USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=14 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 -162:sc= -0.0241 (180deg=-0.447) USER MOD Single : A 1 MET N :NH3+ -166:sc= 0.874 (180deg=0.737) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 8 GLN :FLIP amide:sc= -1.06 F(o=-3.4!,f=-1.1) USER MOD Single : A 11 HIS : no HE2:sc= -1.35 K(o=-1.3,f=-2.8!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.0172 USER MOD Single : A 23 GLN : amide:sc= -0.216 X(o=-0.22,f=-0.053) USER MOD Single : A 25 LYS NZ :NH3+ -152:sc= 0.791 (180deg=0.329) USER MOD Single : A 27 HIS : no HD1:sc= -0.182 X(o=-0.18,f=-0.29) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.376 K(o=-0.38,f=-0.89) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.469 USER MOD Single : A 56 GLN : amide:sc= -0.365 X(o=-0.37,f=-0.009) USER MOD Single : A 57 CYS SG : rot 77:sc= 0.322 USER MOD Single : A 63 THR OG1 : rot 113:sc= 0.27 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl 169:sc=-0.00878 (180deg=-0.184) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.065 0.408 -0.147 1.00 0.00 N ATOM 2 CA MET A 1 2.554 0.125 -1.510 1.00 0.00 C ATOM 3 C MET A 1 3.392 -1.165 -1.517 1.00 0.00 C ATOM 4 O MET A 1 4.543 -1.153 -1.077 1.00 0.00 O ATOM 5 CB MET A 1 3.384 1.321 -2.062 1.00 0.00 C ATOM 6 CG MET A 1 2.605 2.642 -2.194 1.00 0.00 C ATOM 7 SD MET A 1 3.505 3.923 -3.096 1.00 0.00 S ATOM 8 CE MET A 1 5.035 4.042 -2.172 1.00 0.00 C ATOM 0 H1 MET A 1 1.318 1.131 -0.189 1.00 0.00 H new ATOM 0 H2 MET A 1 1.681 -0.463 0.272 1.00 0.00 H new ATOM 0 H3 MET A 1 2.851 0.756 0.438 1.00 0.00 H new ATOM 0 HA MET A 1 1.692 -0.015 -2.162 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.240 1.484 -1.407 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.779 1.049 -3.041 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.660 2.448 -2.701 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.362 3.013 -1.198 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.531 4.983 -2.409 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.819 4.004 -1.104 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.688 3.211 -2.440 1.00 0.00 H new ATOM 18 N GLN A 2 2.789 -2.286 -1.954 1.00 0.00 N ATOM 19 CA GLN A 2 3.509 -3.562 -2.115 1.00 0.00 C ATOM 20 C GLN A 2 4.348 -3.504 -3.399 1.00 0.00 C ATOM 21 O GLN A 2 3.797 -3.407 -4.497 1.00 0.00 O ATOM 22 CB GLN A 2 2.521 -4.761 -2.164 1.00 0.00 C ATOM 23 CG GLN A 2 3.208 -6.144 -2.309 1.00 0.00 C ATOM 24 CD GLN A 2 2.238 -7.310 -2.543 1.00 0.00 C ATOM 25 OE1 GLN A 2 1.098 -7.306 -2.074 1.00 0.00 O ATOM 26 NE2 GLN A 2 2.691 -8.329 -3.271 1.00 0.00 N ATOM 0 H GLN A 2 1.801 -2.333 -2.203 1.00 0.00 H new ATOM 0 HA GLN A 2 4.163 -3.712 -1.256 1.00 0.00 H new ATOM 0 HB2 GLN A 2 1.920 -4.760 -1.255 1.00 0.00 H new ATOM 0 HB3 GLN A 2 1.835 -4.619 -2.999 1.00 0.00 H new ATOM 0 HG2 GLN A 2 3.913 -6.101 -3.139 1.00 0.00 H new ATOM 0 HG3 GLN A 2 3.788 -6.345 -1.408 1.00 0.00 H new ATOM 0 HE21 GLN A 2 3.639 -8.306 -3.647 1.00 0.00 H new ATOM 0 HE22 GLN A 2 2.090 -9.133 -3.453 1.00 0.00 H new ATOM 35 N LEU A 3 5.676 -3.542 -3.252 1.00 0.00 N ATOM 36 CA LEU A 3 6.609 -3.447 -4.378 1.00 0.00 C ATOM 37 C LEU A 3 7.756 -4.458 -4.203 1.00 0.00 C ATOM 38 O LEU A 3 8.048 -4.899 -3.087 1.00 0.00 O ATOM 39 CB LEU A 3 7.103 -1.970 -4.537 1.00 0.00 C ATOM 40 CG LEU A 3 7.584 -1.197 -3.252 1.00 0.00 C ATOM 41 CD1 LEU A 3 8.943 -1.708 -2.711 1.00 0.00 C ATOM 42 CD2 LEU A 3 7.641 0.321 -3.528 1.00 0.00 C ATOM 0 H LEU A 3 6.135 -3.640 -2.346 1.00 0.00 H new ATOM 0 HA LEU A 3 6.104 -3.711 -5.307 1.00 0.00 H new ATOM 0 HB2 LEU A 3 7.926 -1.971 -5.251 1.00 0.00 H new ATOM 0 HB3 LEU A 3 6.292 -1.396 -4.986 1.00 0.00 H new ATOM 0 HG LEU A 3 6.849 -1.393 -2.472 1.00 0.00 H new ATOM 0 HD11 LEU A 3 9.220 -1.136 -1.825 1.00 0.00 H new ATOM 0 HD12 LEU A 3 8.857 -2.763 -2.450 1.00 0.00 H new ATOM 0 HD13 LEU A 3 9.709 -1.585 -3.477 1.00 0.00 H new ATOM 0 HD21 LEU A 3 7.975 0.842 -2.631 1.00 0.00 H new ATOM 0 HD22 LEU A 3 8.339 0.517 -4.342 1.00 0.00 H new ATOM 0 HD23 LEU A 3 6.649 0.678 -3.806 1.00 0.00 H new ATOM 54 N PHE A 4 8.399 -4.825 -5.312 1.00 0.00 N ATOM 55 CA PHE A 4 9.479 -5.824 -5.320 1.00 0.00 C ATOM 56 C PHE A 4 10.824 -5.130 -5.080 1.00 0.00 C ATOM 57 O PHE A 4 10.990 -3.953 -5.412 1.00 0.00 O ATOM 58 CB PHE A 4 9.502 -6.611 -6.655 1.00 0.00 C ATOM 59 CG PHE A 4 8.129 -7.135 -7.076 1.00 0.00 C ATOM 60 CD1 PHE A 4 7.657 -8.361 -6.614 1.00 0.00 C ATOM 61 CD2 PHE A 4 7.310 -6.389 -7.930 1.00 0.00 C ATOM 62 CE1 PHE A 4 6.413 -8.830 -6.990 1.00 0.00 C ATOM 63 CE2 PHE A 4 6.066 -6.858 -8.305 1.00 0.00 C ATOM 64 CZ PHE A 4 5.617 -8.082 -7.837 1.00 0.00 C ATOM 0 H PHE A 4 8.189 -4.440 -6.233 1.00 0.00 H new ATOM 0 HA PHE A 4 9.297 -6.540 -4.518 1.00 0.00 H new ATOM 0 HB2 PHE A 4 9.893 -5.966 -7.442 1.00 0.00 H new ATOM 0 HB3 PHE A 4 10.190 -7.451 -6.561 1.00 0.00 H new ATOM 0 HD1 PHE A 4 8.272 -8.953 -5.953 1.00 0.00 H new ATOM 0 HD2 PHE A 4 7.654 -5.435 -8.301 1.00 0.00 H new ATOM 0 HE1 PHE A 4 6.062 -9.783 -6.622 1.00 0.00 H new ATOM 0 HE2 PHE A 4 5.443 -6.270 -8.963 1.00 0.00 H new ATOM 0 HZ PHE A 4 4.646 -8.451 -8.133 1.00 0.00 H new ATOM 74 N VAL A 5 11.770 -5.874 -4.500 1.00 0.00 N ATOM 75 CA VAL A 5 13.094 -5.375 -4.117 1.00 0.00 C ATOM 76 C VAL A 5 14.164 -6.391 -4.563 1.00 0.00 C ATOM 77 O VAL A 5 14.315 -7.467 -3.967 1.00 0.00 O ATOM 78 CB VAL A 5 13.175 -5.085 -2.566 1.00 0.00 C ATOM 79 CG1 VAL A 5 14.616 -4.804 -2.106 1.00 0.00 C ATOM 80 CG2 VAL A 5 12.248 -3.909 -2.164 1.00 0.00 C ATOM 0 H VAL A 5 11.634 -6.860 -4.279 1.00 0.00 H new ATOM 0 HA VAL A 5 13.278 -4.425 -4.619 1.00 0.00 H new ATOM 0 HB VAL A 5 12.832 -5.988 -2.061 1.00 0.00 H new ATOM 0 HG11 VAL A 5 14.624 -4.610 -1.033 1.00 0.00 H new ATOM 0 HG12 VAL A 5 15.242 -5.669 -2.323 1.00 0.00 H new ATOM 0 HG13 VAL A 5 15.004 -3.933 -2.635 1.00 0.00 H new ATOM 0 HG21 VAL A 5 12.326 -3.734 -1.091 1.00 0.00 H new ATOM 0 HG22 VAL A 5 12.548 -3.009 -2.701 1.00 0.00 H new ATOM 0 HG23 VAL A 5 11.217 -4.156 -2.417 1.00 0.00 H new ATOM 90 N ARG A 6 14.879 -6.031 -5.638 1.00 0.00 N ATOM 91 CA ARG A 6 15.903 -6.865 -6.269 1.00 0.00 C ATOM 92 C ARG A 6 17.259 -6.733 -5.531 1.00 0.00 C ATOM 93 O ARG A 6 18.032 -5.802 -5.775 1.00 0.00 O ATOM 94 CB ARG A 6 16.040 -6.470 -7.772 1.00 0.00 C ATOM 95 CG ARG A 6 17.060 -7.311 -8.576 1.00 0.00 C ATOM 96 CD ARG A 6 17.209 -6.847 -10.033 1.00 0.00 C ATOM 97 NE ARG A 6 18.198 -7.664 -10.760 1.00 0.00 N ATOM 98 CZ ARG A 6 18.420 -7.618 -12.080 1.00 0.00 C ATOM 99 NH1 ARG A 6 17.717 -6.809 -12.867 1.00 0.00 N ATOM 100 NH2 ARG A 6 19.351 -8.403 -12.608 1.00 0.00 N ATOM 0 H ARG A 6 14.756 -5.131 -6.101 1.00 0.00 H new ATOM 0 HA ARG A 6 15.600 -7.910 -6.205 1.00 0.00 H new ATOM 0 HB2 ARG A 6 15.063 -6.559 -8.247 1.00 0.00 H new ATOM 0 HB3 ARG A 6 16.329 -5.421 -7.832 1.00 0.00 H new ATOM 0 HG2 ARG A 6 18.031 -7.261 -8.084 1.00 0.00 H new ATOM 0 HG3 ARG A 6 16.750 -8.356 -8.564 1.00 0.00 H new ATOM 0 HD2 ARG A 6 16.244 -6.908 -10.536 1.00 0.00 H new ATOM 0 HD3 ARG A 6 17.514 -5.801 -10.054 1.00 0.00 H new ATOM 0 HE ARG A 6 18.759 -8.317 -10.213 1.00 0.00 H new ATOM 0 HH11 ARG A 6 16.995 -6.210 -12.468 1.00 0.00 H new ATOM 0 HH12 ARG A 6 17.900 -6.788 -13.870 1.00 0.00 H new ATOM 0 HH21 ARG A 6 19.887 -9.031 -12.010 1.00 0.00 H new ATOM 0 HH22 ARG A 6 19.530 -8.378 -13.612 1.00 0.00 H new ATOM 114 N ALA A 