USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=13 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 141:sc= -0.264 (180deg=-0.605) USER MOD Single : A 1 MET N :NH3+ -118:sc= 0.404 (180deg=-0.0102) USER MOD Single : A 2 GLN : amide:sc= -0.594 X(o=-0.59,f=-0.29) USER MOD Single : A 8 GLN : amide:sc= -0.513 X(o=-0.51,f=-0.22) USER MOD Single : A 11 HIS : no HD1:sc= 0.376 K(o=0.38,f=-2!) 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=-0.24) USER MOD Single : A 20 THR OG1 : rot -170:sc= -1.41! USER MOD Single : A 23 GLN : amide:sc= -0.136 K(o=-0.14,f=-3.2!) USER MOD Single : A 25 LYS NZ :NH3+ 167:sc= 1 (180deg=0.869) USER MOD Single : A 27 HIS : no HD1:sc= -0.783 X(o=-0.78,f=-0.46) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN :FLIP amide:sc= -0.621 F(o=-2.6,f=-0.62) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.334 USER MOD Single : A 56 GLN : amide:sc= -0.0056 X(o=-0.0056,f=-0.22) USER MOD Single : A 57 CYS SG : rot -24:sc= -1.1 USER MOD Single : A 63 THR OG1 : rot 105:sc= 0.175 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl -162:sc= -0.0922 (180deg=-0.459) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.761 -1.135 -0.695 1.00 0.00 N ATOM 2 CA MET A 1 1.805 -0.512 -1.542 1.00 0.00 C ATOM 3 C MET A 1 2.968 -1.511 -1.721 1.00 0.00 C ATOM 4 O MET A 1 4.043 -1.372 -1.127 1.00 0.00 O ATOM 5 CB MET A 1 2.263 0.831 -0.908 1.00 0.00 C ATOM 6 CG MET A 1 3.244 1.643 -1.752 1.00 0.00 C ATOM 7 SD MET A 1 3.777 3.144 -0.904 1.00 0.00 S ATOM 8 CE MET A 1 4.980 3.765 -2.067 1.00 0.00 C ATOM 0 H1 MET A 1 -0.122 -1.219 -1.238 1.00 0.00 H new ATOM 0 H2 MET A 1 1.075 -2.080 -0.396 1.00 0.00 H new ATOM 0 H3 MET A 1 0.596 -0.543 0.144 1.00 0.00 H new ATOM 0 HA MET A 1 1.411 -0.279 -2.531 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.382 1.443 -0.713 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.725 0.621 0.057 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.114 1.030 -1.987 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.775 1.908 -2.700 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.901 4.850 -2.127 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.982 3.492 -1.735 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.793 3.333 -3.050 1.00 0.00 H new ATOM 18 N GLN A 2 2.699 -2.551 -2.522 1.00 0.00 N ATOM 19 CA GLN A 2 3.590 -3.709 -2.699 1.00 0.00 C ATOM 20 C GLN A 2 4.519 -3.498 -3.896 1.00 0.00 C ATOM 21 O GLN A 2 4.064 -3.500 -5.039 1.00 0.00 O ATOM 22 CB GLN A 2 2.725 -4.985 -2.903 1.00 0.00 C ATOM 23 CG GLN A 2 3.522 -6.297 -3.072 1.00 0.00 C ATOM 24 CD GLN A 2 2.641 -7.525 -3.325 1.00 0.00 C ATOM 25 OE1 GLN A 2 1.506 -7.605 -2.856 1.00 0.00 O ATOM 26 NE2 GLN A 2 3.159 -8.494 -4.070 1.00 0.00 N ATOM 0 H GLN A 2 1.844 -2.614 -3.074 1.00 0.00 H new ATOM 0 HA GLN A 2 4.211 -3.826 -1.811 1.00 0.00 H new ATOM 0 HB2 GLN A 2 2.056 -5.092 -2.049 1.00 0.00 H new ATOM 0 HB3 GLN A 2 2.098 -4.843 -3.783 1.00 0.00 H new ATOM 0 HG2 GLN A 2 4.219 -6.184 -3.902 1.00 0.00 H new ATOM 0 HG3 GLN A 2 4.119 -6.467 -2.176 1.00 0.00 H new ATOM 0 HE21 GLN A 2 4.103 -8.400 -4.445 1.00 0.00 H new ATOM 0 HE22 GLN A 2 2.613 -9.333 -4.267 1.00 0.00 H new ATOM 35 N LEU A 3 5.826 -3.326 -3.632 1.00 0.00 N ATOM 36 CA LEU A 3 6.848 -3.157 -4.674 1.00 0.00 C ATOM 37 C LEU A 3 7.969 -4.198 -4.489 1.00 0.00 C ATOM 38 O LEU A 3 8.167 -4.735 -3.391 1.00 0.00 O ATOM 39 CB LEU A 3 7.376 -1.678 -4.715 1.00 0.00 C ATOM 40 CG LEU A 3 7.852 -1.000 -3.368 1.00 0.00 C ATOM 41 CD1 LEU A 3 9.188 -1.575 -2.828 1.00 0.00 C ATOM 42 CD2 LEU A 3 7.948 0.541 -3.538 1.00 0.00 C ATOM 0 H LEU A 3 6.203 -3.301 -2.684 1.00 0.00 H new ATOM 0 HA LEU A 3 6.400 -3.341 -5.651 1.00 0.00 H new ATOM 0 HB2 LEU A 3 8.212 -1.646 -5.414 1.00 0.00 H new ATOM 0 HB3 LEU A 3 6.585 -1.057 -5.135 1.00 0.00 H new ATOM 0 HG LEU A 3 7.094 -1.235 -2.621 1.00 0.00 H new ATOM 0 HD11 LEU A 3 9.456 -1.065 -1.902 1.00 0.00 H new ATOM 0 HD12 LEU A 3 9.073 -2.642 -2.635 1.00 0.00 H new ATOM 0 HD13 LEU A 3 9.975 -1.423 -3.567 1.00 0.00 H new ATOM 0 HD21 LEU A 3 8.277 0.991 -2.601 1.00 0.00 H new ATOM 0 HD22 LEU A 3 8.665 0.776 -4.325 1.00 0.00 H new ATOM 0 HD23 LEU A 3 6.970 0.939 -3.808 1.00 0.00 H new ATOM 54 N PHE A 4 8.697 -4.481 -5.571 1.00 0.00 N ATOM 55 CA PHE A 4 9.755 -5.503 -5.601 1.00 0.00 C ATOM 56 C PHE A 4 11.102 -4.870 -5.225 1.00 0.00 C ATOM 57 O PHE A 4 11.383 -3.729 -5.599 1.00 0.00 O ATOM 58 CB PHE A 4 9.851 -6.149 -7.009 1.00 0.00 C ATOM 59 CG PHE A 4 8.503 -6.597 -7.593 1.00 0.00 C ATOM 60 CD1 PHE A 4 7.713 -5.712 -8.343 1.00 0.00 C ATOM 61 CD2 PHE A 4 8.014 -7.882 -7.376 1.00 0.00 C ATOM 62 CE1 PHE A 4 6.496 -6.113 -8.861 1.00 0.00 C ATOM 63 CE2 PHE A 4 6.796 -8.279 -7.894 1.00 0.00 C ATOM 64 CZ PHE A 4 6.033 -7.391 -8.630 1.00 0.00 C ATOM 0 H PHE A 4 8.570 -4.004 -6.463 1.00 0.00 H new ATOM 0 HA PHE A 4 9.507 -6.281 -4.879 1.00 0.00 H new ATOM 0 HB2 PHE A 4 10.310 -5.435 -7.693 1.00 0.00 H new ATOM 0 HB3 PHE A 4 10.515 -7.012 -6.955 1.00 0.00 H new ATOM 0 HD1 PHE A 4 8.061 -4.704 -8.518 1.00 0.00 H new ATOM 0 HD2 PHE A 4 8.596 -8.580 -6.793 1.00 0.00 H new ATOM 0 HE1 PHE A 4 5.907 -5.424 -9.448 1.00 0.00 H new ATOM 0 HE2 PHE A 4 6.439 -9.284 -7.724 1.00 0.00 H new ATOM 0 HZ PHE A 4 5.075 -7.698 -9.023 1.00 0.00 H new ATOM 74 N VAL A 5 11.911 -5.627 -4.476 1.00 0.00 N ATOM 75 CA VAL A 5 13.264 -5.241 -4.057 1.00 0.00 C ATOM 76 C VAL A 5 14.264 -6.309 -4.551 1.00 0.00 C ATOM 77 O VAL A 5 14.340 -7.420 -3.991 1.00 0.00 O ATOM 78 CB VAL A 5 13.344 -5.078 -2.488 1.00 0.00 C ATOM 79 CG1 VAL A 5 14.772 -4.715 -2.026 1.00 0.00 C ATOM 80 CG2 VAL A 5 12.307 -4.037 -1.980 1.00 0.00 C ATOM 0 H VAL A 5 11.637 -6.548 -4.135 1.00 0.00 H new ATOM 0 HA VAL A 5 13.517 -4.276 -4.497 1.00 0.00 H new ATOM 0 HB VAL A 5 13.095 -6.043 -2.046 1.00 0.00 H new ATOM 0 HG11 VAL A 5 14.788 -4.611 -0.941 1.00 0.00 H new ATOM 0 HG12 VAL A 5 15.463 -5.503 -2.325 1.00 0.00 H new ATOM 0 HG13 VAL A 5 15.075 -3.774 -2.485 1.00 0.00 H new ATOM 0 HG21 VAL A 5 12.384 -3.945 -0.897 1.00 0.00 H new ATOM 0 HG22 VAL A 5 12.506 -3.070 -2.441 1.00 0.00 H new ATOM 0 HG23 VAL A 5 11.302 -4.365 -2.245 1.00 0.00 H new ATOM 90 N ARG A 6 14.985 -5.979 -5.639 1.00 0.00 N ATOM 91 CA ARG A 6 16.024 -6.835 -6.224 1.00 0.00 C ATOM 92 C ARG A 6 17.316 -6.733 -5.385 1.00 0.00 C ATOM 93 O ARG A 6 18.117 -5.817 -5.551 1.00 0.00 O ATOM 94 CB ARG A 6 16.300 -6.440 -7.706 1.00 0.00 C ATOM 95 CG ARG A 6 17.249 -7.407 -8.470 1.00 0.00 C ATOM 96 CD ARG A 6 17.670 -6.865 -9.850 1.00 0.00 C ATOM 97 NE ARG A 6 16.507 -6.485 -10.678 1.00 0.00 N ATOM 98 CZ ARG A 6 16.375 -5.322 -11.347 1.00 0.00 C ATOM 99 NH1 ARG A 6 17.319 -4.392 -11.293 1.00 0.00 N ATOM 100 NH2 ARG A 6 15.285 -5.091 -12.051 1.00 0.00 N ATOM 0 H ARG A 6 14.858 -5.099 -6.139 1.00 0.00 H new ATOM 0 HA ARG A 6 15.674 -7.867 -6.214 1.00 0.00 H new ATOM 0 HB2 ARG A 6 15.350 -6.390 -8.238 1.00 0.00 H new ATOM 0 HB3 ARG A 6 16.730 -5.439 -7.727 1.00 0.00 H new ATOM 0 HG2 ARG A 6 18.140 -7.586 -7.868 1.00 0.00 H new ATOM 0 HG3 ARG A 6 16.753 -8.369 -8.599 1.00 0.00 H new ATOM 0 HD2 ARG A 6 18.317 -5.998 -9.716 1.00 0.00 H new ATOM 0 HD3 ARG A 6 18.255 -7.622 -10.373 1.00 0.00 H new ATOM 0 HE ARG A 6 15.743 -7.156 -10.749 1.00 0.00 H new ATOM 0 HH11 ARG A 6 18.161 -4.551 -10.739 1.00 0.00 H new ATOM 0 HH12 ARG A 6 17.203 -3.518 -11.805 1.00 0.00 H new ATOM 0 HH21 ARG A 6 14.544 -5.791 -12.089 1.00 