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 Set 1.1: A 25 LYS NZ :NH3+ -176:sc= 0.491 (180deg=0.472) USER MOD Set 1.2: A 71 MET CE :methyl -125:sc= -0.865 (180deg=-2.08) USER MOD Single : A 1 MET CE :methyl 164:sc= -0.148 (180deg=-0.761) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 8 GLN : amide:sc= -0.257 X(o=-0.26,f=-0.53) USER MOD Single : A 11 HIS : no HE2:sc= -0.0266 K(o=-0.027,f=-1.1) 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=-0.36) USER MOD Single : A 20 THR OG1 : rot -170:sc= -0.403 USER MOD Single : A 23 GLN : amide:sc= -0.11 K(o=-0.11,f=-2.9!) USER MOD Single : A 27 HIS : no HE2:sc= -0.0713 K(o=-0.071,f=-1.3) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -1.91! C(o=-1.9!,f=-2.9!) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.379 USER MOD Single : A 56 GLN : amide:sc= -0.0587 X(o=-0.059,f=-0.34) USER MOD Single : A 57 CYS SG : rot -21:sc= -0.0203 USER MOD Single : A 63 THR OG1 : rot 101:sc= 0.177 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.388 -0.444 -0.950 1.00 0.00 N ATOM 2 CA MET A 1 1.686 0.017 -1.497 1.00 0.00 C ATOM 3 C MET A 1 2.722 -1.092 -1.264 1.00 0.00 C ATOM 4 O MET A 1 3.405 -1.118 -0.235 1.00 0.00 O ATOM 5 CB MET A 1 2.095 1.353 -0.808 1.00 0.00 C ATOM 6 CG MET A 1 3.159 2.197 -1.528 1.00 0.00 C ATOM 7 SD MET A 1 4.766 1.396 -1.688 1.00 0.00 S ATOM 8 CE MET A 1 5.770 2.774 -2.247 1.00 0.00 C ATOM 0 H1 MET A 1 -0.332 0.292 -1.096 1.00 0.00 H new ATOM 0 H2 MET A 1 0.096 -1.315 -1.437 1.00 0.00 H new ATOM 0 H3 MET A 1 0.488 -0.633 0.068 1.00 0.00 H new ATOM 0 HA MET A 1 1.618 0.212 -2.567 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.200 1.963 -0.687 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.461 1.123 0.193 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.792 2.449 -2.523 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.287 3.135 -0.988 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.825 2.530 -2.123 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.565 2.970 -3.299 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.531 3.660 -1.659 1.00 0.00 H new ATOM 18 N GLN A 2 2.773 -2.050 -2.201 1.00 0.00 N ATOM 19 CA GLN A 2 3.640 -3.243 -2.114 1.00 0.00 C ATOM 20 C GLN A 2 4.563 -3.290 -3.333 1.00 0.00 C ATOM 21 O GLN A 2 4.087 -3.467 -4.453 1.00 0.00 O ATOM 22 CB GLN A 2 2.769 -4.534 -2.044 1.00 0.00 C ATOM 23 CG GLN A 2 3.573 -5.855 -2.001 1.00 0.00 C ATOM 24 CD GLN A 2 2.705 -7.118 -1.983 1.00 0.00 C ATOM 25 OE1 GLN A 2 1.592 -7.145 -2.513 1.00 0.00 O ATOM 26 NE2 GLN A 2 3.218 -8.187 -1.395 1.00 0.00 N ATOM 0 H GLN A 2 2.209 -2.022 -3.051 1.00 0.00 H new ATOM 0 HA GLN A 2 4.245 -3.186 -1.209 