 CB MET A 71 27.546 3.449 0.326 1.00 0.00 C ATOM 1043 CG MET A 71 27.857 4.288 1.581 1.00 0.00 C ATOM 1044 SD MET A 71 28.474 5.945 1.206 1.00 0.00 S ATOM 1045 CE MET A 71 27.083 6.668 0.331 1.00 0.00 C ATOM 0 H MET A 71 27.351 2.274 -1.850 1.00 0.00 H new ATOM 0 HA MET A 71 29.453 3.859 -0.615 1.00 0.00 H new ATOM 0 HB2 MET A 71 26.883 4.025 -0.320 1.00 0.00 H new ATOM 0 HB3 MET A 71 26.998 2.558 0.632 1.00 0.00 H new ATOM 0 HG2 MET A 71 26.953 4.373 2.184 1.00 0.00 H new ATOM 0 HG3 MET A 71 28.596 3.762 2.186 1.00 0.00 H new ATOM 0 HE1 MET A 71 26.903 7.676 0.704 1.00 0.00 H new ATOM 0 HE2 MET A 71 27.306 6.709 -0.735 1.00 0.00 H new ATOM 0 HE3 MET A 71 26.194 6.058 0.493 1.00 0.00 H new