0.00 H new ATOM 0 HH22 ARG A 6 15.182 -4.212 -12.558 1.00 0.00 H new ATOM 114 N ALA A 7 17.457 -7.660 -4.446 1.00 0.00 N ATOM 115 CA ALA A 7 18.666 -7.855 -3.630 1.00 0.00 C ATOM 116 C ALA A 7 19.434 -9.062 -4.192 1.00 0.00 C ATOM 117 O ALA A 7 19.089 -9.551 -5.281 1.00 0.00 O ATOM 118 CB ALA A 7 18.282 -8.053 -2.152 1.00 0.00 C ATOM 0 H ALA A 7 16.715 -8.321 -4.218 1.00 0.00 H new ATOM 0 HA ALA A 7 19.309 -6.976 -3.675 1.00 0.00 H new ATOM 0 HB1 ALA A 7 19.184 -8.196 -1.558 1.00 0.00 H new ATOM 0 HB2 ALA A 7 17.748 -7.173 -1.794 1.00 0.00 H new ATOM 0 HB3 ALA A 7 17.642 -8.930 -2.057 1.00 0.00 H new ATOM 124 N GLN A 8 20.525 -9.475 -3.503 1.00 0.00 N ATOM 125 CA GLN A 8 21.237 -10.768 -3.764 1.00 0.00 C ATOM 126 C GLN A 8 20.242 -11.942 -4.030 1.00 0.00 C ATOM 127 O GLN A 8 20.495 -12.820 -4.864 1.00 0.00 O ATOM 128 CB GLN A 8 22.170 -11.117 -2.565 1.00 0.00 C ATOM 129 CG GLN A 8 21.458 -11.117 -1.200 1.00 0.00 C ATOM 130 CD GLN A 8 22.310 -11.562 -0.010 1.00 0.00 C ATOM 131 OE1 GLN A 8 23.529 -11.396 0.008 1.00 0.00 O ATOM 132 NE2 GLN A 8 21.664 -12.126 1.004 1.00 0.00 N ATOM 0 H GLN A 8 20.943 -8.928 -2.750 1.00 0.00 H new ATOM 0 HA GLN A 8 21.836 -10.636 -4.665 1.00 0.00 H new ATOM 0 HB2 GLN A 8 22.610 -12.100 -2.734 1.00 0.00 H new ATOM 0 HB3 GLN A 8 22.991 -10.401 -2.536 1.00 0.00 H new ATOM 0 HG2 GLN A 8 21.088 -10.111 -1.003 1.00 0.00 H new ATOM 0 HG3 GLN A 8 20.587 -11.769 -1.265 1.00 0.00 H new ATOM 0 HE21 GLN A 8 20.653 -12.250 0.959 1.00 0.00 H new ATOM 0 HE22 GLN A 8 22.179 -12.436 1.828 1.00 0.00 H new ATOM 141 N GLU A 9 19.111 -11.921 -3.300 1.00 0.00 N ATOM 142 CA GLU A 9 17.931 -12.762 -3.565 1.00 0.00 C ATOM 143 C GLU A 9 16.740 -11.838 -3.888 1.00 0.00 C ATOM 144 O GLU A 9 16.723 -10.676 -3.467 1.00 0.00 O ATOM 145 CB GLU A 9 17.630 -13.645 -2.326 1.00 0.00 C ATOM 146 CG GLU A 9 18.742 -14.661 -1.985 1.00 0.00 C ATOM 147 CD GLU A 9 18.459 -15.459 -0.706 1.00 0.00 C ATOM 148 OE1 GLU A 9 17.530 -16.291 -0.710 1.00 0.00 O ATOM 149 OE2 GLU A 9 19.166 -15.267 0.309 1.00 0.00 O ATOM 0 H GLU A 9 18.991 -11.307 -2.494 1.00 0.00 H new ATOM 0 HA GLU A 9 18.113 -13.424 -4.412 1.00 0.00 H new ATOM 0 HB2 GLU A 9 17.468 -12.998 -1.464 1.00 0.00 H new ATOM 0 HB3 GLU A 9 16.700 -14.186 -2.497 1.00 0.00 H new ATOM 0 HG2 GLU A 9 18.861 -15.353 -2.819 1.00 0.00 H new ATOM 0 HG3 GLU A 9 19.688 -14.131 -1.873 1.00 0.00 H new ATOM 156 N LEU A 10 15.753 -12.343 -4.648 1.00 0.00 N ATOM 157 CA LEU A 10 14.547 -11.570 -5.010 1.00 0.00 C ATOM 158 C LEU A 10 13.568 -11.516 -3.826 1.00 0.00 C ATOM 159 O LEU A 10 13.222 -12.547 -3.244 1.00 0.00 O ATOM 160 CB LEU A 10 13.858 -12.145 -6.292 1.00 0.00 C ATOM 161 CG LEU A 10 14.459 -11.683 -7.667 1.00 0.00 C ATOM 162 CD1 LEU A 10 14.430 -10.139 -7.801 1.00 0.00 C ATOM 163 CD2 LEU A 10 15.884 -12.244 -7.887 1.00 0.00 C ATOM 0 H LEU A 10 15.765 -13.290 -5.027 1.00 0.00 H new ATOM 0 HA LEU A 10 14.858 -10.552 -5.243 1.00 0.00 H new ATOM 0 HB2 LEU A 10 13.903 -13.233 -6.247 1.00 0.00 H new ATOM 0 HB3 LEU A 10 12.804 -11.868 -6.268 1.00 0.00 H new ATOM 0 HG LEU A 10 13.827 -12.095 -8.454 1.00 0.00 H new ATOM 0 HD11 LEU A 10 14.853 -9.849 -8.763 1.00 0.00 H new ATOM 0 HD12 LEU A 10 13.400 -9.787 -7.736 1.00 0.00 H new ATOM 0 HD13 LEU A 10 15.017 -9.693 -6.998 1.00 0.00 H new ATOM 0 HD21 LEU A 10 16.265 -11.902 -8.849 1.00 0.00 H new ATOM 0 HD22 LEU A 10 16.540 -11.892 -7.091 1.00 0.00 H new ATOM 0 HD23 LEU A 10 15.852 -13.333 -7.876 1.00 0.00 H new ATOM 175 N HIS A 11 13.159 -10.289 -3.479 1.00 0.00 N ATOM 176 CA HIS A 11 12.218 -9.998 -2.382 1.00 0.00 C ATOM 177 C HIS A 11 11.122 -9.055 -2.899 1.00 0.00 C ATOM 178 O HIS A 11 11.309 -8.382 -3.913 1.00 0.00 O ATOM 179 CB HIS A 11 12.957 -9.338 -1.186 1.00 0.00 C ATOM 180 CG HIS A 11 13.999 -10.206 -0.523 1.00 0.00 C ATOM 181 ND1 HIS A 11 13.718 -11.091 0.495 1.00 0.00 N ATOM 182 CD2 HIS A 11 15.328 -10.331 -0.757 1.00 0.00 C ATOM 183 CE1 HIS A 11 14.823 -11.718 0.850 1.00 0.00 C ATOM 184 NE2 HIS A 11 15.808 -11.271 0.107 1.00 0.00 N ATOM 0 H HIS A 11 13.479 -9.450 -3.962 1.00 0.00 H new ATOM 0 HA HIS A 11 11.774 -10.932 -2.037 1.00 0.00 H new ATOM 0 HB2 HIS A 11 13.436 -8.423 -1.534 1.00 0.00 H new ATOM 0 HB3 HIS A 11 12.219 -9.047 -0.438 1.00 0.00 H new ATOM 0 HD2 HIS A 11 15.902 -9.786 -1.492 1.00 0.00 H new ATOM 0 HE1 HIS A 11 14.903 -12.471 1.620 1.00 0.00 H new ATOM 0 HE2 HIS A 11 16.779 -11.578 0.166 1.00 0.00 H new ATOM 193 N THR A 12 9.979 -9.019 -2.205 1.00 0.00 N ATOM 194 CA THR A 12 8.860 -8.109 -2.510 1.00 0.00 C ATOM 195 C THR A 12 8.225 -7.664 -1.180 1.00 0.00 C ATOM 196 O THR A 12 7.855 -8.512 -0.362 1.00 0.00 O ATOM 197 CB THR A 12 7.792 -8.816 -3.416 1.00 0.00 C ATOM 198 OG1 THR A 12 8.429 -9.401 -4.559 1.00 0.00 O ATOM 199 CG2 THR A 12 6.705 -7.842 -3.903 1.00 0.00 C ATOM 0 H THR A 12 9.799 -9.627 -1.406 1.00 0.00 H new ATOM 0 HA THR A 12 9.231 -7.243 -3.058 1.00 0.00 H new ATOM 0 HB THR A 12 7.316 -9.584 -2.806 1.00 0.00 H new ATOM 0 HG1 THR A 12 7.756 -9.841 -5.119 1.00 0.00 H new ATOM 0 HG21 THR A 12 5.989 -8.378 -4.526 1.00 0.00 H new ATOM 0 HG22 THR A 12 6.189 -7.414 -3.044 1.00 0.00 H new ATOM 0 HG23 THR A 12 7.166 -7.044 -4.484 1.00 0.00 H new ATOM 207 N PHE A 13 8.117 -6.340 -0.942 1.00 0.00 N ATOM 208 CA PHE A 13 7.652 -5.788 0.351 1.00 0.00 C ATOM 209 C PHE A 13 6.601 -4.701 0.139 1.00 0.00 C ATOM 210 O PHE A 13 6.707 -3.888 -0.793 1.00 0.00 O ATOM 211 CB PHE A 13 8.827 -5.173 1.162 1.00 0.00 C ATOM 212 CG PHE A 13 9.973 -6.140 1.450 1.00 0.00 C ATOM 213 CD1 PHE A 13 9.745 -7.330 2.141 1.00 0.00 C ATOM 214 CD2 PHE A 13 11.272 -5.864 1.028 1.00 0.00 C ATOM 215 CE1 PHE A 13 10.774 -8.211 2.389 1.00 0.00 C ATOM 216 CE2 PHE A 13 12.300 -6.745 1.277 1.00 0.00 C ATOM 217 CZ PHE A 13 12.050 -7.917 1.963 1.00 0.00 C ATOM 0 H PHE A 13 8.347 -5.627 -1.634 1.00 0.00 H new ATOM 0 HA PHE A 13 7.220 -6.620 0.906 1.00 0.00 H new ATOM 0 HB2 PHE A 13 9.220 -4.316 0.615 1.00 0.00 H new ATOM 0 HB3 PHE A 13 8.440 -4.796 2.109 1.00 0.00 H new ATOM 0 HD1 PHE A 13 8.749 -7.564 2.486 1.00 0.00 H new ATOM 0 HD2 PHE A 13 11.475 -4.945 0.498 1.00 0.00 H new ATOM 0 HE1 PHE A 13 10.580 -9.133 2.918 1.00 0.00 H new ATOM 0 HE2 PHE A 13 13.300 -6.520 0.937 1.00 0.00 H new ATOM 0 HZ PHE A 13 12.857 -8.605 2.166 1.00 0.00 H new ATOM 227 N GLU A 14 5.590 -4.681 1.018 1.00 0.00 N ATOM 228 CA GLU A 14 4.703 -3.529 1.155 1.00 0.00 C ATOM 229 C GLU A 14 5.412 -2.491 2.031 1.00 0.00 C ATOM 230 O GLU A 14 5.859 -2.810 3.139 1.00 0.00 O ATOM 231 CB GLU A 14 3.317 -3.916 1.738 1.00 0.00 C ATOM 232 CG GLU A 14 2.480 -4.833 0.814 1.00 0.00 C ATOM 233 CD GLU A 14 0.964 -4.722 1.056 1.00 0.00 C ATOM 234 OE1 GLU A 14 0.379 -3.685 0.674 1.00 0.00 O ATOM 235 OE2 GLU A 14 0.360 -5.642 1.645 1.00 0.00 O ATOM 0 H GLU A 14 5.370 -5.455 1.645 1.00 0.00 H new ATOM 0 HA GLU A 14 4.498 -3.112 0.169 1.00 0.00 H new ATOM 0 HB2 GLU A 14 3.464 -4.418 2.695 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.752 -3.006 1.939 1.00 0.00 H new ATOM 0 HG2 GLU A 14 2.694 -4.583 -0.225 1.00 0.00 H new ATOM 0 HG3 GLU A 14 2.790 -5.867 0.963 1.00 0.00 H new ATOM 242 N VAL A 15 5.530 -1.262 1.515 1.00 0.00 N ATOM 243 CA VAL A 15 6.279 -0.178 2.167 1.00 0.00 C ATOM 244 C VAL A 15 5.307 0.878 2.692 1.00 0.00 C ATOM 245 O VAL A 15 4.203 1.049 2.150 1.00 0.00 O ATOM 246 CB VAL A 15 7.325 0.466 1.182 1.00 0.00 C ATOM 247 CG1 VAL A 15 8.411 -0.563 0.778 