7 17.496 -7.649 -4.594 1.00 0.00 N ATOM 115 CA ALA A 7 18.803 -7.854 -3.945 1.00 0.00 C ATOM 116 C ALA A 7 19.354 -9.210 -4.408 1.00 0.00 C ATOM 117 O ALA A 7 18.717 -9.884 -5.235 1.00 0.00 O ATOM 118 CB ALA A 7 18.657 -7.790 -2.417 1.00 0.00 C ATOM 0 H ALA A 7 16.775 -8.285 -4.253 1.00 0.00 H new ATOM 0 HA ALA A 7 19.501 -7.067 -4.228 1.00 0.00 H new ATOM 0 HB1 ALA A 7 19.631 -7.943 -1.952 1.00 0.00 H new ATOM 0 HB2 ALA A 7 18.267 -6.814 -2.129 1.00 0.00 H new ATOM 0 HB3 ALA A 7 17.970 -8.568 -2.084 1.00 0.00 H new ATOM 124 N GLN A 8 20.556 -9.593 -3.923 1.00 0.00 N ATOM 125 CA GLN A 8 21.144 -10.926 -4.222 1.00 0.00 C ATOM 126 C GLN A 8 20.179 -12.084 -3.837 1.00 0.00 C ATOM 127 O GLN A 8 20.237 -13.166 -4.428 1.00 0.00 O ATOM 128 CB GLN A 8 22.568 -11.119 -3.611 1.00 0.00 C ATOM 129 CG GLN A 8 22.749 -10.827 -2.106 1.00 0.00 C ATOM 130 CD GLN A 8 22.868 -9.333 -1.770 1.00 0.00 C ATOM 131 OE1 GLN A 8 21.780 -8.710 -1.358 1.00 0.00 O flip ATOM 132 NE2 GLN A 8 23.952 -8.754 -1.840 1.00 0.00 N flip ATOM 0 H GLN A 8 21.138 -9.005 -3.326 1.00 0.00 H new ATOM 0 HA GLN A 8 21.277 -10.962 -5.303 1.00 0.00 H new ATOM 0 HB2 GLN A 8 22.874 -12.150 -3.792 1.00 0.00 H new ATOM 0 HB3 GLN A 8 23.259 -10.481 -4.162 1.00 0.00 H new ATOM 0 HG2 GLN A 8 21.903 -11.245 -1.561 1.00 0.00 H new ATOM 0 HG3 GLN A 8 23.642 -11.341 -1.751 1.00 0.00 H new ATOM 0 HE21 GLN A 8 24.779 -9.257 -2.162 1.00 0.00 H new ATOM 0 HE22 GLN A 8 24.023 -7.771 -1.576 1.00 0.00 H new ATOM 141 N GLU A 9 19.295 -11.841 -2.854 1.00 0.00 N ATOM 142 CA GLU A 9 18.037 -12.611 -2.679 1.00 0.00 C ATOM 143 C GLU A 9 16.853 -11.683 -2.999 1.00 0.00 C ATOM 144 O GLU A 9 16.839 -10.530 -2.548 1.00 0.00 O ATOM 145 CB GLU A 9 17.912 -13.174 -1.235 1.00 0.00 C ATOM 146 CG GLU A 9 18.930 -14.275 -0.889 1.00 0.00 C ATOM 147 CD GLU A 9 18.789 -15.539 -1.762 1.00 0.00 C ATOM 148 OE1 GLU A 9 17.857 -16.339 -1.515 1.00 0.00 O ATOM 149 OE2 GLU A 9 19.593 -15.739 -2.707 1.00 0.00 O ATOM 0 H GLU A 9 19.426 -11.108 -2.156 1.00 0.00 H new ATOM 0 HA GLU A 9 18.041 -13.465 -3.356 1.00 0.00 H new ATOM 0 HB2 GLU A 9 18.029 -12.353 -0.527 1.00 0.00 H new ATOM 0 HB3 GLU A 9 16.906 -13.571 -1.099 1.00 0.00 H new ATOM 0 HG2 GLU A 9 19.938 -13.876 -1.002 1.00 0.00 H new ATOM 0 HG3 GLU A 9 18.812 -14.552 0.159 1.00 0.00 H new ATOM 156 N LEU A 10 15.881 -12.176 -3.793 1.00 0.00 N ATOM 157 CA LEU A 10 14.691 -11.392 -4.186 1.00 0.00 C ATOM 158 C LEU A 10 13.776 -11.182 -2.959 1.00 0.00 C ATOM 159 O LEU A 10 13.571 -12.098 -2.151 1.00 0.00 O ATOM 160 CB LEU A 10 13.941 -12.091 -5.372 1.00 0.00 C ATOM 161 CG LEU A 10 12.833 -11.272 -6.163 1.00 0.00 C ATOM 162 CD1 LEU A 10 11.475 -11.204 -5.425 1.00 0.00 C ATOM 163 CD2 LEU A 10 13.332 -9.851 -6.534 1.00 0.00 C ATOM 0 H LEU A 10 15.897 -13.121 -4.177 1.00 0.00 H new ATOM 0 HA LEU A 10 15.002 -10.409 -4.541 1.00 0.00 H new ATOM 0 HB2 LEU A 10 14.692 -12.413 -6.094 1.00 0.00 H new ATOM 0 HB3 LEU A 10 13.469 -12.992 -4.979 1.00 0.00 H new ATOM 0 HG LEU A 10 12.656 -11.828 -7.084 1.00 0.00 H new ATOM 0 HD11 LEU A 10 10.765 -10.630 -6.021 1.00 0.00 H new ATOM 0 HD12 LEU A 10 11.091 -12.213 -5.276 1.00 0.00 H new ATOM 0 HD13 LEU A 10 11.610 -10.720 -4.458 1.00 0.00 H new ATOM 0 HD21 LEU A 10 12.548 -9.320 -7.074 1.00 0.00 H new ATOM 0 HD22 LEU A 10 13.581 -9.304 -5.625 1.00 0.00 H new ATOM 0 HD23 LEU A 10 14.218 -9.929 -7.164 1.00 0.00 H new ATOM 175 N HIS A 11 13.259 -9.954 -2.836 1.00 0.00 N ATOM 176 CA HIS A 11 12.391 -9.531 -1.725 1.00 0.00 C ATOM 177 C HIS A 11 11.130 -8.853 -2.301 1.00 0.00 C ATOM 178 O HIS A 11 11.108 -8.473 -3.476 1.00 0.00 O ATOM 179 CB HIS A 11 13.141 -8.533 -0.798 1.00 0.00 C ATOM 180 CG HIS A 11 14.515 -8.972 -0.331 1.00 0.00 C ATOM 181 ND1 HIS A 11 14.781 -10.203 0.224 1.00 0.00 N ATOM 182 CD2 HIS A 11 15.700 -8.313 -0.338 1.00 0.00 C ATOM 183 CE1 HIS A 11 16.058 -10.276 0.542 1.00 0.00 C ATOM 184 NE2 HIS A 11 16.637 -9.146 0.214 1.00 0.00 N ATOM 0 H HIS A 11 13.433 -9.213 -3.515 1.00 0.00 H new ATOM 0 HA HIS A 11 12.110 -10.406 -1.139 1.00 0.00 H new ATOM 0 HB2 HIS A 11 13.243 -7.584 -1.324 1.00 0.00 H new ATOM 0 HB3 HIS A 11 12.522 -8.346 0.080 1.00 0.00 H new ATOM 0 HD1 HIS A 11 14.095 -10.945 0.367 1.00 0.00 H new ATOM 0 HD2 HIS A 11 15.873 -7.314 -0.711 1.00 0.00 H new ATOM 0 HE1 HIS A 11 16.546 -11.125 0.997 1.00 0.00 H new ATOM 193 N THR A 12 10.082 -8.746 -1.477 1.00 0.00 N ATOM 194 CA THR A 12 8.856 -7.983 -1.795 1.00 0.00 C ATOM 195 C THR A 12 8.355 -7.299 -0.500 1.00 0.00 C ATOM 196 O THR A 12 7.929 -7.980 0.443 1.00 0.00 O ATOM 197 CB THR A 12 7.746 -8.913 -2.401 1.00 0.00 C ATOM 198 OG1 THR A 12 8.277 -9.625 -3.538 1.00 0.00 O ATOM 199 CG2 THR A 12 6.494 -8.124 -2.843 1.00 0.00 C ATOM 0 H THR A 12 10.055 -9.189 -0.559 1.00 0.00 H new ATOM 0 HA THR A 12 9.084 -7.229 -2.548 1.00 0.00 H new ATOM 0 HB THR A 12 7.445 -9.608 -1.617 1.00 0.00 H new ATOM 0 HG1 THR A 12 7.583 -10.206 -3.914 1.00 0.00 H new ATOM 0 HG21 THR A 12 5.757 -8.813 -3.255 1.00 0.00 H new ATOM 0 HG22 THR A 12 6.067 -7.607 -1.983 1.00 0.00 H new ATOM 0 HG23 THR A 12 6.773 -7.394 -3.603 1.00 0.00 H new ATOM 207 N PHE A 13 8.433 -5.948 -0.454 1.00 0.00 N ATOM 208 CA PHE A 13 8.148 -5.149 0.756 1.00 0.00 C ATOM 209 C PHE A 13 6.891 -4.287 0.569 1.00 0.00 C ATOM 210 O PHE A 13 6.720 -3.627 -0.457 1.00 0.00 O ATOM 211 CB PHE A 13 9.358 -4.234 1.119 1.00 0.00 C ATOM 212 CG PHE A 13 10.525 -4.963 1.794 1.00 0.00 C ATOM 213 CD1 PHE A 13 10.540 -5.155 3.177 1.00 0.00 C ATOM 214 CD2 PHE A 13 11.608 -5.437 1.061 1.00 0.00 C ATOM 215 CE1 PHE A 13 11.598 -5.797 3.799 1.00 0.00 C ATOM 216 CE2 PHE A 13 12.667 -6.072 1.684 1.00 0.00 C ATOM 217 CZ PHE A 13 12.663 -6.250 3.050 1.00 0.00 C ATOM 0 H PHE A 13 8.697 -5.382 -1.260 1.00 0.00 H new ATOM 0 HA PHE A 13 7.975 -5.850 1.573 1.00 0.00 H new ATOM 0 HB2 PHE A 13 9.722 -3.756 0.209 1.00 0.00 H new ATOM 0 HB3 PHE A 13 9.011 -3.439 1.780 1.00 0.00 H new ATOM 0 HD1 PHE A 13 9.713 -4.797 3.772 1.00 0.00 H new ATOM 0 HD2 PHE A 13 11.622 -5.307 -0.011 1.00 0.00 H new ATOM 0 HE1 PHE A 13 11.589 -5.942 4.869 1.00 0.00 H new ATOM 0 HE2 PHE A 13 13.500 -6.430 1.097 1.00 0.00 H new ATOM 0 HZ PHE A 13 13.493 -6.744 3.533 1.00 0.00 H new ATOM 227 N GLU A 14 5.997 -4.326 1.568 1.00 0.00 N ATOM 228 CA GLU A 14 4.897 -3.362 1.696 1.00 0.00 C ATOM 229 C GLU A 14 5.446 -2.108 2.409 1.00 0.00 C ATOM 230 O GLU A 14 5.872 -2.174 3.570 1.00 0.00 O ATOM 231 CB GLU A 14 3.699 -4.006 2.459 1.00 0.00 C ATOM 232 CG GLU A 14 4.058 -4.666 3.813 1.00 0.00 C ATOM 233 CD GLU A 14 2.865 -5.356 4.491 1.00 0.00 C ATOM 234 OE1 GLU A 14 2.614 -6.552 4.212 1.00 0.00 O ATOM 235 OE2 GLU A 14 2.165 -4.707 5.303 1.00 0.00 O ATOM 0 H GLU A 14 6.017 -5.027 2.309 1.00 0.00 H new ATOM 0 HA GLU A 14 4.516 -3.071 0.717 1.00 0.00 H new ATOM 0 HB2 GLU A 14 2.946 -3.238 2.636 1.00 0.00 H new ATOM 0 HB3 GLU A 14 3.242 -4.758 1.816 1.00 0.00 H new ATOM 0 HG2 GLU A 14 4.849 -5.399 3.653 1.00 0.00 H new ATOM 0 HG3 GLU A 14 4.458 -3.906 4.484 1.00 0.00 H new ATOM 242 N VAL A 15 5.489 -0.970 1.694 1.00 0.00 N ATOM 243 CA VAL A 15 6.101 0.267 2.198 1.00 0.00 C ATOM 244 C VAL A 15 5.008 1.308 2.489 1.00 0.00 C ATOM 245 O VAL A 15 4.031 1.437 1.736 1.00 0.00 O ATOM 246 CB VAL A 15 7.180 0.838 1.191 1.00 0.00 C ATOM 247 CG1 VAL A 15 8.231 -0.239 0.824 1.00 0.00 C ATOM 248 CG2 VAL A 15 6.550 1.431 -0.091 1.00 0.00 C ATOM 0 H VAL A 15 5.101 -0.884 0.754 1.00 0.00 H new ATOM 0 HA VAL A 15 6.625 0.037 3.126 1.00 0.00 H new ATOM 0 HB VAL A 15 7.679 1.655 1.713 1.00 0.00 H new ATOM 0 HG11 VAL A 15 8.958 0.184 0.131 1.00 0.00 H new ATOM 0 HG12 VAL A 15 8.742 -0.572 1.728 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.734 -1.088 0.355 1.00 0.00 H new ATOM 0 HG21 VAL A 15 7.338 1.807 -0.743 1.00 0.00 H new ATOM 0 HG22 VAL A 15 5.987 0.656 -0.611 1.00 0.00 H new ATOM 0 HG23 VAL A 15 5.880 2.248 0.177 1.00 0.00 H new ATOM 258 N THR A 16 5.181 2.030 3.607 1.00 0.00 N ATOM 259 CA THR A 16 4.209 3.023 4.098 1.00 0.00 C ATOM 260 C THR A 16 4.259 4.326 3.263 1.00 0.00 C ATOM 261 O THR A 16 3.321 5.135 3.287 1.00 0.00 O ATOM 262 CB THR A 16 4.491 3.328 5.609 1.00 0.00 C ATOM 263 OG1 THR A 16 4.683 2.089 6.306 1.00 0.00 O ATOM 264 CG2 THR A 16 3.346 4.111 6.295 1.00 0.00 C ATOM 0 H THR A 16 6.005 1.941 4.201 1.00 0.00 H new ATOM 0 HA THR A 16 3.207 2.607 3.993 1.00 0.00 H new ATOM 0 HB THR A 16 5.382 3.954 5.649 1.00 0.00 H new ATOM 0 HG1 THR A 16 4.862 2.270 7.252 1.00 0.00 H new ATOM 0 HG21 THR A 16 3.603 4.290 7.339 1.00 0.00 H new ATOM 0 HG22 THR A 16 3.202 5.065 5.787 1.00 0.00 H new ATOM 0 HG23 THR A 16 2.425 3.530 6.242 1.00 0.00 H new ATOM 272 N GLY A 17 5.364 4.511 2.516 1.00 0.00 N ATOM 273 CA GLY A 17 5.591 5.725 1.735 1.00 0.00 C ATOM 274 C GLY A 17 6.427 6.725 2.512 1.00 0.00 C ATOM 275 O GLY A 17 7.495 7.134 2.060 1.00 0.00 O ATOM 0 H GLY A 17 6.115 3.824 2.442 1.00 0.00 H new ATOM 0 HA2 GLY A 17 6.095 5.472 0.802 1.00 0.00 H new ATOM 0 HA3 GLY A 17 4.634 6.175 1.469 1.00 0.00 H new ATOM 279 N GLN A 18 5.940 7.086 3.717 1.00 0.00 N ATOM 280 CA GLN A 18 6.696 7.914 4.685 1.00 0.00 C ATOM 281 C GLN A 18 7.850 7.117 5.336 1.00 0.00 C ATOM 282 O GLN A 18 8.653 7.676 6.090 1.00 0.00 O ATOM 283 CB GLN A 18 5.746 8.485 5.760 1.00 0.00 C ATOM 284 CG GLN A 18 4.981 7.431 6.576 1.00 0.00 C ATOM 285 CD GLN A 18 4.079 8.046 7.648 1.00 0.00 C ATOM 286 OE1 GLN A 18 2.913 8.358 7.395 1.00 0.00 O ATOM 287 NE2 GLN A 18 4.606 8.217 8.848 1.00 0.00 N ATOM 0 H GLN A 18 5.014 6.814 4.048 1.00 0.00 H new ATOM 0 HA GLN A 18 7.143 8.744 4.138 1.00 0.00 H new ATOM 0 HB2 GLN A 18 6.326 9.102 6.445 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.024 9.141 5.274 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.375 6.827 5.901 1.00 0.00 H new ATOM 0 HG3 GLN A 18 5.695 6.759 7.051 1.00 0.00 H new ATOM 0 HE21 GLN A 18 5.574 7.948 9.023 1.00 0.00 H new ATOM 0 HE22 GLN A 18 4.045 8.618 9.599 1.00 0.00 H new ATOM 296 N GLU A 19 7.896 5.802 5.052 1.00 0.00 N ATOM 297 CA GLU A 19 9.070 4.959 5.317 1.00 0.00 C ATOM 298 C GLU A 19 10.255 5.453 4.454 1.00 0.00 C ATOM 299 O GLU A 19 10.037 5.913 3.327 1.00 0.00 O ATOM 300 CB GLU A 19 8.729 3.480 4.983 1.00 0.00 C ATOM 301 CG GLU A 19 9.858 2.467 5.276 1.00 0.00 C ATOM 302 CD GLU A 19 10.166 2.307 6.778 1.00 0.00 C ATOM 303 OE1 GLU A 19 10.836 3.185 7.360 1.00 0.00 O ATOM 304 OE2 GLU A 19 9.726 1.309 7.382 1.00 0.00 O ATOM 0 H GLU A 19 7.117 5.296 4.631 1.00 0.00 H new ATOM 0 HA GLU A 19 9.348 5.024 6.369 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.845 3.190 5.550 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.466 3.413 3.927 1.00 0.00 H new ATOM 0 HG2 GLU A 19 9.580 1.497 4.865 1.00 0.00 H new ATOM 0 HG3 GLU A 19 10.764 2.785 4.759 1.00 0.00 H new ATOM 311 N THR A 20 11.495 5.374 4.971 1.00 0.00 N ATOM 312 CA THR A 20 12.687 5.875 4.246 1.00 0.00 C ATOM 313 C THR A 20 13.382 4.763 3.443 1.00 0.00 C ATOM 314 O THR A 20 13.299 3.585 3.791 1.00 0.00 O ATOM 315 CB THR A 20 13.724 6.540 5.210 1.00 0.00 C ATOM 316 OG1 THR A 20 14.115 5.613 6.235 1.00 0.00 O ATOM 317 CG2 THR A 20 13.172 7.817 5.855 1.00 0.00 C ATOM 0 H THR A 20 11.702 4.970 5.885 1.00 0.00 H new ATOM 0 HA THR A 20 12.318 6.631 3.553 1.00 0.00 H new ATOM 0 HB THR A 20 14.592 6.815 4.611 1.00 0.00 H new ATOM 0 HG1 THR A 20 14.765 6.040 6.831 1.00 0.00 H new ATOM 0 HG21 THR A 20 13.925 8.245 6.516 1.00 0.00 H new ATOM 0 HG22 THR A 20 12.920 8.538 5.077 1.00 0.00 H new ATOM 0 HG23 THR A 20 12.278 7.577 6.431 1.00 0.00 H new ATOM 325 N VAL A 21 14.083 5.179 2.366 1.00 0.00 N ATOM 326 CA VAL A 21 14.970 4.315 1.565 1.00 0.00 C ATOM 327 C VAL A 21 16.066 3.676 2.461 1.00 0.00 C ATOM 328 O VAL A 21 16.464 2.523 2.235 1.00 0.00 O ATOM 329 CB VAL A 21 15.604 5.158 0.383 1.00 0.00 C ATOM 330 CG1 VAL A 21 16.794 4.449 -0.289 1.00 0.00 C ATOM 331 CG2 VAL A 21 14.531 5.527 -0.677 1.00 0.00 C ATOM 0 H VAL A 21 14.046 6.140 2.025 1.00 0.00 H new ATOM 0 HA VAL A 21 14.388 3.500 1.134 1.00 0.00 H new ATOM 0 HB VAL A 21 15.989 6.072 0.835 1.00 0.00 H new ATOM 0 HG11 VAL A 21 17.185 5.076 -1.090 1.00 0.00 H new ATOM 0 HG12 VAL A 21 17.577 4.273 0.449 1.00 0.00 H new ATOM 0 HG13 VAL A 21 16.464 3.496 -0.702 1.00 0.00 H new ATOM 0 HG21 VAL A 21 14.993 6.105 -1.477 1.00 0.00 H new ATOM 0 HG22 VAL A 21 14.100 4.615 -1.091 1.00 0.00 H new ATOM 0 HG23 VAL A 21 13.745 6.120 -0.208 1.00 0.00 H new ATOM 341 N ALA A 22 16.501 4.443 3.487 1.00 0.00 N ATOM 342 CA ALA A 22 17.493 4.004 4.485 1.00 0.00 C ATOM 343 C ALA A 22 17.008 2.762 5.225 1.00 0.00 C ATOM 344 O ALA A 22 17.702 1.747 5.280 1.00 0.00 O ATOM 345 CB ALA A 22 17.779 5.131 5.489 1.00 0.00 C ATOM 0 H ALA A 22 16.167 5.394 3.643 1.00 0.00 H new ATOM 0 HA ALA A 22 18.414 3.756 3.957 1.00 0.00 H new ATOM 0 HB1 ALA A 22 18.513 4.790 6.219 1.00 0.00 H new ATOM 0 HB2 ALA A 22 18.170 6.000 4.959 1.00 0.00 H new ATOM 0 HB3 ALA A 22 16.857 5.404 6.002 1.00 0.00 H new ATOM 351 N GLN A 23 15.796 2.854 5.781 1.00 0.00 N ATOM 352 CA GLN A 23 15.181 1.747 6.513 1.00 0.00 C ATOM 353 C GLN A 23 14.897 0.562 5.578 1.00 0.00 C ATOM 354 O GLN A 23 15.061 -0.570 5.988 1.00 0.00 O ATOM 355 CB GLN A 23 13.902 2.219 7.240 1.00 0.00 C ATOM 356 CG GLN A 23 14.157 3.176 8.429 1.00 0.00 C ATOM 357 CD GLN A 23 14.899 2.507 9.592 1.00 0.00 C ATOM 358 OE1 GLN A 23 14.280 1.953 10.504 1.00 0.00 O ATOM 359 NE2 GLN A 23 16.224 2.542 9.565 1.00 0.00 N ATOM 0 H GLN A 23 15.218 3.693 5.736 1.00 0.00 H new ATOM 0 HA GLN A 23 15.884 1.402 7.271 1.00 0.00 H new ATOM 0 HB2 GLN A 23 13.253 2.719 6.520 1.00 0.00 H new ATOM 0 HB3 GLN A 23 13.362 1.345 7.603 1.00 0.00 H new ATOM 0 HG2 GLN A 23 14.736 4.032 8.081 1.00 0.00 H new ATOM 0 HG3 GLN A 23 13.203 3.561 8.788 1.00 0.00 H new ATOM 0 HE21 GLN A 23 16.706 3.008 8.797 1.00 0.00 H new ATOM 0 HE22 GLN A 23 16.761 2.103 10.313 1.00 0.00 H new ATOM 368 N ILE A 24 14.509 0.835 4.318 1.00 0.00 N ATOM 369 CA ILE A 24 14.243 -0.225 3.310 1.00 0.00 C ATOM 370 C ILE A 24 15.499 -1.088 3.045 1.00 0.00 C ATOM 371 O ILE A 24 15.425 -2.320 3.125 1.00 0.00 O ATOM 372 CB ILE A 24 13.677 0.373 1.957 1.00 0.00 C ATOM 373 CG1 ILE A 24 12.268 1.009 2.190 1.00 0.00 C ATOM 374 CG2 ILE A 24 13.623 -0.680 0.807 1.00 0.00 C ATOM 375 CD1 ILE A 24 11.223 0.059 2.766 1.00 0.00 C ATOM 0 H ILE A 24 14.371 1.783 3.967 1.00 0.00 H new ATOM 0 HA ILE A 24 13.474 -0.872 3.732 1.00 0.00 H new ATOM 0 HB ILE A 24 14.372 1.149 1.637 1.00 0.00 H new ATOM 0 HG12 ILE A 24 12.376 1.859 2.864 1.00 0.00 H new ATOM 0 HG13 ILE A 24 11.900 1.399 1.241 1.00 0.00 H new ATOM 0 HG21 ILE A 24 13.227 -0.214 -0.095 1.00 0.00 H new ATOM 0 HG22 ILE A 24 14.627 -1.056 0.610 1.00 0.00 H new ATOM 0 HG23 ILE A 24 12.977 -1.507 1.101 1.00 0.00 H new ATOM 0 HD11 ILE A 24 10.279 0.590 2.892 1.00 0.00 H new ATOM 0 HD12 