1.00 0.00 C ATOM 248 CG2 VAL A 15 6.633 1.067 -0.070 1.00 0.00 C ATOM 0 H VAL A 15 5.107 -0.989 0.628 1.00 0.00 H new ATOM 0 HA VAL A 15 6.835 -0.597 3.006 1.00 0.00 H new ATOM 0 HB VAL A 15 7.814 1.285 1.710 1.00 0.00 H new ATOM 0 HG11 VAL A 15 9.121 -0.094 0.097 1.00 0.00 H new ATOM 0 HG12 VAL A 15 8.935 -0.907 1.669 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.941 -1.413 0.283 1.00 0.00 H new ATOM 0 HG21 VAL A 15 7.385 1.503 -0.728 1.00 0.00 H new ATOM 0 HG22 VAL A 15 6.097 0.281 -0.602 1.00 0.00 H new ATOM 0 HG23 VAL A 15 5.930 1.840 0.239 1.00 0.00 H new ATOM 258 N THR A 16 5.725 1.584 3.747 1.00 0.00 N ATOM 259 CA THR A 16 4.845 2.506 4.486 1.00 0.00 C ATOM 260 C THR A 16 4.671 3.851 3.740 1.00 0.00 C ATOM 261 O THR A 16 3.774 4.637 4.062 1.00 0.00 O ATOM 262 CB THR A 16 5.400 2.746 5.934 1.00 0.00 C ATOM 263 OG1 THR A 16 5.918 1.519 6.481 1.00 0.00 O ATOM 264 CG2 THR A 16 4.320 3.286 6.895 1.00 0.00 C ATOM 0 H THR A 16 6.675 1.536 4.114 1.00 0.00 H new ATOM 0 HA THR A 16 3.862 2.041 4.557 1.00 0.00 H new ATOM 0 HB THR A 16 6.190 3.492 5.843 1.00 0.00 H new ATOM 0 HG1 THR A 16 6.263 1.683 7.384 1.00 0.00 H new ATOM 0 HG21 THR A 16 4.754 3.435 7.884 1.00 0.00 H new ATOM 0 HG22 THR A 16 3.940 4.236 6.518 1.00 0.00 H new ATOM 0 HG23 THR A 16 3.502 2.569 6.963 1.00 0.00 H new ATOM 272 N GLY A 17 5.545 4.109 2.738 1.00 0.00 N ATOM 273 CA GLY A 17 5.500 5.344 1.945 1.00 0.00 C ATOM 274 C GLY A 17 6.248 6.477 2.639 1.00 0.00 C ATOM 275 O GLY A 17 7.177 7.051 2.074 1.00 0.00 O ATOM 0 H GLY A 17 6.291 3.469 2.465 1.00 0.00 H new ATOM 0 HA2 GLY A 17 5.938 5.164 0.963 1.00 0.00 H new ATOM 0 HA3 GLY A 17 4.463 5.636 1.782 1.00 0.00 H new ATOM 279 N GLN A 18 5.829 6.770 3.890 1.00 0.00 N ATOM 280 CA GLN A 18 6.526 7.713 4.804 1.00 0.00 C ATOM 281 C GLN A 18 7.866 7.122 5.299 1.00 0.00 C ATOM 282 O GLN A 18 8.687 7.823 5.892 1.00 0.00 O ATOM 283 CB GLN A 18 5.609 8.051 6.011 1.00 0.00 C ATOM 284 CG GLN A 18 5.269 6.849 6.926 1.00 0.00 C ATOM 285 CD GLN A 18 4.423 7.209 8.152 1.00 0.00 C ATOM 286 OE1 GLN A 18 3.626 8.146 8.127 1.00 0.00 O ATOM 287 NE2 GLN A 18 4.586 6.462 9.237 1.00 0.00 N ATOM 0 H GLN A 18 4.991 6.357 4.301 1.00 0.00 H new ATOM 0 HA GLN A 18 6.746 8.627 4.252 1.00 0.00 H new ATOM 0 HB2 GLN A 18 6.092 8.821 6.612 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.679 8.477 5.634 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.737 6.100 6.339 1.00 0.00 H new ATOM 0 HG3 GLN A 18 6.198 6.389 7.263 1.00 0.00 H new ATOM 0 HE21 GLN A 18 5.254 5.691 9.230 1.00 0.00 H new ATOM 0 HE22 GLN A 18 4.043 6.659 10.078 1.00 0.00 H new ATOM 296 N GLU A 19 8.034 5.813 5.071 1.00 0.00 N ATOM 297 CA GLU A 19 9.290 5.087 5.272 1.00 0.00 C ATOM 298 C GLU A 19 10.376 5.635 4.313 1.00 0.00 C ATOM 299 O GLU A 19 10.071 5.949 3.162 1.00 0.00 O ATOM 300 CB GLU A 19 9.010 3.579 5.028 1.00 0.00 C ATOM 301 CG GLU A 19 10.245 2.660 5.028 1.00 0.00 C ATOM 302 CD GLU A 19 9.911 1.158 4.969 1.00 0.00 C ATOM 303 OE1 GLU A 19 8.897 0.776 4.334 1.00 0.00 O ATOM 304 OE2 GLU A 19 10.658 0.351 5.567 1.00 0.00 O ATOM 0 H GLU A 19 7.279 5.216 4.733 1.00 0.00 H new ATOM 0 HA GLU A 19 9.664 5.222 6.287 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.319 3.228 5.795 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.502 3.474 4.069 1.00 0.00 H new ATOM 0 HG2 GLU A 19 10.874 2.915 4.175 1.00 0.00 H new ATOM 0 HG3 GLU A 19 10.830 2.856 5.926 1.00 0.00 H new ATOM 311 N THR A 20 11.621 5.783 4.804 1.00 0.00 N ATOM 312 CA THR A 20 12.739 6.327 4.004 1.00 0.00 C ATOM 313 C THR A 20 13.558 5.211 3.327 1.00 0.00 C ATOM 314 O THR A 20 13.391 4.021 3.623 1.00 0.00 O ATOM 315 CB THR A 20 13.694 7.212 4.875 1.00 0.00 C ATOM 316 OG1 THR A 20 14.317 6.421 5.898 1.00 0.00 O ATOM 317 CG2 THR A 20 12.960 8.398 5.517 1.00 0.00 C ATOM 0 H THR A 20 11.881 5.532 5.758 1.00 0.00 H new ATOM 0 HA THR A 20 12.286 6.947 3.230 1.00 0.00 H new ATOM 0 HB THR A 20 14.455 7.612 4.205 1.00 0.00 H new ATOM 0 HG1 THR A 20 14.784 7.009 6.528 1.00 0.00 H new ATOM 0 HG21 THR A 20 13.663 8.982 6.111 1.00 0.00 H new ATOM 0 HG22 THR A 20 12.533 9.028 4.736 1.00 0.00 H new ATOM 0 HG23 THR A 20 12.162 8.027 6.160 1.00 0.00 H new ATOM 325 N VAL A 21 14.467 5.631 2.429 1.00 0.00 N ATOM 326 CA VAL A 21 15.457 4.751 1.780 1.00 0.00 C ATOM 327 C VAL A 21 16.446 4.184 2.822 1.00 0.00 C ATOM 328 O VAL A 21 16.902 3.048 2.695 1.00 0.00 O ATOM 329 CB VAL A 21 16.214 5.551 0.651 1.00 0.00 C ATOM 330 CG1 VAL A 21 17.486 4.828 0.139 1.00 0.00 C ATOM 331 CG2 VAL A 21 15.247 5.879 -0.515 1.00 0.00 C ATOM 0 H VAL A 21 14.536 6.604 2.129 1.00 0.00 H new ATOM 0 HA VAL A 21 14.942 3.906 1.323 1.00 0.00 H new ATOM 0 HB VAL A 21 16.560 6.482 1.099 1.00 0.00 H new ATOM 0 HG11 VAL A 21 17.960 5.430 -0.636 1.00 0.00 H new ATOM 0 HG12 VAL A 21 18.182 4.687 0.966 1.00 0.00 H new ATOM 0 HG13 VAL A 21 17.212 3.857 -0.273 1.00 0.00 H new ATOM 0 HG21 VAL A 21 15.782 6.431 -1.287 1.00 0.00 H new ATOM 0 HG22 VAL A 21 14.857 4.952 -0.936 1.00 0.00 H new ATOM 0 HG23 VAL A 21 14.421 6.484 -0.143 1.00 0.00 H new ATOM 341 N ALA A 22 16.720 4.983 3.873 1.00 0.00 N ATOM 342 CA ALA A 22 17.611 4.600 4.981 1.00 0.00 C ATOM 343 C ALA A 22 17.016 3.412 5.752 1.00 0.00 C ATOM 344 O ALA A 22 17.734 2.458 6.091 1.00 0.00 O ATOM 345 CB ALA A 22 17.842 5.806 5.909 1.00 0.00 C ATOM 0 H ALA A 22 16.325 5.918 3.975 1.00 0.00 H new ATOM 0 HA ALA A 22 18.575 4.291 4.578 1.00 0.00 H new ATOM 0 HB1 ALA A 22 18.502 5.515 6.726 1.00 0.00 H new ATOM 0 HB2 ALA A 22 18.300 6.618 5.344 1.00 0.00 H new ATOM 0 HB3 ALA A 22 16.887 6.141 6.315 1.00 0.00 H new ATOM 351 N GLN A 23 15.682 3.484 5.975 1.00 0.00 N ATOM 352 CA GLN A 23 14.900 2.410 6.616 1.00 0.00 C ATOM 353 C GLN A 23 14.947 1.132 5.761 1.00 0.00 C ATOM 354 O GLN A 23 15.236 0.068 6.284 1.00 0.00 O ATOM 355 CB GLN A 23 13.422 2.852 6.836 1.00 0.00 C ATOM 356 CG GLN A 23 13.217 4.103 7.728 1.00 0.00 C ATOM 357 CD GLN A 23 13.499 3.903 9.228 1.00 0.00 C ATOM 358 OE1 GLN A 23 14.320 3.079 9.633 1.00 0.00 O ATOM 359 NE2 GLN A 23 12.818 4.671 10.064 1.00 0.00 N ATOM 0 H GLN A 23 15.120 4.294 5.713 1.00 0.00 H new ATOM 0 HA GLN A 23 15.345 2.203 7.589 1.00 0.00 H new ATOM 0 HB2 GLN A 23 12.972 3.046 5.862 1.00 0.00 H new ATOM 0 HB3 GLN A 23 12.876 2.019 7.280 1.00 0.00 H new ATOM 0 HG2 GLN A 23 13.862 4.900 7.358 1.00 0.00 H new ATOM 0 HG3 GLN A 23 12.189 4.445 7.612 1.00 0.00 H new ATOM 0 HE21 GLN A 23 12.144 5.346 9.703 1.00 0.00 H new ATOM 0 HE22 GLN A 23 12.968 4.588 11.070 1.00 0.00 H new ATOM 368 N ILE A 24 14.692 1.279 4.435 1.00 0.00 N ATOM 369 CA ILE A 24 14.728 0.160 3.447 1.00 0.00 C ATOM 370 C ILE A 24 16.101 -0.557 3.473 1.00 0.00 C ATOM 371 O ILE A 24 16.169 -1.780 3.551 1.00 0.00 O ATOM 372 CB ILE A 24 14.433 0.679 1.975 1.00 0.00 C ATOM 373 CG1 ILE A 24 13.006 1.320 1.866 1.00 0.00 C ATOM 374 CG2 ILE A 24 14.618 -0.441 0.908 1.00 0.00 C ATOM 375 CD1 ILE A 24 11.848 0.354 2.062 1.00 0.00 C ATOM 0 H ILE A 24 14.455 2.178 4.016 1.00 0.00 H new ATOM 0 HA ILE A 24 13.949 -0.546 3.733 1.00 0.00 H new ATOM 0 HB ILE A 24 15.170 1.454 1.765 1.00 0.00 H new ATOM 0 HG12 ILE A 24 12.925 2.115 2.607 1.00 0.00 H new ATOM 0 HG13 ILE A 24 12.908 1.786 0.886 1.00 0.00 H new ATOM 0 HG21 ILE A 24 14.405 -0.039 -0.082 1.00 0.00 H new ATOM 0 HG22 ILE A 24 15.644 -0.807 0.938 1.00 0.00 H new ATOM 0 HG23 ILE A 24 13.934 -1.263 1.120 1.00 0.00 H new