ILE A 24 11.079 -0.780 2.085 1.00 0.00 H new ATOM 0 HD13 ILE A 24 11.563 -0.313 3.733 1.00 0.00 H new ATOM 387 N LYS A 25 16.649 -0.436 2.768 1.00 0.00 N ATOM 388 CA LYS A 25 17.921 -1.147 2.507 1.00 0.00 C ATOM 389 C LYS A 25 18.417 -1.831 3.805 1.00 0.00 C ATOM 390 O LYS A 25 19.051 -2.884 3.748 1.00 0.00 O ATOM 391 CB LYS A 25 19.000 -0.183 1.928 1.00 0.00 C ATOM 392 CG LYS A 25 19.459 0.928 2.900 1.00 0.00 C ATOM 393 CD LYS A 25 20.590 1.803 2.334 1.00 0.00 C ATOM 394 CE LYS A 25 21.155 2.804 3.355 1.00 0.00 C ATOM 395 NZ LYS A 25 22.370 3.502 2.846 1.00 0.00 N ATOM 0 H LYS A 25 16.723 0.580 2.719 1.00 0.00 H new ATOM 0 HA LYS A 25 17.742 -1.916 1.755 1.00 0.00 H new ATOM 0 HB2 LYS A 25 19.870 -0.769 1.630 1.00 0.00 H new ATOM 0 HB3 LYS A 25 18.605 0.283 1.025 1.00 0.00 H new ATOM 0 HG2 LYS A 25 18.607 1.562 3.145 1.00 0.00 H new ATOM 0 HG3 LYS A 25 19.794 0.471 3.831 1.00 0.00 H new ATOM 0 HD2 LYS A 25 21.396 1.159 1.982 1.00 0.00 H new ATOM 0 HD3 LYS A 25 20.218 2.350 1.468 1.00 0.00 H new ATOM 0 HE2 LYS A 25 20.390 3.541 3.600 1.00 0.00 H new ATOM 0 HE3 LYS A 25 21.400 2.279 4.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 22.974 3.776 3.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 22.898 2.865 2.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 22.087 4.353 2.319 1.00 0.00 H new ATOM 409 N ALA A 26 18.095 -1.219 4.970 1.00 0.00 N ATOM 410 CA ALA A 26 18.404 -1.782 6.291 1.00 0.00 C ATOM 411 C ALA A 26 17.620 -3.077 6.548 1.00 0.00 C ATOM 412 O ALA A 26 18.180 -4.027 7.071 1.00 0.00 O ATOM 413 CB ALA A 26 18.138 -0.746 7.397 1.00 0.00 C ATOM 0 H ALA A 26 17.613 -0.321 5.012 1.00 0.00 H new ATOM 0 HA ALA A 26 19.464 -2.035 6.307 1.00 0.00 H new ATOM 0 HB1 ALA A 26 18.373 -1.182 8.368 1.00 0.00 H new ATOM 0 HB2 ALA A 26 18.764 0.131 7.232 1.00 0.00 H new ATOM 0 HB3 ALA A 26 17.089 -0.452 7.375 1.00 0.00 H new ATOM 419 N HIS A 27 16.323 -3.106 6.154 1.00 0.00 N ATOM 420 CA HIS A 27 15.451 -4.299 6.304 1.00 0.00 C ATOM 421 C HIS A 27 16.022 -5.466 5.481 1.00 0.00 C ATOM 422 O HIS A 27 16.154 -6.588 5.974 1.00 0.00 O ATOM 423 CB HIS A 27 13.991 -3.998 5.842 1.00 0.00 C ATOM 424 CG HIS A 27 13.288 -2.886 6.587 1.00 0.00 C ATOM 425 ND1 HIS A 27 12.373 -2.047 5.985 1.00 0.00 N ATOM 426 CD2 HIS A 27 13.370 -2.470 7.880 1.00 0.00 C ATOM 427 CE1 HIS A 27 11.933 -1.172 6.866 1.00 0.00 C ATOM 428 NE2 HIS A 27 12.518 -1.404 8.021 1.00 0.00 N ATOM 0 H HIS A 27 15.853 -2.308 5.726 1.00 0.00 H new ATOM 0 HA HIS A 27 15.425 -4.568 7.360 1.00 0.00 H new ATOM 0 HB2 HIS A 27 14.009 -3.746 4.782 1.00 0.00 H new ATOM 0 HB3 HIS A 27 13.401 -4.909 5.944 1.00 0.00 H new ATOM 0 HD2 HIS A 27 13.991 -2.900 8.652 1.00 0.00 H new ATOM 0 HE1 HIS A 27 11.211 -0.393 6.672 1.00 0.00 H new ATOM 0 HE2 HIS A 27 12.363 -0.877 8.881 1.00 0.00 H new ATOM 437 N VAL A 28 16.397 -5.137 4.234 1.00 0.00 N ATOM 438 CA VAL A 28 17.041 -6.064 3.283 1.00 0.00 C ATOM 439 C VAL A 28 18.332 -6.664 3.892 1.00 0.00 C ATOM 440 O VAL A 28 18.540 -7.885 3.886 1.00 0.00 O ATOM 441 CB VAL A 28 17.368 -5.280 1.952 1.00 0.00 C ATOM 442 CG1 VAL A 28 18.210 -6.105 0.967 1.00 0.00 C ATOM 443 CG2 VAL A 28 16.075 -4.786 1.271 1.00 0.00 C ATOM 0 H VAL A 28 16.259 -4.202 3.849 1.00 0.00 H new ATOM 0 HA VAL A 28 16.364 -6.890 3.065 1.00 0.00 H new ATOM 0 HB VAL A 28 17.969 -4.418 2.242 1.00 0.00 H new ATOM 0 HG11 VAL A 28 18.404 -5.515 0.071 1.00 0.00 H new ATOM 0 HG12 VAL A 28 19.157 -6.375 1.435 1.00 0.00 H new ATOM 0 HG13 VAL A 28 17.668 -7.011 0.695 1.00 0.00 H new ATOM 0 HG21 VAL A 28 16.328 -4.249 0.357 1.00 0.00 H new ATOM 0 HG22 VAL A 28 15.443 -5.640 1.028 1.00 0.00 H new ATOM 0 HG23 VAL A 28 15.540 -4.119 1.947 1.00 0.00 H new ATOM 453 N ALA A 29 19.158 -5.766 4.447 1.00 0.00 N ATOM 454 CA ALA A 29 20.451 -6.098 5.053 1.00 0.00 C ATOM 455 C ALA A 29 20.309 -6.859 6.385 1.00 0.00 C ATOM 456 O ALA A 29 21.196 -7.625 6.746 1.00 0.00 O ATOM 457 CB ALA A 29 21.266 -4.811 5.240 1.00 0.00 C ATOM 0 H ALA A 29 18.940 -4.770 4.487 1.00 0.00 H new ATOM 0 HA ALA A 29 20.975 -6.773 4.376 1.00 0.00 H new ATOM 0 HB1 ALA A 29 22.229 -5.052 5.690 1.00 0.00 H new ATOM 0 HB2 ALA A 29 21.427 -4.338 4.271 1.00 0.00 H new ATOM 0 HB3 ALA A 29 20.722 -4.127 5.891 1.00 0.00 H new ATOM 463 N SER A 30 19.199 -6.631 7.106 1.00 0.00 N ATOM 464 CA SER A 30 18.910 -7.297 8.394 1.00 0.00 C ATOM 465 C SER A 30 18.424 -8.745 8.170 1.00 0.00 C ATOM 466 O SER A 30 18.665 -9.626 9.002 1.00 0.00 O ATOM 467 CB SER A 30 17.865 -6.473 9.180 1.00 0.00 C ATOM 468 OG SER A 30 17.656 -6.986 10.488 1.00 0.00 O ATOM 0 H SER A 30 18.472 -5.978 6.814 1.00 0.00 H new ATOM 0 HA SER A 30 19.828 -7.350 8.980 1.00 0.00 H new ATOM 0 HB2 SER A 30 18.196 -5.437 9.246 1.00 0.00 H new ATOM 0 HB3 SER A 30 16.921 -6.472 8.636 1.00 0.00 H new ATOM 0 HG SER A 30 16.990 -6.437 10.952 1.00 0.00 H new ATOM 474 N LEU A 31 17.731 -8.968 7.040 1.00 0.00 N ATOM 475 CA LEU A 31 17.263 -10.306 6.629 1.00 0.00 C ATOM 476 C LEU A 31 18.433 -11.176 6.131 1.00 0.00 C ATOM 477 O LEU A 31 18.550 -12.352 6.504 1.00 0.00 O ATOM 478 CB LEU A 31 16.176 -10.171 5.529 1.00 0.00 C ATOM 479 CG LEU A 31 14.827 -9.530 5.994 1.00 0.00 C ATOM 480 CD1 LEU A 31 13.903 -9.216 4.800 1.00 0.00 C ATOM 481 CD2 LEU A 31 14.102 -10.440 7.017 1.00 0.00 C ATOM 0 H LEU A 31 17.479 -8.227 6.385 1.00 0.00 H new ATOM 0 HA LEU A 31 16.829 -10.801 7.498 1.00 0.00 H new ATOM 0 HB2 LEU A 31 16.581 -9.572 4.713 1.00 0.00 H new ATOM 0 HB3 LEU A 31 15.968 -11.161 5.124 1.00 0.00 H new ATOM 0 HG LEU A 31 15.070 -8.587 6.483 1.00 0.00 H new ATOM 0 HD11 LEU A 31 12.976 -8.772 5.164 1.00 0.00 H new ATOM 0 HD12 LEU A 31 14.401 -8.517 4.128 1.00 0.00 H new ATOM 0 HD13 LEU A 31 13.677 -10.137 4.262 1.00 0.00 H new ATOM 0 HD21 LEU A 31 13.167 -9.970 7.323 1.00 0.00 H new ATOM 0 HD22 LEU A 31 13.890 -11.406 6.558 1.00 0.00 H new ATOM 0 HD23 LEU A 31 14.738 -10.585 7.890 1.00 0.00 H new ATOM 493 N GLU A 32 19.299 -10.578 5.291 1.00 0.00 N ATOM 494 CA GLU A 32 20.428 -11.289 4.651 1.00 0.00 C ATOM 495 C GLU A 32 21.686 -11.316 5.545 1.00 0.00 C ATOM 496 O GLU A 32 22.552 -12.179 5.375 1.00 0.00 O ATOM 497 CB GLU A 32 20.730 -10.650 3.273 1.00 0.00 C ATOM 498 CG GLU A 32 19.539 -10.737 2.290 1.00 0.00 C ATOM 499 CD GLU A 32 19.823 -10.108 0.916 1.00 0.00 C ATOM 500 OE1 GLU A 32 19.788 -8.871 0.809 1.00 0.00 O ATOM 501 OE2 GLU A 32 20.051 -10.843 -0.066 1.00 0.00 O ATOM 0 H GLU A 32 19.238 -9.592 5.036 1.00 0.00 H new ATOM 0 HA GLU A 32 20.135 -12.329 4.506 1.00 0.00 H new ATOM 0 HB2 GLU A 32 21.000 -9.604 3.416 1.00 0.00 H new ATOM 0 HB3 GLU A 32 21.595 -11.145 2.831 1.00 0.00 H new ATOM 0 HG2 GLU A 32 19.270 -11.784 2.151 1.00 0.00 H new ATOM 0 HG3 GLU A 32 18.676 -10.242 2.735 1.00 0.00 H new ATOM 508 N GLY A 33 21.770 -10.370 6.495 1.00 0.00 N ATOM 509 CA GLY A 33 22.895 -10.292 7.439 1.00 0.00 C ATOM 510 C GLY A 33 24.122 -9.584 6.860 1.00 0.00 C ATOM 511 O GLY A 33 25.260 -9.939 7.174 1.00 0.00 O ATOM 0 H GLY A 33 21.066 -9.644 6.629 1.00 0.00 H new ATOM 0 HA2 GLY A 33 22.571 -9.766 8.337 1.00 0.00 H new ATOM 0 HA3 GLY A 33 23.176 -11.300 7.743 1.00 0.00 H new ATOM 515 N ILE A 34 23.884 -8.580 5.999 1.00 0.00 N ATOM 516 CA ILE A 34 24.944 -7.718 5.417 1.00 0.00 C ATOM 517 C ILE A 34 24.850 -6.295 6.005 1.00 0.00 C ATOM 518 O ILE A 34 23.891 -5.983 6.721 1.00 0.00 O ATOM 519 CB ILE A 34 24.863 -7.707 3.837 1.00 0.00 C ATOM 520 CG1 ILE A 34 23.405 -7.383 3.343 1.00 0.00 C ATOM 521 CG2 ILE A 34 25.374 -9.052 3.255 1.00 0.00 C ATOM 522 CD1 ILE A 34 23.172 -7.487 1.839 1.00 0.00 C ATOM 0 H ILE A 34 22.946 -8.337 5.681 1.00 0.00 H new ATOM 0 HA ILE A 34 25.918 -8.129 5.683 1.00 0.00 H new ATOM 0 HB ILE A 34 25.513 -6.913 3.469 1.00 0.00 H new ATOM 0 HG12 ILE A 34 22.713 -8.059 3.846 1.00 0.00 H new ATOM 0 HG13 ILE A 34 23.151 -6.372 3.661 1.00 0.00 H new ATOM 0 HG21 ILE A 34 25.311 -9.025 2.167 1.00 0.00 H new ATOM 0 HG22 ILE A 34 26.410 -9.208 3.554 1.00 0.00 H new ATOM 0 HG23 ILE A 34 24.760 -9.869 3.634 1.00 0.00 H new ATOM 0 HD11 ILE A 34 22.134 -7.243 1.614 1.00 0.00 H new ATOM 0 HD12 ILE A 34 23.830 -6.790 1.320 1.00 0.00 H new ATOM 0 HD13 ILE A 34 23.386 -8.503 1.507 1.00 0.00 H new ATOM 534 N ALA A 35 25.854 -5.444 5.710 1.00 0.00 N ATOM 535 CA ALA A 35 25.991 -4.101 6.326 1.00 0.00 C ATOM 536 C ALA A 35 25.049 -3.062 5.658 1.00 0.00 C ATOM 537 O ALA A 35 25.271 -2.699 4.512 1.00 0.00 O ATOM 538 CB ALA A 35 27.459 -3.649 6.238 1.00 0.00 C ATOM 0 H ALA A 35 26.592 -5.664 5.041 1.00 0.00 H new ATOM 0 HA ALA A 35 25.695 -4.168 7.373 1.00 0.00 H new ATOM 0 HB1 ALA A 35 27.564 -2.662 6.690 1.00 0.00 H new ATOM 0 HB2 ALA A 35 28.091 -4.360 6.769 1.00 0.00 H new ATOM 0 HB3 ALA A 35 27.764 -3.604 5.192 1.00 0.00 H new ATOM 544 N PRO A 36 23.986 -2.549 6.373 1.00 0.00 N ATOM 545 CA PRO A 36 22.970 -1.619 5.792 1.00 0.00 C ATOM 546 C PRO A 36 23.572 -0.335 5.168 1.00 0.00 C ATOM 547 O PRO A 36 23.116 0.113 4.105 1.00 0.00 O ATOM 548 CB PRO A 36 22.041 -1.294 7.002 1.00 0.00 C ATOM 549 CG PRO A 36 22.847 -1.651 8.213 1.00 0.00 C ATOM 550 CD PRO A 36 23.680 -2.836 7.799 1.00 0.00 C ATOM 0 HA PRO A 36 22.449 -2.077 4.952 1.00 0.00 H new ATOM 0 HB2 PRO A 36 21.758 -0.241 7.012 1.00 0.00 H new ATOM 0 HB3 PRO A 36 21.118 -1.871 6.958 1.00 0.00 H new ATOM 0 HG2 PRO A 36 23.476 -0.818 8.527 1.00 0.00 H new ATOM 0 HG3 PRO A 36 22.202 -1.899 9.056 1.00 0.00 H new ATOM 0 HD2 PRO A 36 24.587 -2.920 8.397 1.00 0.00 H new ATOM 0 HD3 PRO A 36 23.134 -3.773 7.914 1.00 0.00 H new ATOM 558 N GLU A 37 24.603 0.235 5.829 1.00 0.00 N ATOM 559 CA GLU A 37 25.279 1.467 5.362 1.00 0.00 C ATOM 560 C GLU A 37 26.051 1.227 4.048 1.00 0.00 C ATOM 561 O GLU A 37 26.219 2.151 3.245 1.00 0.00 O ATOM 562 CB GLU A 37 26.233 2.044 6.449 1.00 0.00 C ATOM 563 CG GLU A 37 27.416 1.124 6.875 1.00 0.00 C ATOM 564 CD GLU A 37 27.129 0.210 8.084 1.00 0.00 C ATOM 565 OE1 GLU A 37 26.502 -0.850 7.913 1.00 0.00 O ATOM 566 OE2 GLU A 37 27.545 0.544 9.215 1.00 0.00 O ATOM 0 H GLU A 37 24.988 -0.142 6.695 1.00 0.00 H new ATOM 0 HA GLU A 37 24.497 2.202 5.169 1.00 0.00 H new ATOM 0 HB2 GLU A 37 26.644 2.985 6.082 1.00 0.00 H new ATOM 0 HB3 GLU A 37 25.643 2.278 7.335 1.00 0.00 H new ATOM 0 HG2 GLU A 37 27.696 0.501 6.026 1.00 0.00 H new ATOM 0 HG3 GLU A 37 28.277 1.750 7.108 1.00 0.00 H new ATOM 573 N ASP A 38 26.501 -0.029 3.840 1.00 0.00 N ATOM 574 CA ASP A 38 27.209 -0.442 2.613 1.00 0.00 C ATOM 575 C ASP A 38 26.245 -0.400 1.412 1.00 0.00 C ATOM 576 O ASP A 38 26.605 0.052 0.315 1.00 0.00 O ATOM 577 CB ASP A 38 27.811 -1.861 2.795 1.00 0.00 C ATOM 578 CG ASP A 38 28.485 -2.433 1.532 1.00 0.00 C ATOM 579 OD1 ASP A 38 29.647 -2.066 1.249 1.00 0.00 O ATOM 580 OD2 ASP A 38 27.857 -3.261 0.825 1.00 0.00 O ATOM 0 H ASP A 38 26.383 -0.782 4.517 1.00 0.00 H new ATOM 0 HA ASP A 38 28.028 0.251 2.420 1.00 0.00 H new ATOM 0 HB2 ASP A 38 28.544 -1.831 3.601 1.00 0.00 H new ATOM 0 HB3 ASP A 38 27.019 -2.541 3.109 1.00 0.00 H new ATOM 585 N GLN A 39 25.005 -0.849 1.669 1.00 0.00 N ATOM 586 CA GLN A 39 23.927 -0.924 0.665 1.00 0.00 C ATOM 587 C GLN A 39 23.304 0.461 0.382 1.00 0.00 C ATOM 588 O GLN A 39 23.522 1.432 1.122 1.00 0.00 O ATOM 589 CB GLN A 39 22.832 -1.945 1.140 1.00 0.00 C ATOM 590 CG GLN A 39 23.024 -3.402 0.636 1.00 0.00 C ATOM 591 CD GLN A 39 24.366 -4.070 0.958 1.00 0.00 C ATOM 592 OE1 GLN A 39 24.858 -4.882 0.180 1.00 0.00 O ATOM 593 NE2 GLN A 39 24.933 -3.800 2.113 1.00 0.00 N ATOM 0 H GLN A 39 24.718 -1.175 2.592 1.00 0.00 H new ATOM 0 HA GLN A 39 24.360 -1.273 -0.273 1.00 0.00 H new ATOM 0 HB2 GLN A 39 22.814 -1.954 2.230 1.00 0.00 H new ATOM 0 HB3 GLN A 39 21.857 -1.588 0.808 1.00 0.00 H new ATOM 0 HG2 GLN A 39 22.228 -4.016 1.058 1.00 0.00 H new ATOM 0 HG3 GLN A 39 22.892 -3.408 -0.446 1.00 0.00 H new ATOM 0 HE21 GLN A 39 24.507 -3.122 2.744 1.00 0.00 H new ATOM 0 HE22 GLN A 39 25.799 -4.269 2.378 1.00 0.00 H new ATOM 602 N VAL A 40 22.538 0.518 -0.722 1.00 0.00 N ATOM 603 CA VAL A 40 21.723 1.673 -1.125 1.00 0.00 C ATOM 604 C VAL A 40 20.686 1.195 -2.172 1.00 0.00 C ATOM 605 O VAL A 40 20.966 0.267 -2.949 1.00 0.00 O ATOM 606 CB VAL A 40 22.597 2.866 -1.693 1.00 0.00 C ATOM 607 CG1 VAL A 40 23.467 2.415 -2.887 1.00 0.00 C ATOM 608 CG2 VAL A 40 21.718 4.096 -2.058 1.00 0.00 C ATOM 0 H VAL A 40 22.468 -0.262 -1.376 1.00 0.00 H new ATOM 0 HA VAL A 40 21.217 2.068 -0.244 1.00 0.00 H new ATOM 0 HB VAL A 40 23.275 3.177 -0.898 1.00 0.00 H new ATOM 0 HG11 VAL A 40 24.053 3.260 -3.250 1.00 0.00 H new ATOM 0 HG12 VAL A 40 24.139 1.618 -2.567 1.00 0.00 H new ATOM 0 HG13 VAL A 40 22.824 2.048 -3.687 1.00 0.00 H new ATOM 0 HG21 VAL A 40 22.352 4.894 -2.444 1.00 0.00 H new ATOM 0 HG22 VAL A 40 20.990 3.811 -2.818 1.00 0.00 H new ATOM 0 HG23 VAL A 40 21.195 4.446 -1.168 1.00 0.00 H new ATOM 618 N VAL A 41 19.479 1.797 -2.162 1.00 0.00 N ATOM 619 CA VAL A 41 18.399 1.460 -3.118 1.00 0.00 C ATOM 620 C VAL A 41 18.497 2.348 -4.382 1.00 0.00 C ATOM 621 O VAL A 41 18.697 3.559 -4.289 1.00 0.00 O ATOM 622 CB VAL A 41 16.977 1.594 -2.458 1.00 0.00 C ATOM 623 CG1 VAL A 41 15.837 1.341 -3.467 1.00 0.00 C ATOM 624 CG2 VAL A 41 16.844 0.648 -1.239 1.00 0.00 C ATOM 0 H VAL A 41 19.224 2.526 -1.496 1.00 0.00 H new ATOM 0 HA VAL A 41 18.530 0.418 -3.410 1.00 0.00 H new ATOM 0 HB VAL A 41 16.882 2.624 -2.115 1.00 0.00 H new ATOM 0 HG11 VAL A 41 14.876 1.445 -2.964 1.00 0.00 H new ATOM 0 HG12 VAL A 41 15.902 2.066 -4.279 1.00 0.00 H new ATOM 0 HG13 VAL A 41 15.927 0.333 -3.873 1.00 0.00 H new ATOM 0 HG21 VAL A 41 15.853 0.758 -0.799 1.00 0.00 H new ATOM 0 HG22 VAL A 41 16.985 -0.383 -1.562 1.00 0.00 H new ATOM 0 HG23 VAL A 41 17.601 0.902 -0.497 1.00 0.00 H new ATOM 634 N LEU A 42 18.365 1.711 -5.565 1.00 0.00 N ATOM 635 CA LEU A 42 18.497 2.352 -6.882 1.00 0.00 C ATOM 636 C LEU A 42 17.196 2.110 -7.682 1.00 0.00 C ATOM 637 O LEU A 42 16.742 0.966 -7.794 1.00 0.00 O ATOM 638 CB LEU A 42 19.722 1.749 -7.658 1.00 0.00 C ATOM 639 CG LEU A 42 21.055 1.557 -6.848 1.00 0.00 C ATOM 640 CD1 LEU A 42 22.180 0.994 -7.744 1.00 0.00 C ATOM 641 CD2 LEU A 42 21.517 2.859 -6.150 1.00 0.00 C ATOM 0 H LEU A 42 18.159 0.714 -5.628 1.00 0.00 H new ATOM 0 HA LEU A 42 18.663 3.422 -6.755 1.00 0.00 H new ATOM 0 HB2 LEU A 42 19.426 0.779 -8.058 1.00 0.00 H new ATOM 0 HB3 LEU A 42 19.934 2.394 -8.511 1.00 0.00 H new ATOM 0 HG LEU A 42 20.838 0.830 -6.065 1.00 0.00 H new ATOM 0 HD11 LEU A 42 23.089 0.873 -7.154 1.00 0.00 H new ATOM 0 HD12 LEU A 42 21.876 0.027 -8.145 1.00 0.00 H new ATOM 0 HD13 LEU A 42 22.370 1.684 -8.566 1.00 0.00 H new ATOM 0 HD21 LEU A 42 22.442 2.671 -5.605 1.00 0.00 H new ATOM 0 HD22 LEU A 42 21.688 3.632 -6.899 1.00 0.00 H new ATOM 0 HD23 LEU A 42 20.747 3.192 -5.454 1.00 0.00 H new ATOM 653 N LEU A 43 16.573 3.175 -8.213 1.00 0.00 N ATOM 654 CA LEU A 43 