ATOM 0 HD11 ILE A 24 10.905 0.893 1.968 1.00 0.00 H new ATOM 0 HD12 ILE A 24 11.896 -0.429 1.305 1.00 0.00 H new ATOM 0 HD13 ILE A 24 11.912 -0.095 3.053 1.00 0.00 H new ATOM 387 N LYS A 25 17.170 0.255 3.448 1.00 0.00 N ATOM 388 CA LYS A 25 18.574 -0.195 3.370 1.00 0.00 C ATOM 389 C LYS A 25 18.958 -1.044 4.604 1.00 0.00 C ATOM 390 O LYS A 25 19.455 -2.174 4.471 1.00 0.00 O ATOM 391 CB LYS A 25 19.452 1.079 3.242 1.00 0.00 C ATOM 392 CG LYS A 25 20.957 0.863 3.002 1.00 0.00 C ATOM 393 CD LYS A 25 21.682 2.209 2.710 1.00 0.00 C ATOM 394 CE LYS A 25 23.195 2.038 2.596 1.00 0.00 C ATOM 395 NZ LYS A 25 23.916 3.292 2.258 1.00 0.00 N ATOM 0 H LYS A 25 17.082 1.271 3.482 1.00 0.00 H new ATOM 0 HA LYS A 25 18.728 -0.842 2.507 1.00 0.00 H new ATOM 0 HB2 LYS A 25 19.060 1.681 2.422 1.00 0.00 H new ATOM 0 HB3 LYS A 25 19.334 1.666 4.153 1.00 0.00 H new ATOM 0 HG2 LYS A 25 21.403 0.390 3.877 1.00 0.00 H new ATOM 0 HG3 LYS A 25 21.100 0.181 2.164 1.00 0.00 H new ATOM 0 HD2 LYS A 25 21.296 2.634 1.784 1.00 0.00 H new ATOM 0 HD3 LYS A 25 21.458 2.920 3.505 1.00 0.00 H new ATOM 0 HE2 LYS A 25 23.580 1.652 3.540 1.00 0.00 H new ATOM 0 HE3 LYS A 25 23.410 1.289 1.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 24.936 3.158 2.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 23.745 3.533 1.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 23.573 4.064 2.865 1.00 0.00 H new ATOM 409 N ALA A 26 18.649 -0.500 5.797 1.00 0.00 N ATOM 410 CA ALA A 26 18.935 -1.157 7.093 1.00 0.00 C ATOM 411 C ALA A 26 18.036 -2.390 7.296 1.00 0.00 C ATOM 412 O ALA A 26 18.460 -3.386 7.893 1.00 0.00 O ATOM 413 CB ALA A 26 18.755 -0.149 8.246 1.00 0.00 C ATOM 0 H ALA A 26 18.194 0.408 5.892 1.00 0.00 H new ATOM 0 HA ALA A 26 19.970 -1.500 7.088 1.00 0.00 H new ATOM 0 HB1 ALA A 26 18.967 -0.641 9.195 1.00 0.00 H new ATOM 0 HB2 ALA A 26 19.441 0.687 8.109 1.00 0.00 H new ATOM 0 HB3 ALA A 26 17.729 0.220 8.250 1.00 0.00 H new ATOM 419 N HIS A 27 16.796 -2.312 6.762 1.00 0.00 N ATOM 420 CA HIS A 27 15.804 -3.399 6.816 1.00 0.00 C ATOM 421 C HIS A 27 16.320 -4.630 6.063 1.00 0.00 C ATOM 422 O HIS A 27 16.394 -5.711 6.636 1.00 0.00 O ATOM 423 CB HIS A 27 14.447 -2.924 6.223 1.00 0.00 C ATOM 424 CG HIS A 27 13.311 -3.915 6.321 1.00 0.00 C ATOM 425 ND1 HIS A 27 12.376 -4.092 5.321 1.00 0.00 N ATOM 426 CD2 HIS A 27 12.933 -4.743 7.328 1.00 0.00 C ATOM 427 CE1 HIS A 27 11.485 -4.981 5.709 1.00 0.00 C ATOM 428 NE2 HIS A 27 11.799 -5.392 6.920 1.00 0.00 N ATOM 0 H HIS A 27 16.457 -1.481 6.277 1.00 0.00 H new ATOM 0 HA HIS A 27 15.646 -3.675 7.859 1.00 0.00 H new ATOM 0 HB2 HIS A 27 14.150 -2.006 6.731 1.00 0.00 H new ATOM 0 HB3 HIS A 27 14.597 -2.673 5.173 1.00 0.00 H new ATOM 0 HD2 HIS A 27 13.435 -4.867 8.276 1.00 0.00 H new ATOM 0 HE1 HIS A 27 10.638 -5.317 5.130 1.00 0.00 H new ATOM 0 HE2 HIS A 27 11.282 -6.082 7.465 1.00 0.00 H new ATOM 437 N VAL A 28 16.722 -4.429 4.789 1.00 0.00 N ATOM 438 CA VAL A 28 17.222 -5.512 3.911 1.00 0.00 C ATOM 439 C VAL A 28 18.475 -6.175 4.527 1.00 0.00 C ATOM 440 O VAL A 28 18.623 -7.398 4.484 1.00 0.00 O ATOM 441 CB VAL A 28 17.526 -4.974 2.456 1.00 0.00 C ATOM 442 CG1 VAL A 28 18.146 -6.064 1.548 1.00 0.00 C ATOM 443 CG2 VAL A 28 16.240 -4.389 1.810 1.00 0.00 C ATOM 0 H VAL A 28 16.709 -3.513 4.340 1.00 0.00 H new ATOM 0 HA VAL A 28 16.440 -6.267 3.828 1.00 0.00 H new ATOM 0 HB VAL A 28 18.264 -4.178 2.554 1.00 0.00 H new ATOM 0 HG11 VAL A 28 18.337 -5.648 0.559 1.00 0.00 H new ATOM 0 HG12 VAL A 28 19.083 -6.411 1.984 1.00 0.00 H new ATOM 0 HG13 VAL A 28 17.454 -6.902 1.461 1.00 0.00 H new ATOM 0 HG21 VAL A 28 16.469 -4.024 0.809 1.00 0.00 H new ATOM 0 HG22 VAL A 28 15.479 -5.166 1.747 1.00 0.00 H new ATOM 0 HG23 VAL A 28 15.868 -3.566 2.420 1.00 0.00 H new ATOM 453 N ALA A 29 19.332 -5.337 5.140 1.00 0.00 N ATOM 454 CA ALA A 29 20.530 -5.785 5.867 1.00 0.00 C ATOM 455 C ALA A 29 20.182 -6.721 7.037 1.00 0.00 C ATOM 456 O ALA A 29 20.792 -7.782 7.193 1.00 0.00 O ATOM 457 CB ALA A 29 21.317 -4.574 6.364 1.00 0.00 C ATOM 0 H ALA A 29 19.210 -4.324 5.144 1.00 0.00 H new ATOM 0 HA ALA A 29 21.146 -6.358 5.173 1.00 0.00 H new ATOM 0 HB1 ALA A 29 22.203 -4.912 6.902 1.00 0.00 H new ATOM 0 HB2 ALA A 29 21.619 -3.963 5.514 1.00 0.00 H new ATOM 0 HB3 ALA A 29 20.691 -3.982 7.032 1.00 0.00 H new ATOM 463 N SER A 30 19.193 -6.307 7.849 1.00 0.00 N ATOM 464 CA SER A 30 18.739 -7.059 9.031 1.00 0.00 C ATOM 465 C SER A 30 18.066 -8.391 8.623 1.00 0.00 C ATOM 466 O SER A 30 18.208 -9.405 9.314 1.00 0.00 O ATOM 467 CB SER A 30 17.763 -6.183 9.854 1.00 0.00 C ATOM 468 OG SER A 30 17.430 -6.789 11.094 1.00 0.00 O ATOM 0 H SER A 30 18.684 -5.436 7.702 1.00 0.00 H new ATOM 0 HA SER A 30 19.606 -7.306 9.644 1.00 0.00 H new ATOM 0 HB2 SER A 30 18.215 -5.208 10.036 1.00 0.00 H new ATOM 0 HB3 SER A 30 16.854 -6.011 9.277 1.00 0.00 H new ATOM 0 HG SER A 30 16.814 -6.208 11.587 1.00 0.00 H new ATOM 474 N LEU A 31 17.352 -8.363 7.484 1.00 0.00 N ATOM 475 CA LEU A 31 16.644 -9.535 6.928 1.00 0.00 C ATOM 476 C LEU A 31 17.622 -10.621 6.450 1.00 0.00 C ATOM 477 O LEU A 31 17.462 -11.800 6.778 1.00 0.00 O ATOM 478 CB LEU A 31 15.736 -9.102 5.747 1.00 0.00 C ATOM 479 CG LEU A 31 14.567 -8.132 6.100 1.00 0.00 C ATOM 480 CD1 LEU A 31 13.885 -7.604 4.830 1.00 0.00 C ATOM 481 CD2 LEU A 31 13.541 -8.782 7.058 1.00 0.00 C ATOM 0 H LEU A 31 17.248 -7.521 6.917 1.00 0.00 H new ATOM 0 HA LEU A 31 16.035 -9.956 7.728 1.00 0.00 H new ATOM 0 HB2 LEU A 31 16.360 -8.626 4.991 1.00 0.00 H new ATOM 0 HB3 LEU A 31 15.313 -9.998 5.293 1.00 0.00 H new ATOM 0 HG LEU A 31 15.002 -7.283 6.628 1.00 0.00 H new ATOM 0 HD11 LEU A 31 13.074 -6.930 5.106 1.00 0.00 H new ATOM 0 HD12 LEU A 31 14.613 -7.066 4.223 1.00 0.00 H new ATOM 0 HD13 LEU A 31 13.483 -8.440 4.258 1.00 0.00 H new ATOM 0 HD21 LEU A 31 12.745 -8.070 7.276 1.00 0.00 H new ATOM 0 HD22 LEU A 31 13.116 -9.669 6.588 1.00 0.00 H new ATOM 0 HD23 LEU A 31 14.038 -9.066 7.986 1.00 0.00 H new ATOM 493 N GLU A 32 18.631 -10.214 5.666 1.00 0.00 N ATOM 494 CA GLU A 32 19.553 -11.156 4.999 1.00 0.00 C ATOM 495 C GLU A 32 20.847 -11.363 5.811 1.00 0.00 C ATOM 496 O GLU A 32 21.705 -12.159 5.416 1.00 0.00 O ATOM 497 CB GLU A 32 19.867 -10.655 3.565 1.00 0.00 C ATOM 498 CG GLU A 32 18.609 -10.311 2.728 1.00 0.00 C ATOM 499 CD GLU A 32 18.901 -10.157 1.227 1.00 0.00 C ATOM 500 OE1 GLU A 32 19.385 -9.090 0.811 1.00 0.00 O ATOM 501 OE2 GLU A 32 18.668 -11.127 0.462 1.00 0.00 O ATOM 0 H GLU A 32 18.833 -9.233 5.475 1.00 0.00 H new ATOM 0 HA GLU A 32 19.062 -12.127 4.936 1.00 0.00 H new ATOM 0 HB2 GLU A 32 20.500 -9.770 3.631 1.00 0.00 H new ATOM 0 HB3 GLU A 32 20.441 -11.420 3.042 1.00 0.00 H new ATOM 0 HG2 GLU A 32 17.863 -11.093 2.868 1.00 0.00 H new ATOM 0 HG3 GLU A 32 18.173 -9.385 3.103 1.00 0.00 H new ATOM 508 N GLY A 33 20.973 -10.640 6.944 1.00 0.00 N ATOM 509 CA GLY A 33 22.143 -10.748 7.828 1.00 0.00 C ATOM 510 C GLY A 33 23.421 -10.191 7.199 1.00 0.00 C ATOM 511 O GLY A 33 24.526 -10.633 7.522 1.00 0.00 O ATOM 0 H GLY A 33 20.272 -9.973 7.266 1.00 0.00 H new ATOM 0 HA2 GLY A 33 21.940 -10.215 8.757 1.00 0.00 H new ATOM 0 HA3 GLY A 33 22.299 -11.795 8.088 1.00 0.00 H new ATOM 515 N ILE A 34 23.253 -9.213 6.295 1.00 0.00 N ATOM 516 CA ILE A 34 24.358 -8.584 5.537 1.00 0.00 C ATOM 517 C ILE A 34 24.603 -7.138 6.027 1.00 0.00 C ATOM 518 O ILE A 34 23.884 -6.642 6.904 1.00 0.00 O ATOM 519 CB ILE