15.402 3.034 -9.103 1.00 0.00 C ATOM 655 C LEU A 43 15.885 2.983 -10.565 1.00 0.00 C ATOM 656 O LEU A 43 16.192 4.020 -11.154 1.00 0.00 O ATOM 657 CB LEU A 43 14.395 4.195 -8.863 1.00 0.00 C ATOM 658 CG LEU A 43 13.117 4.230 -9.780 1.00 0.00 C ATOM 659 CD1 LEU A 43 12.346 2.885 -9.758 1.00 0.00 C ATOM 660 CD2 LEU A 43 12.190 5.407 -9.378 1.00 0.00 C ATOM 0 H LEU A 43 16.857 4.140 -8.044 1.00 0.00 H new ATOM 0 HA LEU A 43 14.875 2.106 -8.882 1.00 0.00 H new ATOM 0 HB2 LEU A 43 14.066 4.150 -7.825 1.00 0.00 H new ATOM 0 HB3 LEU A 43 14.928 5.138 -8.988 1.00 0.00 H new ATOM 0 HG LEU A 43 13.455 4.387 -10.804 1.00 0.00 H new ATOM 0 HD11 LEU A 43 11.472 2.956 -10.405 1.00 0.00 H new ATOM 0 HD12 LEU A 43 12.997 2.087 -10.114 1.00 0.00 H new ATOM 0 HD13 LEU A 43 12.026 2.665 -8.739 1.00 0.00 H new ATOM 0 HD21 LEU A 43 11.312 5.415 -10.023 1.00 0.00 H new ATOM 0 HD22 LEU A 43 11.877 5.286 -8.341 1.00 0.00 H new ATOM 0 HD23 LEU A 43 12.729 6.348 -9.487 1.00 0.00 H new ATOM 672 N ALA A 44 16.001 1.749 -11.107 1.00 0.00 N ATOM 673 CA ALA A 44 16.462 1.477 -12.494 1.00 0.00 C ATOM 674 C ALA A 44 17.894 2.009 -12.765 1.00 0.00 C ATOM 675 O ALA A 44 18.277 2.223 -13.925 1.00 0.00 O ATOM 676 CB ALA A 44 15.449 2.032 -13.519 1.00 0.00 C ATOM 0 H ALA A 44 15.775 0.900 -10.588 1.00 0.00 H new ATOM 0 HA ALA A 44 16.515 0.394 -12.610 1.00 0.00 H new ATOM 0 HB1 ALA A 44 15.802 1.824 -14.529 1.00 0.00 H new ATOM 0 HB2 ALA A 44 14.480 1.555 -13.368 1.00 0.00 H new ATOM 0 HB3 ALA A 44 15.348 3.109 -13.384 1.00 0.00 H new ATOM 682 N GLY A 45 18.683 2.180 -11.683 1.00 0.00 N ATOM 683 CA GLY A 45 20.056 2.700 -11.763 1.00 0.00 C ATOM 684 C GLY A 45 20.199 4.132 -11.255 1.00 0.00 C ATOM 685 O GLY A 45 21.321 4.639 -11.162 1.00 0.00 O ATOM 0 H GLY A 45 18.383 1.961 -10.733 1.00 0.00 H new ATOM 0 HA2 GLY A 45 20.715 2.051 -11.186 1.00 0.00 H new ATOM 0 HA3 GLY A 45 20.392 2.656 -12.799 1.00 0.00 H new ATOM 689 N ALA A 46 19.068 4.798 -10.950 1.00 0.00 N ATOM 690 CA ALA A 46 19.060 6.141 -10.342 1.00 0.00 C ATOM 691 C ALA A 46 19.238 6.015 -8.817 1.00 0.00 C ATOM 692 O ALA A 46 18.363 5.450 -8.151 1.00 0.00 O ATOM 693 CB ALA A 46 17.748 6.866 -10.676 1.00 0.00 C ATOM 0 H ALA A 46 18.136 4.420 -11.118 1.00 0.00 H new ATOM 0 HA ALA A 46 19.885 6.727 -10.747 1.00 0.00 H new ATOM 0 HB1 ALA A 46 17.754 7.857 -10.222 1.00 0.00 H new ATOM 0 HB2 ALA A 46 17.651 6.963 -11.757 1.00 0.00 H new ATOM 0 HB3 ALA A 46 16.906 6.293 -10.287 1.00 0.00 H new ATOM 699 N PRO A 47 20.373 6.517 -8.235 1.00 0.00 N ATOM 700 CA PRO A 47 20.653 6.360 -6.793 1.00 0.00 C ATOM 701 C PRO A 47 19.676 7.173 -5.915 1.00 0.00 C ATOM 702 O PRO A 47 19.775 8.407 -5.824 1.00 0.00 O ATOM 703 CB PRO A 47 22.127 6.829 -6.651 1.00 0.00 C ATOM 704 CG PRO A 47 22.345 7.767 -7.801 1.00 0.00 C ATOM 705 CD PRO A 47 21.461 7.268 -8.929 1.00 0.00 C ATOM 0 HA PRO A 47 20.514 5.336 -6.446 1.00 0.00 H new ATOM 0 HB2 PRO A 47 22.293 7.329 -5.697 1.00 0.00 H new ATOM 0 HB3 PRO A 47 22.816 5.985 -6.693 1.00 0.00 H new ATOM 0 HG2 PRO A 47 22.084 8.789 -7.525 1.00 0.00 H new ATOM 0 HG3 PRO A 47 23.392 7.776 -8.102 1.00 0.00 H new ATOM 0 HD2 PRO A 47 21.062 8.094 -9.518 1.00 0.00 H new ATOM 0 HD3 PRO A 47 22.014 6.626 -9.614 1.00 0.00 H new ATOM 713 N LEU A 48 18.694 6.464 -5.324 1.00 0.00 N ATOM 714 CA LEU A 48 17.720 7.061 -4.405 1.00 0.00 C ATOM 715 C LEU A 48 18.404 7.367 -3.070 1.00 0.00 C ATOM 716 O LEU A 48 19.087 6.496 -2.505 1.00 0.00 O ATOM 717 CB LEU A 48 16.506 6.118 -4.187 1.00 0.00 C ATOM 718 CG LEU A 48 15.678 5.745 -5.461 1.00 0.00 C ATOM 719 CD1 LEU A 48 14.466 4.854 -5.095 1.00 0.00 C ATOM 720 CD2 LEU A 48 15.220 7.014 -6.227 1.00 0.00 C ATOM 0 H LEU A 48 18.559 5.464 -5.473 1.00 0.00 H new ATOM 0 HA LEU A 48 17.346 7.986 -4.843 1.00 0.00 H new ATOM 0 HB2 LEU A 48 16.867 5.196 -3.732 1.00 0.00 H new ATOM 0 HB3 LEU A 48 15.834 6.586 -3.468 1.00 0.00 H new ATOM 0 HG LEU A 48 16.330 5.174 -6.122 1.00 0.00 H new ATOM 0 HD11 LEU A 48 13.908 4.610 -5.999 1.00 0.00 H new ATOM 0 HD12 LEU A 48 14.818 3.935 -4.626 1.00 0.00 H new ATOM 0 HD13 LEU A 48 13.817 5.389 -4.402 1.00 0.00 H new ATOM 0 HD21 LEU A 48 14.647 6.721 -7.107 1.00 0.00 H new ATOM 0 HD22 LEU A 48 14.597 7.627 -5.576 1.00 0.00 H new ATOM 0 HD23 LEU A 48 16.094 7.587 -6.537 1.00 0.00 H new ATOM 732 N GLU A 49 18.226 8.612 -2.595 1.00 0.00 N ATOM 733 CA GLU A 49 18.819 9.093 -1.334 1.00 0.00 C ATOM 734 C GLU A 49 18.249 8.285 -0.163 1.00 0.00 C ATOM 735 O GLU A 49 17.030 8.116 -0.075 1.00 0.00 O ATOM 736 CB GLU A 49 18.509 10.602 -1.142 1.00 0.00 C ATOM 737 CG GLU A 49 18.957 11.494 -2.316 1.00 0.00 C ATOM 738 CD GLU A 49 18.472 12.948 -2.197 1.00 0.00 C ATOM 739 OE1 GLU A 49 17.244 13.174 -2.258 1.00 0.00 O ATOM 740 OE2 GLU A 49 19.306 13.874 -2.068 1.00 0.00 O ATOM 0 H GLU A 49 17.665 9.315 -3.076 1.00 0.00 H new ATOM 0 HA GLU A 49 19.900 8.961 -1.370 1.00 0.00 H new ATOM 0 HB2 GLU A 49 17.436 10.725 -0.996 1.00 0.00 H new ATOM 0 HB3 GLU A 49 18.997 10.948 -0.231 1.00 0.00 H new ATOM 0 HG2 GLU A 49 20.045 11.485 -2.375 1.00 0.00 H new ATOM 0 HG3 GLU A 49 18.584 11.069 -3.248 1.00 0.00 H new ATOM 747 N ASP A 50 19.126 7.776 0.715 1.00 0.00 N ATOM 748 CA ASP A 50 18.701 6.970 1.877 1.00 0.00 C ATOM 749 C ASP A 50 17.803 7.787 2.835 1.00 0.00 C ATOM 750 O ASP A 50 16.829 7.262 3.377 1.00 0.00 O ATOM 751 CB ASP A 50 19.916 6.329 2.615 1.00 0.00 C ATOM 752 CG ASP A 50 21.073 7.300 2.912 1.00 0.00 C ATOM 753 OD1 ASP A 50 20.915 8.205 3.760 1.00 0.00 O ATOM 754 OD2 ASP A 50 22.152 7.163 2.291 1.00 0.00 O ATOM 0 H ASP A 50 20.135 7.906 0.645 1.00 0.00 H new ATOM 0 HA ASP A 50 18.097 6.146 1.497 1.00 0.00 H new ATOM 0 HB2 ASP A 50 19.568 5.901 3.555 1.00 0.00 H new ATOM 0 HB3 ASP A 50 20.297 5.505 2.012 1.00 0.00 H new ATOM 759 N GLU A 51 18.090 9.092 2.974 1.00 0.00 N ATOM 760 CA GLU A 51 17.306 9.985 3.848 1.00 0.00 C ATOM 761 C GLU A 51 15.934 10.322 3.220 1.00 0.00 C ATOM 762 O GLU A 51 15.007 10.732 3.926 1.00 0.00 O ATOM 763 CB GLU A 51 18.108 11.272 4.153 1.00 0.00 C ATOM 764 CG GLU A 51 18.459 12.130 2.917 1.00 0.00 C ATOM 765 CD GLU A 51 19.363 13.321 3.261 1.00 0.00 C ATOM 766 OE1 GLU A 51 18.840 14.387 3.656 1.00 0.00 O ATOM 767 OE2 GLU A 51 20.606 13.188 3.161 1.00 0.00 O ATOM 0 H GLU A 51 18.861 9.554 2.492 1.00 0.00 H new ATOM 0 HA GLU A 51 17.116 9.464 4.787 1.00 0.00 H new ATOM 0 HB2 GLU A 51 17.534 11.883 4.850 1.00 0.00 H new ATOM 0 HB3 GLU A 51 19.033 10.995 4.659 1.00 0.00 H new ATOM 0 HG2 GLU A 51 18.955 11.505 2.175 1.00 0.00 H new ATOM 0 HG3 GLU A 51 17.539 12.497 2.461 1.00 0.00 H new ATOM 774 N ALA A 52 15.820 10.135 1.892 1.00 0.00 N ATOM 775 CA ALA A 52 14.563 10.345 1.161 1.00 0.00 C ATOM 776 C ALA A 52 13.596 9.186 1.443 1.00 0.00 C ATOM 777 O ALA A 52 14.009 8.026 1.450 1.00 0.00 O ATOM 778 CB ALA A 52 14.820 10.475 -0.354 1.00 0.00 C ATOM 0 H ALA A 52 16.595 9.835 1.300 1.00 0.00 H new ATOM 0 HA ALA A 52 14.114 11.276 1.506 1.00 0.00 H new ATOM 0 HB1 ALA A 52 13.873 10.630 -0.872 1.00 0.00 H new ATOM 0 HB2 ALA A 52 15.478 11.324 -0.540 1.00 0.00 H new ATOM 0 HB3 ALA A 52 15.290 9.564 -0.723 1.00 0.00 H new ATOM 784 N THR A 53 12.325 9.515 1.706 1.00 0.00 N ATOM 785 CA THR A 53 11.257 8.520 1.845 1.00 0.00 C ATOM 786 C THR A 53 10.828 8.010 0.454 1.00 0.00 C ATOM 787 O THR A 53 11.260 8.563 -0.567 1.00 0.00 O ATOM 788 CB THR A 53 10.029 9.131 2.601 1.00 0.00 C ATOM 789 OG1 THR A 53 9.454 10.196 1.841 1.00 0.00 O ATOM 790 CG2 THR A 53 10.408 9.661 3.995 1.00 0.00 C ATOM 0 H THR A 53 12.010 10.477 1.828 1.00 0.00 H new ATOM 0 HA THR A 53 11.636 7.681 2.429 1.00 0.00 H new ATOM 0 HB THR A 53 9.306 8.325 2.726 1.00 0.00 H new ATOM 0 HG1 THR A 53 8.687 10.566 2.325 1.00 0.00 H new ATOM 0 HG21 THR A 53 9.524 10.075 4.480 1.00 0.00 H new ATOM 0 HG22 THR A 53 10.805 8.845 4.599 1.00 0.00 H new ATOM 0 HG23 THR A 53 11.164 10.439 3.895 1.00 0.00 H new ATOM 798 N LEU A 54 9.971 6.969 0.409 1.00 0.00 N ATOM 799 CA LEU A 54 9.397 6.474 -0.862 1.00 0.00 C ATOM 800 C LEU A 54 8.465 7.554 -1.466 1.00 0.00 C ATOM 801 O LEU A 54 8.318 7.641 -2.689 1.00 0.00 O ATOM 802 CB LEU A 54 8.636 5.119 -0.681 1.00 0.00 C ATOM 803 CG LEU A 54 9.494 3.837 -0.349 1.00 0.00 C ATOM 804 CD1 LEU A 54 10.700 3.670 -1.303 1.00 0.00 C ATOM 805 CD2 LEU A 54 9.938 3.793 1.125 1.00 0.00 C ATOM 0 H LEU A 54 9.661 6.456 1.234 1.00 0.00 H new ATOM 0 HA LEU A 54 10.220 6.279 -1.549 1.00 0.00 H new ATOM 0 HB2 LEU A 54 7.904 5.249 0.116 1.00 0.00 H new ATOM 0 HB3 LEU A 54 8.078 4.922 -1.597 1.00 0.00 H new ATOM 0 HG LEU A 54 8.834 2.985 -0.513 1.00 0.00 H new ATOM 0 HD11 LEU A 54 11.257 2.773 -1.032 1.00 0.00 H new ATOM 0 HD12 LEU A 54 10.343 3.579 -2.329 1.00 0.00 H new ATOM 0 HD13 LEU A 54 11.351 4.540 -1.222 1.00 0.00 H new ATOM 0 HD21 LEU A 54 10.525 2.892 1.301 1.00 0.00 H new ATOM 0 HD22 LEU A 54 10.544 4.671 1.349 1.00 0.00 H new ATOM 0 HD23 LEU A 54 9.059 3.785 1.770 1.00 0.00 H new ATOM 817 N GLY A 55 7.864 8.386 -0.578 1.00 0.00 N ATOM 818 CA GLY A 55 7.022 9.517 -0.987 1.00 0.00 C ATOM 819 C GLY A 55 7.839 10.723 -1.462 1.00 0.00 C ATOM 820 O GLY A 55 7.382 11.487 -2.321 1.00 0.00 O ATOM 0 H GLY A 55 7.954 8.285 0.433 1.00 0.00 H new ATOM 0 HA2 GLY A 55 6.355 9.197 -1.788 1.00 0.00 H new ATOM 0 HA3 GLY A 55 6.393 9.817 -0.149 1.00 0.00 H new ATOM 824 N GLN A 56 9.063 10.875 -0.909 1.00 0.00 N ATOM 825 CA GLN A 56 10.017 11.939 -1.305 1.00 0.00 C ATOM 826 C GLN A 56 10.632 11.606 -2.679 1.00 0.00 C ATOM 827 O GLN A 56 10.882 12.498 -3.496 1.00 0.00 O ATOM 828 CB GLN A 56 11.114 12.104 -0.213 1.00 0.00 C ATOM 829 CG GLN A 56 12.141 13.237 -0.460 1.00 0.00 C ATOM 830 CD GLN A 56 11.537 14.648 -0.527 1.00 0.00 C ATOM 831 OE1 GLN A 56 12.036 15.510 -1.253 1.00 0.00 O ATOM 832 NE2 GLN A 56 10.492 14.914 0.256 1.00 0.00 N ATOM 0 H GLN A 56 9.419 10.263 -0.174 1.00 0.00 H new ATOM 0 HA GLN A 56 9.489 12.888 -1.394 1.00 0.00 H new ATOM 0 HB2 GLN A 56 10.624 12.285 0.744 1.00 0.00 H new ATOM 0 HB3 GLN A 56 11.655 11.162 -0.122 1.00 0.00 H new ATOM 0 HG2 GLN A 56 12.886 13.213 0.335 1.00 0.00 H new ATOM 0 HG3 GLN A 56 12.665 13.036 -1.394 1.00 0.00 H new ATOM 0 HE21 GLN A 56 10.098 14.182 0.847 1.00 0.00 H new ATOM 0 HE22 GLN A 56 10.086 15.850 0.264 1.00 0.00 H new ATOM 841 N CYS A 57 10.861 10.302 -2.910 1.00 0.00 N ATOM 842 CA CYS A 57 11.262 9.771 -4.220 1.00 0.00 C ATOM 843 C CYS A 57 10.054 9.749 -5.188 1.00 0.00 C ATOM 844 O CYS A 57 10.228 9.759 -6.407 1.00 0.00 O ATOM 845 CB CYS A 57 11.857 8.356 -4.051 1.00 0.00 C ATOM 846 SG CYS A 57 13.329 8.302 -2.994 1.00 0.00 S ATOM 0 H CYS A 57 10.772 9.586 -2.189 1.00 0.00 H new ATOM 0 HA CYS A 57 12.025 10.421 -4.649 1.00 0.00 H new ATOM 0 HB2 CYS A 57 11.095 7.700 -3.631 1.00 0.00 H new ATOM 0 HB3 CYS A 57 12.112 7.960 -5.034 1.00 0.00 H new ATOM 0 HG CYS A 57 12.971 8.389 -1.747 1.00 0.00 H new ATOM 852 N GLY A 58 8.831 9.716 -4.610 1.00 0.00 N ATOM 853 CA GLY A 58 7.575 9.744 -5.373 1.00 0.00 C ATOM 854 C GLY A 58 7.296 8.455 -6.133 1.00 0.00 C ATOM 855 O GLY A 58 6.538 8.461 -7.107 1.00 0.00 O ATOM 0 H GLY A 58 8.694 9.669 -3.600 1.00 0.00 H new ATOM 0 HA2 GLY A 58 6.749 9.939 -4.690 1.00 0.00 H new ATOM 0 HA3 GLY A 58 7.607 10.573 -6.080 1.00 0.00 H new ATOM 859 N VAL A 59 7.900 7.353 -5.669 1.00 0.00 N ATOM 860 CA VAL A 59 7.822 6.042 -6.334 1.00 0.00 C ATOM 861 C VAL A 59 6.488 5.339 -5.983 1.00 0.00 C ATOM 862 O VAL A 59 5.948 5.538 -4.893 1.00 0.00 O ATOM 863 CB VAL A 59 9.075 5.158 -5.956 1.00 0.00 C ATOM 864 CG1 VAL A 59 9.154 4.880 -4.443 1.00 0.00 C ATOM 865 CG2 VAL A 59 9.127 3.838 -6.758 1.00 0.00 C ATOM 0 H VAL A 59 8.460 7.344 -4.817 1.00 0.00 H new ATOM 0 HA VAL A 59 7.840 6.187 -7.414 1.00 0.00 H new ATOM 0 HB VAL A 59 9.951 5.745 -6.233 1.00 0.00 H new ATOM 0 HG11 VAL A 59 10.031 4.269 -4.231 1.00 0.00 H new ATOM 0 HG12 VAL A 59 9.230 5.824 -3.903 1.00 0.00 H new ATOM 0 HG13 VAL A 59 8.257 4.350 -4.123 1.00 0.00 H new ATOM 0 HG21 VAL A 59 10.007 3.267 -6.461 1.00 0.00 H new ATOM 0 HG22 VAL A 59 8.229 3.254 -6.556 1.00 0.00 H new ATOM 0 HG23 VAL A 59 9.182 4.062 -7.823 1.00 0.00 H new ATOM 875 N GLU A 60 5.958 4.538 -6.927 1.00 0.00 N ATOM 876 CA GLU A 60 4.621 3.901 -6.803 1.00 0.00 C ATOM 877 C GLU A 60 4.717 2.425 -6.348 1.00 0.00 C ATOM 878 O GLU A 60 5.814 1.911 -6.078 1.00 0.00 O ATOM 879 CB GLU A 60 3.875 3.996 -8.166 1.00 0.00 C ATOM 880 CG GLU A 60 4.585 3.293 -9.347 1.00 0.00 C ATOM 881 CD GLU A 60 3.771 3.326 -10.649 1.00 0.00 C ATOM 882 OE1 GLU A 60 3.719 4.389 -11.301 1.00 0.00 O ATOM 883 OE2 GLU A 60 3.177 2.296 -11.028 1.00 0.00 O ATOM 0 H GLU A 60 6.439 4.311 -7.797 1.00 0.00 H new ATOM 0 HA GLU A 60 4.064 4.437 -6.035 1.00 0.00 H new ATOM 0 HB2 GLU A 60 2.881 3.565 -8.050 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.739 5.048 -8.417 1.00 0.00 H new ATOM 0 HG2 GLU A 60 5.550 3.769 -9.518 1.00 0.00 H new ATOM 0 HG3 GLU A 60 4.785 2.256 -9.077 1.00 0.00 H new ATOM 890 N ALA A 61 3.547 1.757 -6.264 1.00 0.00 N ATOM 891 CA ALA A 61 3.445 0.320 -5.947 1.00 0.00 C ATOM 892 C ALA A 61 3.723 -0.542 -7.193 1.00 0.00 C ATOM 893 O ALA A 61 3.695 -0.045 -8.323 1.00 0.00 O ATOM 894 CB ALA A 61 2.056 0.012 -5.367 1.00 0.00 C ATOM 0 H ALA A 61 2.643 2.204 -6.415 1.00 0.00 H new ATOM 0 HA ALA A 61 4.200 0.073 -5.201 1.00 0.00 H new ATOM 0 HB1 ALA A 61 1.986 -1.051 -5.135 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.905 0.593 -4.457 1.00 0.00 H new ATOM 0 HB3 ALA A 61 1.290 0.275 -6.097 1.00 0.00 H new ATOM 900 N LEU A 62 4.024 -1.839 -6.943 1.00 0.00 N ATOM 901 CA LEU A 62 4.352 -2.869 -7.978 1.00 0.00 C ATOM 902 C LEU A 62 5.661 -2.549 -8.737 1.00 0.00 C ATOM 903 O LEU A 62 5.989 -3.211 -9.731 1.00 0.00 O ATOM 904 CB LEU A 62 3.166 -3.116 -8.979 1.00 0.00 C ATOM 905 CG LEU A 62 1.945 -3.955 -8.459 1.00 0.00 C ATOM 906 CD1 LEU A 62 2.387 -5.363 -7.990 1.00 0.00 C ATOM 907 CD2 LEU A 62 1.162 -3.214 -7.352 1.00 0.00 C ATOM 0 H LEU A 62 4.048 -2.215 -5.995 1.00 0.00 H new ATOM 0 HA LEU A 62 4.512 -3.797 -7.429 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.793 -2.145 -9.306 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.568 -3.616 -9.860 1.00 0.00 H new ATOM 0 HG LEU A 62 1.264 -4.083 -9.301 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.518 -5.918 -7.636 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.844 -5.897 -8.823 1.00 0.00 H new ATOM 0 HD13 LEU A 62 3.110 -5.266 -7.180 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.326 -3.831 -7.022 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.823 -3.017 -6.508 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.783 -2.270 -7.744 1.00 0.00 H new ATOM 919 N THR A 63 6.401 -1.540 -8.250 1.00 0.00 N ATOM 920 CA THR A 63 7.714 -1.157 -8.776 1.00 0.00 C ATOM 921 C THR A 63 8.784 -2.134 -8.261 1.00 0.00 C ATOM 922 