A 34 24.060 -8.622 3.986 1.00 0.00 C ATOM 520 CG1 ILE A 34 22.687 -7.947 3.647 1.00 0.00 C ATOM 521 CG2 ILE A 34 24.104 -10.080 3.451 1.00 0.00 C ATOM 522 CD1 ILE A 34 22.346 -7.894 2.162 1.00 0.00 C ATOM 0 H ILE A 34 22.337 -8.829 6.064 1.00 0.00 H new ATOM 0 HA ILE A 34 25.269 -9.154 5.716 1.00 0.00 H new ATOM 0 HB ILE A 34 24.841 -8.049 3.487 1.00 0.00 H new ATOM 0 HG12 ILE A 34 21.896 -8.486 4.167 1.00 0.00 H new ATOM 0 HG13 ILE A 34 22.692 -6.930 4.040 1.00 0.00 H new ATOM 0 HG21 ILE A 34 23.896 -10.081 2.381 1.00 0.00 H new ATOM 0 HG22 ILE A 34 25.093 -10.503 3.629 1.00 0.00 H new ATOM 0 HG23 ILE A 34 23.354 -10.680 3.967 1.00 0.00 H new ATOM 0 HD11 ILE A 34 21.379 -7.410 2.028 1.00 0.00 H new ATOM 0 HD12 ILE A 34 23.112 -7.327 1.633 1.00 0.00 H new ATOM 0 HD13 ILE A 34 22.303 -8.907 1.762 1.00 0.00 H new ATOM 534 N ALA A 35 25.622 -6.470 5.448 1.00 0.00 N ATOM 535 CA ALA A 35 26.099 -5.150 5.918 1.00 0.00 C ATOM 536 C ALA A 35 25.357 -3.992 5.203 1.00 0.00 C ATOM 537 O ALA A 35 25.446 -3.884 3.973 1.00 0.00 O ATOM 538 CB ALA A 35 27.618 -5.038 5.691 1.00 0.00 C ATOM 0 H ALA A 35 26.137 -6.828 4.644 1.00 0.00 H new ATOM 0 HA ALA A 35 25.886 -5.067 6.984 1.00 0.00 H new ATOM 0 HB1 ALA A 35 27.967 -4.065 6.038 1.00 0.00 H new ATOM 0 HB2 ALA A 35 28.128 -5.825 6.246 1.00 0.00 H new ATOM 0 HB3 ALA A 35 27.836 -5.144 4.628 1.00 0.00 H new ATOM 544 N PRO A 36 24.643 -3.077 5.954 1.00 0.00 N ATOM 545 CA PRO A 36 23.943 -1.913 5.344 1.00 0.00 C ATOM 546 C PRO A 36 24.947 -0.941 4.681 1.00 0.00 C ATOM 547 O PRO A 36 24.648 -0.346 3.658 1.00 0.00 O ATOM 548 CB PRO A 36 23.192 -1.261 6.538 1.00 0.00 C ATOM 549 CG PRO A 36 23.965 -1.696 7.749 1.00 0.00 C ATOM 550 CD PRO A 36 24.484 -3.089 7.436 1.00 0.00 C ATOM 0 HA PRO A 36 23.262 -2.198 4.542 1.00 0.00 H new ATOM 0 HB2 PRO A 36 23.172 -0.175 6.449 1.00 0.00 H new ATOM 0 HB3 PRO A 36 22.156 -1.596 6.586 1.00 0.00 H new ATOM 0 HG2 PRO A 36 24.787 -1.010 7.954 1.00 0.00 H new ATOM 0 HG3 PRO A 36 23.330 -1.706 8.635 1.00 0.00 H new ATOM 0 HD2 PRO A 36 25.430 -3.287 7.939 1.00 0.00 H new ATOM 0 HD3 PRO A 36 23.784 -3.860 7.758 1.00 0.00 H new ATOM 558 N GLU A 37 26.165 -0.861 5.257 1.00 0.00 N ATOM 559 CA GLU A 37 27.257 0.022 4.773 1.00 0.00 C ATOM 560 C GLU A 37 27.738 -0.361 3.347 1.00 0.00 C ATOM 561 O GLU A 37 28.324 0.468 2.647 1.00 0.00 O ATOM 562 CB GLU A 37 28.450 -0.039 5.767 1.00 0.00 C ATOM 563 CG GLU A 37 29.089 -1.438 5.889 1.00 0.00 C ATOM 564 CD GLU A 37 30.250 -1.496 6.890 1.00 0.00 C ATOM 565 OE1 GLU A 37 31.282 -0.834 6.652 1.00 0.00 O ATOM 566 OE2 GLU A 37 30.144 -2.206 7.913 1.00 0.00 O ATOM 0 H GLU A 37 26.424 -1.410 6.077 1.00 0.00 H new ATOM 0 HA GLU A 37 26.863 1.037 4.719 1.00 0.00 H new ATOM 0 HB2 GLU A 37 29.213 0.672 5.449 1.00 0.00 H new ATOM 0 HB3 GLU A 37 28.107 0.281 6.751 1.00 0.00 H new ATOM 0 HG2 GLU A 37 28.324 -2.153 6.191 1.00 0.00 H new ATOM 0 HG3 GLU A 37 29.449 -1.751 4.909 1.00 0.00 H new ATOM 573 N ASP A 38 27.483 -1.627 2.945 1.00 0.00 N ATOM 574 CA ASP A 38 27.903 -2.182 1.635 1.00 0.00 C ATOM 575 C ASP A 38 26.824 -1.931 0.548 1.00 0.00 C ATOM 576 O ASP A 38 27.084 -2.059 -0.655 1.00 0.00 O ATOM 577 CB ASP A 38 28.182 -3.699 1.824 1.00 0.00 C ATOM 578 CG ASP A 38 28.648 -4.428 0.549 1.00 0.00 C ATOM 579 OD1 ASP A 38 29.835 -4.296 0.175 1.00 0.00 O ATOM 580 OD2 ASP A 38 27.834 -5.139 -0.083 1.00 0.00 O ATOM 0 H ASP A 38 26.977 -2.298 3.523 1.00 0.00 H new ATOM 0 HA ASP A 38 28.808 -1.683 1.290 1.00 0.00 H new ATOM 0 HB2 ASP A 38 28.942 -3.822 2.596 1.00 0.00 H new ATOM 0 HB3 ASP A 38 27.275 -4.179 2.191 1.00 0.00 H new ATOM 585 N GLN A 39 25.627 -1.527 0.990 1.00 0.00 N ATOM 586 CA GLN A 39 24.427 -1.420 0.137 1.00 0.00 C ATOM 587 C GLN A 39 24.174 0.022 -0.339 1.00 0.00 C ATOM 588 O GLN A 39 24.777 0.976 0.169 1.00 0.00 O ATOM 589 CB GLN A 39 23.204 -1.927 0.939 1.00 0.00 C ATOM 590 CG GLN A 39 23.348 -3.374 1.438 1.00 0.00 C ATOM 591 CD GLN A 39 22.211 -3.831 2.347 1.00 0.00 C ATOM 592 OE1 GLN A 39 22.522 -4.728 3.253 1.00 0.00 O flip ATOM 593 NE2 GLN A 39 21.067 -3.385 2.239 1.00 0.00 N flip ATOM 0 H GLN A 39 25.458 -1.261 1.960 1.00 0.00 H new ATOM 0 HA GLN A 39 24.587 -2.028 -0.754 1.00 0.00 H new ATOM 0 HB2 GLN A 39 23.045 -1.271 1.795 1.00 0.00 H new ATOM 0 HB3 GLN A 39 22.315 -1.855 0.313 1.00 0.00 H new ATOM 0 HG2 GLN A 39 23.402 -4.041 0.578 1.00 0.00 H new ATOM 0 HG3 GLN A 39 24.291 -3.470 1.976 1.00 0.00 H new ATOM 0 HE21 GLN A 39 20.857 -2.688 1.524 1.00 0.00 H new ATOM 0 HE22 GLN A 39 20.331 -3.713 2.864 1.00 0.00 H new ATOM 602 N VAL A 40 23.296 0.132 -1.353 1.00 0.00 N ATOM 603 CA VAL A 40 22.626 1.373 -1.799 1.00 0.00 C ATOM 604 C VAL A 40 21.286 0.964 -2.439 1.00 0.00 C ATOM 605 O VAL A 40 21.212 -0.041 -3.162 1.00 0.00 O ATOM 606 CB VAL A 40 23.454 2.232 -2.849 1.00 0.00 C ATOM 607 CG1 VAL A 40 24.661 2.950 -2.205 1.00 0.00 C ATOM 608 CG2 VAL A 40 23.898 1.362 -4.052 1.00 0.00 C ATOM 0 H VAL A 40 23.020 -0.677 -1.910 1.00 0.00 H new ATOM 0 HA VAL A 40 22.508 2.011 -0.923 1.00 0.00 H new ATOM 0 HB VAL A 40 22.786 3.011 -3.217 1.00 0.00 H new ATOM 0 HG11 VAL A 40 25.192 3.522 -2.966 1.00 0.00 H new ATOM 0 HG12 VAL A 40 24.309 3.624 -1.424 1.00 0.00 H new ATOM 0 HG13 VAL A 40 25.335 2.211 -1.771 1.00 0.00 H new ATOM 0 HG21 VAL A 40 24.463 1.974 -4.755 1.00 0.00 H new ATOM 0 HG22 VAL A 40 24.526 0.544 -3.698 1.00 0.00 H new ATOM 0 HG23 VAL A 40 23.019 0.955 -4.551 1.00 0.00 H new ATOM 618 N VAL A 41 20.214 1.718 -2.157 1.00 0.00 N ATOM 619 CA VAL A 41 18.902 1.488 -2.783 1.00 0.00 C ATOM 620 C VAL A 41 18.772 2.418 -4.005 1.00 0.00 C ATOM 621 O VAL A 41 18.828 3.643 -3.872 1.00 0.00 O ATOM 622 CB VAL A 41 17.722 1.715 -1.772 1.00 0.00 C ATOM 623 CG1 VAL A 41 16.356 1.383 -2.416 1.00 0.00 C ATOM 624 CG2 VAL A 41 17.940 0.907 -0.462 1.00 0.00 C ATOM 0 H VAL A 41 20.229 2.496 -1.497 1.00 0.00 H new ATOM 0 HA VAL A 41 18.838 0.447 -3.101 1.00 0.00 H new ATOM 0 HB VAL A 41 17.712 2.773 -1.510 1.00 0.00 H new ATOM 0 HG11 VAL A 41 15.561 1.551 -1.690 1.00 0.00 H new ATOM 0 HG12 VAL A 41 16.197 2.024 -3.283 1.00 0.00 H new ATOM 0 HG13 VAL A 41 16.346 0.339 -2.730 1.00 0.00 H new ATOM 0 HG21 VAL A 41 17.107 1.085 0.218 1.00 0.00 H new ATOM 0 HG22 VAL A 41 17.997 -0.156 -0.696 1.00 0.00 H new ATOM 0 HG23 VAL A 41 18.869 1.225 0.011 1.00 0.00 H new ATOM 634 N LEU A 42 18.663 1.807 -5.192 1.00 0.00 N ATOM 635 CA LEU A 42 18.545 2.498 -6.483 1.00 0.00 C ATOM 636 C LEU A 42 17.144 2.250 -7.059 1.00 0.00 C ATOM 637 O LEU A 42 16.678 1.113 -7.052 1.00 0.00 O ATOM 638 CB LEU A 42 19.607 1.944 -7.482 1.00 0.00 C ATOM 639 CG LEU A 42 21.093 1.904 -6.991 1.00 0.00 C ATOM 640 CD1 LEU A 42 22.025 1.338 -8.089 1.00 0.00 C ATOM 641 CD2 LEU A 42 21.581 3.288 -6.509 1.00 0.00 C ATOM 0 H LEU A 42 18.654 0.791 -5.283 1.00 0.00 H new ATOM 0 HA LEU A 42 18.709 3.565 -6.335 1.00 0.00 H new ATOM 0 HB2 LEU A 42 19.315 0.931 -7.760 1.00 0.00 H new ATOM 0 HB3 LEU A 42 19.566 2.547 -8.389 1.00 0.00 H new ATOM 0 HG LEU A 42 21.130 1.233 -6.133 1.00 0.00 H new ATOM 0 HD11 LEU A 42 23.051 1.321 -7.722 1.00 0.00 H new ATOM 0 HD12 LEU A 42 21.714 0.325 -8.344 1.00 0.00 H new ATOM 0 HD13 LEU A 42 21.967 1.969 -8.976 1.00 0.00 H new ATOM 0 HD21 LEU A 42 22.617 3.213 -6.177 1.00 0.00 H new ATOM 0 HD22 LEU A 42 21.513 4.003 -7.328 1.00 0.00 H new ATOM 0 HD23 LEU A 42 20.958 3.625 -5.680 1.00 0.00 H new ATOM 653 N LEU A 43 16.479 3.297 -7.552 1.00 0.00 N ATOM 654 CA LEU A 43 15.197 3.145 -8.256 1.00 0.00 C ATOM 655 C LEU A 43 15.478 2.936 -9.749 1.00 0.00 C ATOM 656 O LEU A 43 15.747 3.903 -10.470 1.00 0.00 O ATOM 657 CB LEU A 43 14.295 4.383 -8.030 1.00 0.00 C ATOM 658 CG LEU A 43 12.885 4.345 -8.698 1.00 0.00 C ATOM 659 CD1 LEU A 43 12.096 3.091 -8.266 1.00 0.00 C ATOM 660 CD2 LEU A 43 12.094 5.642 -8.405 1.00 0.00 C ATOM 0 H LEU A 43 16.804 4.261 -7.478 1.00 0.00 H new ATOM 0 HA LEU A 43 14.664 2.280 -7.862 1.00 0.00 H new ATOM 0 HB2 LEU A 43 14.161 4.517 -6.957 1.00 0.00 H new ATOM 0 HB3 LEU A 43 14.824 5.263 -8.397 1.00 0.00 H new ATOM 0 HG LEU A 43 13.028 4.285 -9.777 1.00 0.00 H new ATOM 0 HD11 LEU A 43 11.118 3.093 -8.748 1.00 0.00 H new ATOM 0 HD12 LEU A 43 12.644 2.196 -8.561 1.00 0.00 H new ATOM 0 HD13 LEU A 43 11.967 3.097 -7.184 1.00 0.00 H new ATOM 0 HD21 LEU A 43 11.116 5.587 -8.883 1.00 0.00 H new ATOM 0 HD22 LEU A 43 11.966 5.755 -7.328 1.00 0.00 H new ATOM 0 HD23 LEU A 43 12.642 6.499 -8.797 1.00 0.00 H new ATOM 672 N ALA A 44 15.463 1.658 -10.179 1.00 0.00 N ATOM 673 CA ALA A 44 15.743 1.257 -11.576 1.00 0.00 C ATOM 674 C ALA A 44 17.142 1.745 -12.056 1.00 0.00 C ATOM 675 O ALA A 44 17.355 1.971 -13.253 1.00 0.00 O ATOM 676 CB ALA A 44 14.612 1.748 -12.508 1.00 0.00 C ATOM 0 H ALA A 44 15.256 0.870 -9.565 1.00 0.00 H new ATOM 0 HA ALA A 44 15.770 0.168 -11.615 1.00 0.00 H new ATOM 0 HB1 ALA A 44 14.829 1.447 -13.533 1.00 0.00 H new ATOM 0 HB2 ALA A 44 13.665 1.309 -12.194 1.00 0.00 H new ATOM 0 HB3 ALA A 44 14.543 2.835 -12.456 1.00 0.00 H new ATOM 682 N GLY A 45 18.090 1.880 -11.100 1.00 0.00 N ATOM 683 CA GLY A 45 19.449 2.378 -11.378 1.00 0.00 C ATOM 684 C GLY A 45 19.703 3.787 -10.843 1.00 0.00 C ATOM 685 O GLY A 45 20.856 4.137 -10.559 1.00 0.00 O ATOM 0 H GLY A 45 17.931 1.647 -10.120 1.00 0.00 H new ATOM 0 HA2 GLY A 45 20.175 1.694 -10.938 1.00 0.00 H new ATOM 0 HA3 GLY A 45 19.617 2.371 -12.455 1.00 0.00 H new ATOM 689 N ALA A 46 18.624 4.581 -10.683 1.00 0.00 N ATOM 690 CA ALA A 46 18.706 5.985 -10.219 1.00 0.00 C ATOM 691 C ALA A 46 19.060 6.049 -8.710 1.00 0.00 C ATOM 692 O ALA A 46 18.289 5.537 -7.893 1.00 0.00 O ATOM 693 CB ALA A 46 17.373 6.713 -10.497 1.00 0.00 C ATOM 0 H ALA A 46 17.671 4.269 -10.871 1.00 0.00 H new ATOM 0 HA ALA A 46 19.501 6.486 -10.771 1.00 0.00 H new ATOM 0 HB1 ALA A 46 17.443 7.745 -10.152 1.00 0.00 H new ATOM 0 HB2 ALA A 46 17.168 6.701 -11.568 1.00 0.00 H new ATOM 0 HB3 ALA A 46 16.565 6.208 -9.968 1.00 0.00 H new ATOM 699 N PRO A 47 20.238 6.657 -8.320 1.00 0.00 N ATOM 700 CA PRO A 47 20.665 6.782 -6.891 1.00 0.00 C ATOM 701 C PRO A 47 19.646 7.545 -6.019 1.00 0.00 C ATOM 702 O PRO A 47 19.394 8.728 -6.252 1.00 0.00 O ATOM 703 CB PRO A 47 22.015 7.551 -6.981 1.00 0.00 C ATOM 704 CG PRO A 47 22.503 7.286 -8.373 1.00 0.00 C ATOM 705 CD PRO A 47 21.259 7.246 -9.232 1.00 0.00 C ATOM 0 HA PRO A 47 20.749 5.808 -6.409 1.00 0.00 H new ATOM 0 HB2 PRO A 47 21.877 8.618 -6.805 1.00 0.00 H new ATOM 0 HB3 PRO A 47 22.726 7.194 -6.236 1.00 0.00 H new ATOM 0 HG2 PRO A 47 23.186 8.068 -8.706 1.00 0.00 H new ATOM 0 HG3 PRO A 47 23.048 6.343 -8.426 1.00 0.00 H new ATOM 0 HD2 PRO A 47 20.971 8.241 -9.571 1.00 0.00 H new ATOM 0 HD3 PRO A 47 21.404 6.635 -10.123 1.00 0.00 H new ATOM 713 N LEU A 48 19.053 6.847 -5.032 1.00 0.00 N ATOM 714 CA LEU A 48 18.065 7.435 -4.109 1.00 0.00 C ATOM 715 C LEU A 48 18.751 7.999 -2.861 1.00 0.00 C ATOM 716 O LEU A 48 19.734 7.428 -2.369 1.00 0.00 O ATOM 717 CB LEU A 48 17.013 6.374 -3.698 1.00 0.00 C ATOM 718 CG LEU A 48 16.168 5.765 -4.857 1.00 0.00 C ATOM 719 CD1 LEU A 48 15.140 4.740 -4.315 1.00 0.00 C ATOM 720 CD2 LEU A 48 15.486 6.878 -5.696 1.00 0.00 C ATOM 0 H LEU A 48 19.245 5.861 -4.853 1.00 0.00 H new ATOM 0 HA LEU A 48 17.563 8.252 -4.628 1.00 0.00 H new ATOM 0 HB2 LEU A 48 17.527 5.562 -3.184 1.00 0.00 H new ATOM 0 HB3 LEU A 48 16.332 6.827 -2.977 1.00 0.00 H new ATOM 0 HG LEU A 48 16.843 5.227 -5.523 1.00 0.00 H new ATOM 0 HD11 LEU A 48 14.563 4.330 -5.144 1.00 0.00 H new ATOM 0 HD12 LEU A 48 15.665 3.933 -3.804 1.00 0.00 H new ATOM 0 HD13 LEU A 48 14.467 5.235 -3.615 1.00 0.00 H new ATOM 0 HD21 LEU A 48 14.903 6.424 -6.497 1.00 0.00 H new ATOM 0 HD22 LEU A 48 14.827 7.464 -5.056 1.00 0.00 H new ATOM 0 HD23 LEU A 48 16.248 7.529 -6.125 1.00 0.00 H new ATOM 732 N GLU A 49 18.218 9.129 -2.358 1.00 0.00 N ATOM 733 CA GLU A 49 18.714 9.782 -1.139 1.00 0.00 C ATOM 734 C GLU A 49 18.184 9.018 0.079 1.00 0.00 C ATOM 735 O GLU A 49 16.995 8.690 0.122 1.00 0.00 O ATOM 736 CB GLU A 49 18.267 11.274 -1.087 1.00 0.00 C ATOM 737 CG GLU A 49 18.508 12.072 -2.388 1.00 0.00 C ATOM 738 CD GLU A 49 19.953 11.983 -2.922 1.00 0.00 C ATOM 739 OE1 GLU A 49 20.839 12.686 -2.394 1.00 0.00 O ATOM 740 OE2 GLU A 49 20.205 11.205 -3.873 1.00 0.00 O ATOM 0 H GLU A 49 17.430 9.613 -2.789 1.00 0.00 H new ATOM 0 HA GLU A 49 19.804 9.766 -1.137 1.00 0.00 H new ATOM 0 HB2 GLU A 49 17.204 11.311 -0.847 1.00 0.00 H new ATOM 0 HB3 GLU A 49 18.796 11.768 -0.272 1.00 0.00 H new ATOM 0 HG2 GLU A 49 17.825 11.709 -3.156 1.00 0.00 H new ATOM 0 HG3 GLU A 49 18.261 13.119 -2.211 1.00 0.00 H new ATOM 747 N ASP A 50 19.064 8.754 1.059 1.00 0.00 N ATOM 748 CA ASP A 50 18.749 7.943 2.260 1.00 0.00 C ATOM 749 C ASP A 50 17.545 8.511 3.048 1.00 0.00 C ATOM 750 O ASP A 50 16.670 7.767 3.485 1.00 0.00 O ATOM 751 CB ASP A 50 20.000 7.842 3.175 1.00 0.00 C ATOM 752 CG ASP A 50 20.459 9.207 3.729 1.00 0.00 C ATOM 753 OD1 ASP A 50 20.886 10.064 2.932 1.00 0.00 O ATOM 754 OD2 ASP A 50 20.345 9.444 4.945 1.00 0.00 O ATOM 0 H ASP A 50 20.024 9.098 1.045 1.00 0.00 H new ATOM 0 HA ASP A 50 18.468 6.946 1.921 1.00 0.00 H new ATOM 0 HB2 ASP A 50 19.780 7.174 4.008 1.00 0.00 H new ATOM 0 HB3 ASP A 50 20.818 7.392 2.613 1.00 0.00 H new ATOM 759 N GLU A 51 17.499 9.839 3.171 1.00 0.00 N ATOM 760 CA GLU A 51 16.474 10.535 3.964 1.00 0.00 C ATOM 761 C GLU A 51 15.162 10.711 3.171 1.00 0.00 C ATOM 762 O GLU A 51 14.125 11.025 3.757 1.00 0.00 O ATOM 763 CB GLU A 51 17.030 11.900 4.422 1.00 0.00 C ATOM 764 CG GLU A 51 17.389 12.864 3.271 1.00 0.00 C ATOM 765 CD GLU A 51 17.995 14.180 3.772 1.00 0.00 C ATOM 766 OE1 GLU A 51 17.253 15.002 4.343 1.00 0.00 O ATOM 767 OE2 GLU A 51 19.220 14.388 3.625 1.00 0.00 O ATOM 0 H GLU A 51 18.169 10.465 2.725 1.00 0.00 H new ATOM 0 HA GLU A 51 16.235 9.928 4.837 1.00 0.00 H new ATOM 0 HB2 GLU A 51 16.293 12.381 5.065 1.00 0.00 H new ATOM 0 HB3 GLU A 51 17.920 11.731 5.028 1.00 0.00 H new ATOM 0 HG2 GLU A 51 18.095 12.375 2.600 1.00 0.00 H new ATOM 0 HG3 GLU A 51 16.493 13.079 2.689 1.00 0.00 H new ATOM 774 N ALA A 52 15.218 10.514 1.837 1.00 0.00 N ATOM 775 CA ALA A 52 14.038 10.622 0.965 1.00 0.00 C ATOM 776 C ALA A 52 13.119 9.404 1.175 1.00 0.00 C ATOM 777 O ALA A 52 13.593 8.263 1.214 1.00 0.00 O ATOM 778 CB ALA A 52 14.459 10.753 -0.510 1.00 0.00 C ATOM 0 H ALA A 52 16.077 10.278 1.341 1.00 0.00 H new ATOM 0 HA ALA A 52 13.484 11.523 1.230 1.00 0.00 H new ATOM 0 HB1 ALA A 52 13.570 10.831 -1.136 1.00 0.00 H new ATOM 0 HB2 ALA A 52 15.072 11.646 -0.636 1.00 0.00 H new ATOM 0 HB3 ALA A 52 15.034 9.875 -0.804 1.00 0.00 H new ATOM 784 N THR A 53 11.815 9.666 1.340 1.00 0.00 N ATOM 785 CA THR A 53 10.799 8.617 1.525 1.00 0.00 C ATOM 786 C THR A 53 10.342 8.072 0.163 1.00 0.00 C ATOM 787 O THR A 53 10.638 8.685 -0.871 1.00 0.00 O ATOM 788 CB THR A 53 9.584 