O THR A 63 8.616 -2.736 -7.210 1.00 0.00 O ATOM 923 CB THR A 63 8.058 0.304 -8.331 1.00 0.00 C ATOM 924 OG1 THR A 63 7.009 1.185 -8.748 1.00 0.00 O ATOM 925 CG2 THR A 63 9.395 0.817 -8.902 1.00 0.00 C ATOM 0 H THR A 63 6.096 -0.961 -7.468 1.00 0.00 H new ATOM 0 HA THR A 63 7.692 -1.198 -9.865 1.00 0.00 H new ATOM 0 HB THR A 63 8.156 0.287 -7.246 1.00 0.00 H new ATOM 0 HG1 THR A 63 6.540 1.532 -7.960 1.00 0.00 H new ATOM 0 HG21 THR A 63 9.572 1.835 -8.555 1.00 0.00 H new ATOM 0 HG22 THR A 63 10.206 0.172 -8.564 1.00 0.00 H new ATOM 0 HG23 THR A 63 9.353 0.807 -9.991 1.00 0.00 H new ATOM 933 N THR A 64 9.856 -2.312 -9.030 1.00 0.00 N ATOM 934 CA THR A 64 11.023 -3.094 -8.620 1.00 0.00 C ATOM 935 C THR A 64 12.168 -2.125 -8.316 1.00 0.00 C ATOM 936 O THR A 64 12.685 -1.460 -9.218 1.00 0.00 O ATOM 937 CB THR A 64 11.440 -4.115 -9.719 1.00 0.00 C ATOM 938 OG1 THR A 64 10.315 -4.946 -10.016 1.00 0.00 O ATOM 939 CG2 THR A 64 12.629 -4.995 -9.275 1.00 0.00 C ATOM 0 H THR A 64 9.941 -1.914 -9.965 1.00 0.00 H new ATOM 0 HA THR A 64 10.776 -3.673 -7.730 1.00 0.00 H new ATOM 0 HB THR A 64 11.760 -3.559 -10.601 1.00 0.00 H new ATOM 0 HG1 THR A 64 10.561 -5.594 -10.709 1.00 0.00 H new ATOM 0 HG21 THR A 64 12.884 -5.692 -10.074 1.00 0.00 H new ATOM 0 HG22 THR A 64 13.489 -4.362 -9.057 1.00 0.00 H new ATOM 0 HG23 THR A 64 12.354 -5.554 -8.380 1.00 0.00 H new ATOM 947 N LEU A 65 12.483 -1.988 -7.025 1.00 0.00 N ATOM 948 CA LEU A 65 13.625 -1.207 -6.533 1.00 0.00 C ATOM 949 C LEU A 65 14.832 -2.141 -6.394 1.00 0.00 C ATOM 950 O LEU A 65 14.682 -3.240 -5.886 1.00 0.00 O ATOM 951 CB LEU A 65 13.288 -0.547 -5.159 1.00 0.00 C ATOM 952 CG LEU A 65 12.276 0.656 -5.174 1.00 0.00 C ATOM 953 CD1 LEU A 65 12.738 1.766 -6.141 1.00 0.00 C ATOM 954 CD2 LEU A 65 10.834 0.201 -5.491 1.00 0.00 C ATOM 0 H LEU A 65 11.943 -2.424 -6.278 1.00 0.00 H new ATOM 0 HA LEU A 65 13.854 -0.409 -7.239 1.00 0.00 H new ATOM 0 HB2 LEU A 65 12.887 -1.319 -4.502 1.00 0.00 H new ATOM 0 HB3 LEU A 65 14.220 -0.200 -4.712 1.00 0.00 H new ATOM 0 HG LEU A 65 12.264 1.073 -4.167 1.00 0.00 H new ATOM 0 HD11 LEU A 65 12.017 2.583 -6.128 1.00 0.00 H new ATOM 0 HD12 LEU A 65 13.714 2.138 -5.828 1.00 0.00 H new ATOM 0 HD13 LEU A 65 12.810 1.362 -7.151 1.00 0.00 H new ATOM 0 HD21 LEU A 65 10.171 1.066 -5.490 1.00 0.00 H new ATOM 0 HD22 LEU A 65 10.810 -0.274 -6.472 1.00 0.00 H new ATOM 0 HD23 LEU A 65 10.503 -0.511 -4.735 1.00 0.00 H new ATOM 966 N GLU A 66 16.012 -1.703 -6.846 1.00 0.00 N ATOM 967 CA GLU A 66 17.245 -2.501 -6.780 1.00 0.00 C ATOM 968 C GLU A 66 18.015 -2.147 -5.502 1.00 0.00 C ATOM 969 O GLU A 66 17.898 -1.043 -4.992 1.00 0.00 O ATOM 970 CB GLU A 66 18.108 -2.229 -8.039 1.00 0.00 C ATOM 971 CG GLU A 66 19.410 -3.052 -8.123 1.00 0.00 C ATOM 972 CD GLU A 66 20.200 -2.791 -9.405 1.00 0.00 C ATOM 973 OE1 GLU A 66 19.953 -3.479 -10.418 1.00 0.00 O ATOM 974 OE2 GLU A 66 21.065 -1.888 -9.415 1.00 0.00 O ATOM 0 H GLU A 66 16.141 -0.784 -7.269 1.00 0.00 H new ATOM 0 HA GLU A 66 16.999 -3.563 -6.754 1.00 0.00 H new ATOM 0 HB2 GLU A 66 17.507 -2.435 -8.925 1.00 0.00 H new ATOM 0 HB3 GLU A 66 18.363 -1.169 -8.065 1.00 0.00 H new ATOM 0 HG2 GLU A 66 20.037 -2.818 -7.263 1.00 0.00 H new ATOM 0 HG3 GLU A 66 19.167 -4.113 -8.062 1.00 0.00 H new ATOM 981 N VAL A 67 18.762 -3.111 -4.973 1.00 0.00 N ATOM 982 CA VAL A 67 19.655 -2.922 -3.827 1.00 0.00 C ATOM 983 C VAL A 67 21.082 -3.249 -4.279 1.00 0.00 C ATOM 984 O VAL A 67 21.311 -4.289 -4.913 1.00 0.00 O ATOM 985 CB VAL A 67 19.212 -3.825 -2.618 1.00 0.00 C ATOM 986 CG1 VAL A 67 20.240 -3.812 -1.474 1.00 0.00 C ATOM 987 CG2 VAL A 67 17.824 -3.392 -2.096 1.00 0.00 C ATOM 0 H VAL A 67 18.766 -4.065 -5.333 1.00 0.00 H new ATOM 0 HA VAL A 67 19.610 -1.890 -3.480 1.00 0.00 H new ATOM 0 HB VAL A 67 19.151 -4.848 -2.989 1.00 0.00 H new ATOM 0 HG11 VAL A 67 19.889 -4.450 -0.663 1.00 0.00 H new ATOM 0 HG12 VAL A 67 21.197 -4.184 -1.840 1.00 0.00 H new ATOM 0 HG13 VAL A 67 20.363 -2.793 -1.107 1.00 0.00 H new ATOM 0 HG21 VAL A 67 17.535 -4.029 -1.260 1.00 0.00 H new ATOM 0 HG22 VAL A 67 17.867 -2.355 -1.764 1.00 0.00 H new ATOM 0 HG23 VAL A 67 17.089 -3.487 -2.895 1.00 0.00 H new ATOM 997 N ALA A 68 22.026 -2.353 -3.961 1.00 0.00 N ATOM 998 CA ALA A 68 23.428 -2.476 -4.374 1.00 0.00 C ATOM 999 C ALA A 68 24.348 -1.850 -3.324 1.00 0.00 C ATOM 1000 O ALA A 68 23.955 -0.910 -2.638 1.00 0.00 O ATOM 1001 CB ALA A 68 23.629 -1.809 -5.742 1.00 0.00 C ATOM 0 H ALA A 68 21.836 -1.518 -3.407 1.00 0.00 H new ATOM 0 HA ALA A 68 23.683 -3.532 -4.461 1.00 0.00 H new ATOM 0 HB1 ALA A 68 24.672 -1.904 -6.043 1.00 0.00 H new ATOM 0 HB2 ALA A 68 22.992 -2.295 -6.481 1.00 0.00 H new ATOM 0 HB3 ALA A 68 23.365 -0.754 -5.674 1.00 0.00 H new ATOM 1007 N GLY A 69 25.561 -2.398 -3.182 1.00 0.00 N ATOM 1008 CA GLY A 69 26.578 -1.831 -2.299 1.00 0.00 C ATOM 1009 C GLY A 69 27.533 -0.937 -3.069 1.00 0.00 C ATOM 1010 O GLY A 69 28.437 -1.434 -3.747 1.00 0.00 O ATOM 0 H GLY A 69 25.860 -3.240 -3.673 1.00 0.00 H new ATOM 0 HA2 GLY A 69 26.097 -1.258 -1.506 1.00 0.00 H new ATOM 0 HA3 GLY A 69 27.135 -2.635 -1.818 1.00 0.00 H new ATOM 1014 N ARG A 70 27.296 0.382 -3.004 1.00 0.00 N ATOM 1015 CA ARG A 70 28.092 1.393 -3.732 1.00 0.00 C ATOM 1016 C ARG A 70 29.069 2.118 -2.787 1.00 0.00 C ATOM 1017 O ARG A 70 30.120 2.604 -3.221 1.00 0.00 O ATOM 1018 CB ARG A 70 27.144 2.423 -4.405 1.00 0.00 C ATOM 1019 CG ARG A 70 26.213 1.829 -5.489 1.00 0.00 C ATOM 1020 CD ARG A 70 25.251 2.875 -6.081 1.00 0.00 C ATOM 1021 NE ARG A 70 25.958 4.004 -6.718 1.00 0.00 N ATOM 1022 CZ ARG A 70 25.869 5.296 -6.349 1.00 0.00 C ATOM 1023 NH1 ARG A 70 25.143 5.664 -5.300 1.00 0.00 N ATOM 1024 NH2 ARG A 70 26.529 6.213 -7.043 1.00 0.00 N ATOM 0 H ARG A 70 26.544 0.783 -2.444 1.00 0.00 H new ATOM 0 HA ARG A 70 28.677 0.882 -4.496 1.00 0.00 H new ATOM 0 HB2 ARG A 70 26.531 2.890 -3.634 1.00 0.00 H new ATOM 0 HB3 ARG A 70 27.747 3.212 -4.855 1.00 0.00 H new ATOM 0 HG2 ARG A 70 26.818 1.404 -6.289 1.00 0.00 H new ATOM 0 HG3 ARG A 70 25.635 1.012 -5.058 1.00 0.00 H new ATOM 0 HD2 ARG A 70 24.606 2.394 -6.817 1.00 0.00 H new ATOM 0 HD3 ARG A 70 24.604 3.256 -5.291 1.00 0.00 H new ATOM 0 HE ARG A 70 26.567 3.786 -7.507 1.00 0.00 H new ATOM 0 HH11 ARG A 70 24.640 4.963 -4.757 1.00 0.00 H new ATOM 0 HH12 ARG A 70 25.089 6.648 -5.037 1.00 0.00 H new ATOM 0 HH21 ARG A 70 27.095 5.936 -7.845 1.00 0.00 H new ATOM 0 HH22 ARG A 70 26.471 7.195 -6.775 1.00 0.00 H new ATOM 1038 N MET A 71 28.721 2.170 -1.490 1.00 0.00 N ATOM 1039 CA MET A 71 29.425 2.997 -0.495 1.00 0.00 C ATOM 1040 C MET A 71 29.960 2.110 0.641 1.00 0.00 C ATOM 1041 O MET A 71 29.182 1.645 1.467 1.00 0.00 O ATOM 1042 CB MET A 71 28.445 4.076 0.059 1.00 0.00 C ATOM 1043 CG MET A 71 29.079 5.077 1.043 1.00 0.00 C ATOM 1044 SD MET A 71 27.926 6.353 1.609 1.00 0.00 S ATOM 1045 CE MET A 71 26.743 5.393 2.559 1.00 0.00 C ATOM 0 H MET A 71 27.942 1.639 -1.101 1.00 0.00 H new ATOM 0 HA MET A 71 30.273 3.496 -0.963 1.00 0.00 H new ATOM 0 HB2 MET A 71 28.024 4.630 -0.780 1.00 0.00 H new ATOM 0 HB3 MET A 71 27.616 3.573 0.557 1.00 0.00 H new ATOM 0 HG2 MET A 71 29.462 4.534 1.907 1.00 0.00 H new ATOM 0 HG3 MET A 71 29.933 5.556 0.564 1.00 0.00 H new ATOM 0 HE1 MET A 71 26.096 6.066 3.122 1.00 0.00 H new ATOM 0 HE2 MET A 71 26.138 4.789 1.883 1.00 0.00 H new ATOM 0 HE3 MET A 71 27.276 4.740 3.250 1.00 0.00 H new