9.175 2.339 1.00 0.00 C ATOM 789 OG1 THR A 53 8.902 10.199 1.600 1.00 0.00 O ATOM 790 CG2 THR A 53 10.026 9.739 3.704 1.00 0.00 C ATOM 0 H THR A 53 11.433 10.612 1.349 1.00 0.00 H new ATOM 0 HA THR A 53 11.240 7.796 2.091 1.00 0.00 H new ATOM 0 HB THR A 53 8.905 8.340 2.512 1.00 0.00 H new ATOM 0 HG1 THR A 53 8.145 10.533 2.126 1.00 0.00 H new ATOM 0 HG21 THR A 53 9.156 10.117 4.240 1.00 0.00 H new ATOM 0 HG22 THR A 53 10.498 8.949 4.289 1.00 0.00 H new ATOM 0 HG23 THR A 53 10.738 10.550 3.549 1.00 0.00 H new ATOM 798 N LEU A 54 9.623 6.925 0.165 1.00 0.00 N ATOM 799 CA LEU A 54 9.057 6.339 -1.072 1.00 0.00 C ATOM 800 C LEU A 54 8.030 7.321 -1.698 1.00 0.00 C ATOM 801 O LEU A 54 7.983 7.500 -2.924 1.00 0.00 O ATOM 802 CB LEU A 54 8.391 4.944 -0.821 1.00 0.00 C ATOM 803 CG LEU A 54 9.325 3.727 -0.440 1.00 0.00 C ATOM 804 CD1 LEU A 54 10.547 3.609 -1.379 1.00 0.00 C ATOM 805 CD2 LEU A 54 9.754 3.746 1.041 1.00 0.00 C ATOM 0 H LEU A 54 9.422 6.388 1.008 1.00 0.00 H new ATOM 0 HA LEU A 54 9.882 6.178 -1.766 1.00 0.00 H new ATOM 0 HB2 LEU A 54 7.658 5.064 -0.023 1.00 0.00 H new ATOM 0 HB3 LEU A 54 7.840 4.672 -1.721 1.00 0.00 H new ATOM 0 HG LEU A 54 8.719 2.832 -0.582 1.00 0.00 H new ATOM 0 HD11 LEU A 54 11.158 2.758 -1.076 1.00 0.00 H new ATOM 0 HD12 LEU A 54 10.206 3.464 -2.404 1.00 0.00 H new ATOM 0 HD13 LEU A 54 11.141 4.521 -1.320 1.00 0.00 H new ATOM 0 HD21 LEU A 54 10.394 2.887 1.246 1.00 0.00 H new ATOM 0 HD22 LEU A 54 10.302 4.665 1.249 1.00 0.00 H new ATOM 0 HD23 LEU A 54 8.870 3.699 1.677 1.00 0.00 H new ATOM 817 N GLY A 55 7.253 7.983 -0.812 1.00 0.00 N ATOM 818 CA GLY A 55 6.256 8.980 -1.213 1.00 0.00 C ATOM 819 C GLY A 55 6.884 10.261 -1.770 1.00 0.00 C ATOM 820 O GLY A 55 6.336 10.871 -2.697 1.00 0.00 O ATOM 0 H GLY A 55 7.305 7.836 0.196 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.599 8.546 -1.967 1.00 0.00 H new ATOM 0 HA3 GLY A 55 5.634 9.230 -0.354 1.00 0.00 H new ATOM 824 N GLN A 56 8.053 10.652 -1.213 1.00 0.00 N ATOM 825 CA GLN A 56 8.822 11.837 -1.670 1.00 0.00 C ATOM 826 C GLN A 56 9.458 11.573 -3.045 1.00 0.00 C ATOM 827 O GLN A 56 9.418 12.431 -3.937 1.00 0.00 O ATOM 828 CB GLN A 56 9.917 12.217 -0.630 1.00 0.00 C ATOM 829 CG GLN A 56 10.794 13.438 -1.010 1.00 0.00 C ATOM 830 CD GLN A 56 9.997 14.741 -1.208 1.00 0.00 C ATOM 831 OE1 GLN A 56 8.968 14.966 -0.575 1.00 0.00 O ATOM 832 NE2 GLN A 56 10.460 15.604 -2.094 1.00 0.00 N ATOM 0 H GLN A 56 8.491 10.158 -0.436 1.00 0.00 H new ATOM 0 HA GLN A 56 8.131 12.675 -1.764 1.00 0.00 H new ATOM 0 HB2 GLN A 56 9.433 12.421 0.325 1.00 0.00 H new ATOM 0 HB3 GLN A 56 10.568 11.355 -0.480 1.00 0.00 H new ATOM 0 HG2 GLN A 56 11.539 13.594 -0.230 1.00 0.00 H new ATOM 0 HG3 GLN A 56 11.336 13.212 -1.928 1.00 0.00 H new ATOM 0 HE21 GLN A 56 11.316 15.397 -2.608 1.00 0.00 H new ATOM 0 HE22 GLN A 56 9.961 16.477 -2.264 1.00 0.00 H new ATOM 841 N CYS A 57 10.014 10.360 -3.199 1.00 0.00 N ATOM 842 CA CYS A 57 10.641 9.902 -4.449 1.00 0.00 C ATOM 843 C CYS A 57 9.583 9.680 -5.555 1.00 0.00 C ATOM 844 O CYS A 57 9.914 9.628 -6.743 1.00 0.00 O ATOM 845 CB CYS A 57 11.435 8.606 -4.185 1.00 0.00 C ATOM 846 SG CYS A 57 12.250 7.926 -5.647 1.00 0.00 S ATOM 0 H CYS A 57 10.041 9.665 -2.453 1.00 0.00 H new ATOM 0 HA CYS A 57 11.325 10.675 -4.800 1.00 0.00 H new ATOM 0 HB2 CYS A 57 12.188 8.804 -3.422 1.00 0.00 H new ATOM 0 HB3 CYS A 57 10.758 7.855 -3.778 1.00 0.00 H new ATOM 0 HG CYS A 57 11.635 8.335 -6.717 1.00 0.00 H new ATOM 852 N GLY A 58 8.309 9.545 -5.127 1.00 0.00 N ATOM 853 CA GLY A 58 7.173 9.357 -6.033 1.00 0.00 C ATOM 854 C GLY A 58 7.106 7.953 -6.610 1.00 0.00 C ATOM 855 O GLY A 58 6.435 7.719 -7.624 1.00 0.00 O ATOM 0 H GLY A 58 8.047 9.564 -4.141 1.00 0.00 H new ATOM 0 HA2 GLY A 58 6.248 9.569 -5.497 1.00 0.00 H new ATOM 0 HA3 GLY A 58 7.241 10.077 -6.848 1.00 0.00 H new ATOM 859 N VAL A 59 7.817 7.018 -5.958 1.00 0.00 N ATOM 860 CA VAL A 59 7.829 5.605 -6.338 1.00 0.00 C ATOM 861 C VAL A 59 6.636 4.911 -5.671 1.00 0.00 C ATOM 862 O VAL A 59 6.515 4.902 -4.447 1.00 0.00 O ATOM 863 CB VAL A 59 9.194 4.886 -5.990 1.00 0.00 C ATOM 864 CG1 VAL A 59 9.691 5.194 -4.564 1.00 0.00 C ATOM 865 CG2 VAL A 59 9.089 3.361 -6.214 1.00 0.00 C ATOM 0 H VAL A 59 8.401 7.228 -5.149 1.00 0.00 H new ATOM 0 HA VAL A 59 7.738 5.536 -7.422 1.00 0.00 H new ATOM 0 HB VAL A 59 9.938 5.293 -6.675 1.00 0.00 H new ATOM 0 HG11 VAL A 59 10.631 4.672 -4.386 1.00 0.00 H new ATOM 0 HG12 VAL A 59 9.846 6.268 -4.457 1.00 0.00 H new ATOM 0 HG13 VAL A 59 8.948 4.861 -3.840 1.00 0.00 H new ATOM 0 HG21 VAL A 59 10.041 2.891 -5.967 1.00 0.00 H new ATOM 0 HG22 VAL A 59 8.306 2.952 -5.575 1.00 0.00 H new ATOM 0 HG23 VAL A 59 8.846 3.162 -7.258 1.00 0.00 H new ATOM 875 N GLU A 60 5.744 4.378 -6.505 1.00 0.00 N ATOM 876 CA GLU A 60 4.485 3.755 -6.082 1.00 0.00 C ATOM 877 C GLU A 60 4.635 2.220 -6.018 1.00 0.00 C ATOM 878 O GLU A 60 5.753 1.686 -6.043 1.00 0.00 O ATOM 879 CB GLU A 60 3.378 4.179 -7.088 1.00 0.00 C ATOM 880 CG GLU A 60 3.135 5.702 -7.172 1.00 0.00 C ATOM 881 CD GLU A 60 2.048 6.078 -8.192 1.00 0.00 C ATOM 882 OE1 GLU A 60 0.847 5.933 -7.877 1.00 0.00 O ATOM 883 OE2 GLU A 60 2.387 6.472 -9.327 1.00 0.00 O ATOM 0 H GLU A 60 5.877 4.366 -7.516 1.00 0.00 H new ATOM 0 HA GLU A 60 4.212 4.088 -5.080 1.00 0.00 H new ATOM 0 HB2 GLU A 60 3.646 3.812 -8.079 1.00 0.00 H new ATOM 0 HB3 GLU A 60 2.445 3.690 -6.808 1.00 0.00 H new ATOM 0 HG2 GLU A 60 2.848 6.074 -6.189 1.00 0.00 H new ATOM 0 HG3 GLU A 60 4.067 6.199 -7.441 1.00 0.00 H new ATOM 890 N ALA A 61 3.492 1.516 -5.913 1.00 0.00 N ATOM 891 CA ALA A 61 3.448 0.046 -5.928 1.00 0.00 C ATOM 892 C ALA A 61 3.771 -0.509 -7.332 1.00 0.00 C ATOM 893 O ALA A 61 3.768 0.229 -8.324 1.00 0.00 O ATOM 894 CB ALA A 61 2.074 -0.446 -5.446 1.00 0.00 C ATOM 0 H ALA A 61 2.575 1.952 -5.816 1.00 0.00 H new ATOM 0 HA ALA A 61 4.211 -0.327 -5.245 1.00 0.00 H new ATOM 0 HB1 ALA A 61 2.052 -1.536 -5.461 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.897 -0.093 -4.430 1.00 0.00 H new ATOM 0 HB3 ALA A 61 1.297 -0.058 -6.105 1.00 0.00 H new ATOM 900 N LEU A 62 4.089 -1.818 -7.362 1.00 0.00 N ATOM 901 CA LEU A 62 4.400 -2.613 -8.585 1.00 0.00 C ATOM 902 C LEU A 62 5.773 -2.256 -9.197 1.00 0.00 C ATOM 903 O LEU A 62 6.203 -2.899 -10.161 1.00 0.00 O ATOM 904 CB LEU A 62 3.256 -2.540 -9.660 1.00 0.00 C ATOM 905 CG LEU A 62 2.024 -3.485 -9.446 1.00 0.00 C ATOM 906 CD1 LEU A 62 2.460 -4.968 -9.488 1.00 0.00 C ATOM 907 CD2 LEU A 62 1.250 -3.154 -8.142 1.00 0.00 C ATOM 0 H LEU A 62 4.140 -2.378 -6.511 1.00 0.00 H new ATOM 0 HA LEU A 62 4.461 -3.649 -8.252 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.893 -1.513 -9.701 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.691 -2.764 -10.634 1.00 0.00 H new ATOM 0 HG LEU A 62 1.331 -3.311 -10.269 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.590 -5.607 -9.337 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.909 -5.188 -10.457 1.00 0.00 H new ATOM 0 HD13 LEU A 62 3.189 -5.155 -8.700 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.405 -3.835 -8.037 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.915 -3.266 -7.286 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.885 -2.128 -8.186 1.00 0.00 H new ATOM 919 N THR A 63 6.467 -1.269 -8.612 1.00 0.00 N ATOM 920 CA THR A 63 7.769 -0.797 -9.094 1.00 0.00 C ATOM 921 C THR A 63 8.888 -1.701 -8.531 1.00 0.00 C ATOM 922 O THR A 63 8.670 -2.406 -7.554 1.00 0.00 O ATOM 923 CB THR A 63 7.970 0.692 -8.659 1.00 0.00 C ATOM 924 OG1 THR A 63 6.783 1.450 -8.971 1.00 0.00 O ATOM 925 CG2 THR A 63 9.170 1.350 -9.356 1.00 0.00 C ATOM 0 H THR A 63 6.136 -0.773 -7.784 1.00 0.00 H new ATOM 0 HA THR A 63 7.808 -0.847 -10.182 1.00 0.00 H new ATOM 0 HB THR A 63 8.162 0.690 -7.586 1.00 0.00 H new ATOM 0 HG1 THR A 63 6.280 1.624 -8.148 1.00 0.00 H new ATOM 0 HG21 THR A 63 9.265 2.382 -9.019 1.00 0.00 H new ATOM 0 HG22 THR A 63 10.079 0.802 -9.109 1.00 0.00 H new ATOM 0 HG23 THR A 63 9.018 1.333 -10.435 1.00 0.00 H new ATOM 933 N THR A 64 10.071 -1.691 -9.160 1.00 0.00 N ATOM 934 CA THR A 64 11.221 -2.503 -8.726 1.00 0.00 C ATOM 935 C THR A 64 12.419 -1.604 -8.379 1.00 0.00 C ATOM 936 O THR A 64 12.974 -0.912 -9.247 1.00 0.00 O ATOM 937 CB THR A 64 11.618 -3.546 -9.819 1.00 0.00 C ATOM 938 OG1 THR A 64 10.457 -4.316 -10.166 1.00 0.00 O ATOM 939 CG2 THR A 64 12.738 -4.504 -9.347 1.00 0.00 C ATOM 0 H THR A 64 10.260 -1.121 -9.984 1.00 0.00 H new ATOM 0 HA THR A 64 10.926 -3.049 -7.830 1.00 0.00 H new ATOM 0 HB THR A 64 12.000 -2.996 -10.679 1.00 0.00 H new ATOM 0 HG1 THR A 64 10.694 -4.974 -10.853 1.00 0.00 H new ATOM 0 HG21 THR A 64 12.975 -5.208 -10.145 1.00 0.00 H new ATOM 0 HG22 THR A 64 13.628 -3.927 -9.096 1.00 0.00 H new ATOM 0 HG23 THR A 64 12.401 -5.053 -8.468 1.00 0.00 H new ATOM 947 N LEU A 65 12.773 -1.593 -7.085 1.00 0.00 N ATOM 948 CA LEU A 65 13.996 -0.969 -6.569 1.00 0.00 C ATOM 949 C LEU A 65 15.071 -2.058 -6.478 1.00 0.00 C ATOM 950 O LEU A 65 14.746 -3.245 -6.462 1.00 0.00 O ATOM 951 CB LEU A 65 13.749 -0.315 -5.168 1.00 0.00 C ATOM 952 CG LEU A 65 12.750 0.902 -5.116 1.00 0.00 C ATOM 953 CD1 LEU A 65 11.291 0.485 -5.414 1.00 0.00 C ATOM 954 CD2 LEU A 65 12.841 1.645 -3.760 1.00 0.00 C ATOM 0 H LEU A 65 12.205 -2.026 -6.356 1.00 0.00 H new ATOM 0 HA LEU A 65 14.318 -0.171 -7.238 1.00 0.00 H new ATOM 0 HB2 LEU A 65 13.379 -1.087 -4.494 1.00 0.00 H new ATOM 0 HB3 LEU A 65 14.710 0.018 -4.775 1.00 0.00 H new ATOM 0 HG LEU A 65 13.055 1.587 -5.907 1.00 0.00 H new ATOM 0 HD11 LEU A 65 10.645 1.361 -5.365 1.00 0.00 H new ATOM 0 HD12 LEU A 65 11.234 0.047 -6.411 1.00 0.00 H new ATOM 0 HD13 LEU A 65 10.964 -0.248 -4.677 1.00 0.00 H new ATOM 0 HD21 LEU A 65 12.140 2.480 -3.755 1.00 0.00 H new ATOM 0 HD22 LEU A 65 12.593 0.958 -2.951 1.00 0.00 H new ATOM 0 HD23 LEU A 65 13.854 2.021 -3.619 1.00 0.00 H new ATOM 966 N GLU A 66 16.342 -1.663 -6.406 1.00 0.00 N ATOM 967 CA GLU A 66 17.468 -2.601 -6.371 1.00 0.00 C ATOM 968 C GLU A 66 18.413 -2.241 -5.219 1.00 0.00 C ATOM 969 O GLU A 66 18.787 -1.081 -5.062 1.00 0.00 O ATOM 970 CB GLU A 66 18.243 -2.585 -7.719 1.00 0.00 C ATOM 971 CG GLU A 66 19.412 -3.589 -7.767 1.00 0.00 C ATOM 972 CD GLU A 66 20.233 -3.528 -9.058 1.00 0.00 C ATOM 973 OE1 GLU A 66 21.202 -2.746 -9.120 1.00 0.00 O ATOM 974 OE2 GLU A 66 19.923 -4.268 -10.012 1.00 0.00 O ATOM 0 H GLU A 66 16.622 -0.683 -6.370 1.00 0.00 H new ATOM 0 HA GLU A 66 17.075 -3.605 -6.213 1.00 0.00 H new ATOM 0 HB2 GLU A 66 17.550 -2.807 -8.530 1.00 0.00 H new ATOM 0 HB3 GLU A 66 18.629 -1.581 -7.895 1.00 0.00 H new ATOM 0 HG2 GLU A 66 20.072 -3.403 -6.920 1.00 0.00 H new ATOM 0 HG3 GLU A 66 19.016 -4.598 -7.648 1.00 0.00 H new ATOM 981 N VAL A 67 18.772 -3.240 -4.411 1.00 0.00 N ATOM 982 CA VAL A 67 19.806 -3.108 -3.387 1.00 0.00 C ATOM 983 C VAL A 67 21.143 -3.530 -4.014 1.00 0.00 C ATOM 984 O VAL A 67 21.465 -4.722 -4.099 1.00 0.00 O ATOM 985 CB VAL A 67 19.461 -3.948 -2.102 1.00 0.00 C ATOM 986 CG1 VAL A 67 20.596 -3.893 -1.054 1.00 0.00 C ATOM 987 CG2 VAL A 67 18.126 -3.464 -1.490 1.00 0.00 C ATOM 0 H VAL A 67 18.350 -4.168 -4.450 1.00 0.00 H new ATOM 0 HA VAL A 67 19.871 -2.073 -3.050 1.00 0.00 H new ATOM 0 HB VAL A 67 19.355 -4.989 -2.405 1.00 0.00 H new ATOM 0 HG11 VAL A 67 20.316 -4.486 -0.183 1.00 0.00 H new ATOM 0 HG12 VAL A 67 21.512 -4.295 -1.488 1.00 0.00 H new ATOM 0 HG13 VAL A 67 20.761 -2.859 -0.751 1.00 0.00 H new ATOM 0 HG21 VAL A 67 17.898 -4.053 -0.602 1.00 0.00 H new ATOM 0 HG22 VAL A 67 18.211 -2.412 -1.216 1.00 0.00 H new ATOM 0 HG23 VAL A 67 17.326 -3.585 -2.220 1.00 0.00 H new ATOM 997 N ALA A 68 21.866 -2.527 -4.530 1.00 0.00 N ATOM 998 CA ALA A 68 23.154 -2.701 -5.216 1.00 0.00 C ATOM 999 C ALA A 68 24.310 -2.354 -4.266 1.00 0.00 C ATOM 1000 O ALA A 68 24.087 -2.028 -3.096 1.00 0.00 O ATOM 1001 CB ALA A 68 23.185 -1.813 -6.473 1.00 0.00 C ATOM 0 H ALA A 68 21.566 -1.553 -4.481 1.00 0.00 H new ATOM 0 HA ALA A 68 23.271 -3.741 -5.519 1.00 0.00 H new ATOM 0 HB1 ALA A 68 24.139 -1.940 -6.984 1.00 0.00 H new ATOM 0 HB2 ALA A 68 22.374 -2.101 -7.142 1.00 0.00 H new ATOM 0 HB3 ALA A 68 23.064 -0.769 -6.184 1.00 0.00 H new ATOM 1007 N GLY A 69 25.542 -2.401 -4.793 1.00 0.00 N ATOM 1008 CA GLY A 69 26.741 -2.062 -4.033 1.00 0.00 C ATOM 1009 C GLY A 69 27.523 -0.955 -4.712 1.00 0.00 C ATOM 1010 O GLY A 69 28.333 -1.223 -5.606 1.00 0.00 O ATOM 0 H GLY A 69 25.729 -2.675 -5.757 1.00 0.00 H new ATOM 0 HA2 GLY A 69 26.461 -1.749 -3.027 1.00 0.00 H new ATOM 0 HA3 GLY A 69 27.371 -2.945 -3.929 1.00 0.00 H new ATOM 1014 N ARG A 70 27.234 0.302 -4.335 1.00 0.00 N ATOM 1015 CA ARG A 70 28.029 1.477 -4.764 1.00 0.00 C ATOM 1016 C ARG A 70 28.851 1.980 -3.574 1.00 0.00 C ATOM 1017 O ARG A 70 30.063 2.202 -3.689 1.00 0.00 O ATOM 1018 CB ARG A 70 27.125 2.613 -5.318 1.00 0.00 C ATOM 1019 CG ARG A 70 26.389 2.283 -6.639 1.00 0.00 C ATOM 1020 CD ARG A 70 27.354 1.950 -7.794 1.00 0.00 C ATOM 1021 NE ARG A 70 28.337 3.028 -8.030 1.00 0.00 N ATOM 1022 CZ ARG A 70 28.861 3.363 -9.217 1.00 0.00 C ATOM 1023 NH1 ARG A 70 28.449 2.784 -10.340 1.00 0.00 N ATOM 1024 NH2 ARG A 70 29.785 4.305 -9.274 1.00 0.00 N ATOM 0 H ARG A 70 26.449 0.537 -3.728 1.00 0.00 H new ATOM 0 HA ARG A 70 28.692 1.173 -5.574 1.00 0.00 H new ATOM 0 HB2 ARG A 70 26.383 2.867 -4.561 1.00 0.00 H new ATOM 0 HB3 ARG A 70 27.738 3.500 -5.474 1.00 0.00 H new ATOM 0 HG2 ARG A 70 25.720 1.438 -6.476 1.00 0.00 H new ATOM 0 HG3 ARG A 70 25.767 3.131 -6.925 1.00 0.00 H new ATOM 0 HD2 ARG A 70 27.881 1.023 -7.569 1.00 0.00 H new ATOM 0 HD3 ARG A 70 26.781 1.777 -8.705 1.00 0.00 H new ATOM 0 HE ARG A 70 28.643 3.564 -7.218 1.00 0.00 H new ATOM 0 HH11 ARG A 70 27.721 2.070 -10.308 1.00 0.00 H new ATOM 0 HH12 ARG A 70 28.861 3.053 -11.233 1.00 0.00 H new ATOM 0 HH21 ARG A 70 30.093 4.770 -8.420 1.00 0.00 H new ATOM 0 HH22 ARG A 70 30.191 4.568 -10.172 1.00 0.00 H new ATOM 1038 N MET A 71 28.167 2.151 -2.429 1.00 0.00 N ATOM 1039 CA MET A 71 28.810 2.514 -1.160 1.00 0.00 C ATOM 1040 C MET A 71 29.564 1.285 -0.622 1.00 0.00 C ATOM 1041 O MET A 71 28.950 0.342 -0.135 1.00 0.00 O ATOM 1042 CB MET A 71 27.744 3.012 -0.144 1.00 0.00 C ATOM 1043 CG MET A 71 28.293 3.484 1.212 1.00 0.00 C ATOM 1044 SD MET A 71 26.994 4.139 2.289 1.00 0.00 S ATOM 1045 CE MET A 71 26.434 5.585 1.383 1.00 0.00 C ATOM 0 H MET A 71 27.155 2.041 -2.360 1.00 0.00 H new ATOM 0 HA MET A 71 29.520 3.327 -1.315 1.00 0.00 H new ATOM 0 HB2 MET A 71 27.190 3.834 -0.598 1.00 0.00 H new ATOM 0 HB3 MET A 71 27.031 2.206 0.033 1.00 0.00 H new ATOM 0 HG2 MET A 71 28.789 2.651 1.710 1.00 0.00 H new ATOM 0 HG3 MET A 71 29.048 4.253 1.048 1.00 0.00 H new ATOM 0 HE1 MET A 71 25.885 6.245 2.055 1.00 0.00 H new ATOM 0 HE2 MET A 71 27.295 6.116 0.977 1.00 0.00 H new ATOM 0 HE3 MET A 71 25.782 5.273 0.567 1.00 0.00 H new