1.00 0.00 H new ATOM 0 HB2 GLN A 2 2.136 -4.481 -1.158 1.00 0.00 H new ATOM 0 HB3 GLN A 2 2.106 -4.556 -2.909 1.00 0.00 H new ATOM 0 HG2 GLN A 2 4.233 -5.894 -2.867 1.00 0.00 H new ATOM 0 HG3 GLN A 2 4.209 -5.852 -1.116 1.00 0.00 H new ATOM 0 HE21 GLN A 2 4.141 -8.138 -0.964 1.00 0.00 H new ATOM 0 HE22 GLN A 2 2.690 -9.060 -1.373 1.00 0.00 H new ATOM 35 N LEU A 3 5.880 -3.144 -3.110 1.00 0.00 N ATOM 36 CA LEU A 3 6.880 -3.139 -4.192 1.00 0.00 C ATOM 37 C LEU A 3 7.918 -4.265 -4.012 1.00 0.00 C ATOM 38 O LEU A 3 8.031 -4.858 -2.940 1.00 0.00 O ATOM 39 CB LEU A 3 7.535 -1.720 -4.312 1.00 0.00 C ATOM 40 CG LEU A 3 8.125 -1.030 -3.023 1.00 0.00 C ATOM 41 CD1 LEU A 3 9.377 -1.747 -2.465 1.00 0.00 C ATOM 42 CD2 LEU A 3 8.448 0.452 -3.320 1.00 0.00 C ATOM 0 H LEU A 3 6.280 -3.027 -2.179 1.00 0.00 H new ATOM 0 HA LEU A 3 6.377 -3.348 -5.136 1.00 0.00 H new ATOM 0 HB2 LEU A 3 8.341 -1.792 -5.043 1.00 0.00 H new ATOM 0 HB3 LEU A 3 6.785 -1.048 -4.729 1.00 0.00 H new ATOM 0 HG LEU A 3 7.359 -1.099 -2.251 1.00 0.00 H new ATOM 0 HD11 LEU A 3 9.733 -1.221 -1.579 1.00 0.00 H new ATOM 0 HD12 LEU A 3 9.121 -2.773 -2.200 1.00 0.00 H new ATOM 0 HD13 LEU A 3 10.161 -1.753 -3.222 1.00 0.00 H new ATOM 0 HD21 LEU A 3 8.855 0.922 -2.425 1.00 0.00 H new ATOM 0 HD22 LEU A 3 9.180 0.510 -4.126 1.00 0.00 H new ATOM 0 HD23 LEU A 3 7.537 0.970 -3.619 1.00 0.00 H new ATOM 54 N PHE A 4 8.675 -4.545 -5.080 1.00 0.00 N ATOM 55 CA PHE A 4 9.783 -5.521 -5.064 1.00 0.00 C ATOM 56 C PHE A 4 11.115 -4.773 -4.892 1.00 0.00 C ATOM 57 O PHE A 4 11.226 -3.605 -5.269 1.00 0.00 O ATOM 58 CB PHE A 4 9.803 -6.352 -6.378 1.00 0.00 C ATOM 59 CG PHE A 4 8.444 -6.930 -6.776 1.00 0.00 C ATOM 60 CD1 PHE A 4 7.971 -8.113 -6.209 1.00 0.00 C ATOM 61 CD2 PHE A 4 7.640 -6.290 -7.730 1.00 0.00 C ATOM 62 CE1 PHE A 4 6.745 -8.639 -6.577 1.00 0.00 C ATOM 63 CE2 PHE A 4 6.415 -6.817 -8.096 1.00 0.00 C ATOM 64 CZ PHE A 4 5.968 -7.992 -7.523 1.00 0.00 C ATOM 0 H PHE A 4 8.539 -4.100 -5.988 1.00 0.00 H new ATOM 0 HA PHE A 4 9.638 -6.208 -4.230 1.00 0.00 H new ATOM 0 HB2 PHE A 4 10.168 -5.721 -7.188 1.00 0.00 H new ATOM 0 HB3 PHE A 4 10.514 -7.170 -6.266 1.00 0.00 H new ATOM 0 HD1 PHE A 4 8.570 -8.626 -5.472 1.00 0.00 H new ATOM 0 HD2 PHE A 4 7.982 -5.372 -8.185 1.00 0.00 H new ATOM 0 HE1 PHE A 4 6.394 -9.555 -6.126 1.00 0.00 H new ATOM 0 HE2 PHE A 4 5.807 -6.310 -8.830 1.00 0.00 H new ATOM 0 HZ PHE A 4 5.013 -8.406 -7.813 1.00 0.00 H new ATOM 74 N VAL A 5 12.103 -5.453 -4.300 1.00 0.00 N ATOM 75 CA VAL A 5 13.469 -4.947 -4.105 1.00 0.00 C ATOM 76 C VAL A 5 14.457 -6.067 -4.492 1.00 0.00 C ATOM 77 O VAL A 5 14.553 -7.096 -3.798 1.00 0.00 O ATOM 78 CB VAL A 5 13.729 -4.470 -2.617 1.00 0.00 C ATOM 79 CG1 VAL A 5 15.212 -4.111 -2.385 1.00 0.00 C ATOM 80 CG2 VAL A 5 12.827 -3.268 -2.236 1.00 0.00 C ATOM 0 H VAL A 5 11.973 -6.396 -3.933 1.00 0.00 H new ATOM 0 HA VAL A 5 13.611 -4.071 -4.738 1.00 0.00 H new ATOM 0 HB VAL A 5 13.474 -5.310 -1.971 1.00 0.00 H new ATOM 0 HG11 VAL A 5 15.351 -3.788 -1.353 1.00 0.00 H new ATOM 0 HG12 VAL A 5 15.833 -4.986 -2.578 1.00 0.00 H new ATOM 0 HG13 VAL A 5 15.501 -3.305 -3.059 1.00 0.00 H new ATOM 0 HG21 VAL A 5 13.034 -2.969 -1.208 1.00 0.00 H new ATOM 0 HG22 VAL A 5 13.032 -2.433 -2.905 1.00 0.00 H new ATOM 0 HG23 VAL A 5 11.780 -3.556 -2.326 1.00 0.00 H new ATOM 90 N ARG A 6 15.149 -5.868 -5.624 1.00 0.00 N ATOM 91 CA ARG A 6 16.134 -6.810 -6.153 1.00 0.00 C ATOM 92 C ARG A 6 17.458 -6.726 -5.355 1.00 0.00 C ATOM 93 O ARG A 6 18.314 -5.883 -5.621 1.00 0.00 O ATOM 94 CB ARG A 6 16.369 -6.519 -7.663 1.00 0.00 C ATOM 95 CG ARG A 6 17.347 -7.482 -8.380 1.00 0.00 C ATOM 96 CD ARG A 6 17.564 -7.101 -9.856 1.00 0.00 C ATOM 97 NE ARG A 6 16.291 -7.045 -10.606 1.00 0.00 N ATOM 98 CZ ARG A 6 15.849 -5.990 -11.317 1.00 0.00 C ATOM 99 NH1 ARG A 6 16.569 -4.880 -11.408 1.00 0.00 N ATOM 100 NH2 ARG A 6 14.685 -6.057 -11.934 1.00 0.00 N ATOM 0 H ARG A 6 15.035 -5.035 -6.202 1.00 0.00 H new ATOM 0 HA ARG A 6 15.753 -7.826 -6.046 1.00 0.00 H new ATOM 0 HB2 ARG A 6 15.408 -6.555 -8.177 1.00 0.00 H new ATOM 0 HB3 ARG A 6 16.747 -5.502 -7.765 1.00 0.00 H new ATOM 0 HG2 ARG A 6 18.305 -7.476 -7.861 1.00 0.00 H new ATOM 0 HG3 ARG A 6 16.960 -8.499 -8.323 1.00 0.00 H new ATOM 0 HD2 ARG A 6 18.060 -6.132 -9.911 1.00 0.00 H new ATOM 0 HD3 ARG A 6 18.229 -7.827 -10.324 1.00 0.00 H new ATOM 0 HE ARG A 6 15.698 -7.875 -10.583 1.00 0.00 H new ATOM 0 HH11 ARG A 6 17.471 -4.817 -10.936 1.00 0.00 H new ATOM 0 HH12 ARG A 6 16.221 -4.089 -11.950 1.00 0.00 H new ATOM 0 HH21 ARG A 6 14.123 -6.906 -11.872 1.00 0.00 H new ATOM 0 HH22 ARG A 6 14.347 -5.260 -12.473 1.00 0.00 H new ATOM 114 N ALA A 7 17.567 -7.584 -4.338 1.00 0.00 N ATOM 115 CA ALA A 7 18.831 -7.894 -3.644 1.00 0.00 C ATOM 116 C ALA A 7 19.457 -9.133 -4.306 1.00 0.00 C ATOM 117 O ALA A 7 18.938 -9.604 -5.329 1.00 0.00 O ATOM 118 CB ALA A 7 18.584 -8.119 -2.141 1.00 0.00 C ATOM 0 H ALA A 7 16.768 -8.095 -3.963 1.00 0.00 H new ATOM 0 HA ALA A 7 19.522 -7.055 -3.729 1.00 0.00 H new ATOM 0 HB1 ALA A 7 19.529 -8.346 -1.647 1.00 0.00 H new ATOM 0 HB2 ALA A 7 18.154 -7.218 -1.704 1.00 0.00 H new ATOM 0 HB3 ALA A 7 17.894 -8.952 -2.006 1.00 0.00 H new ATOM 124 N GLN A 8 20.599 -9.617 -3.765 1.00 0.00 N ATOM 125 CA GLN A 8 21.216 -10.906 -4.183 1.00 0.00 C ATOM 126 C GLN A 8 20.174 -12.061 -4.251 1.00 0.00 C ATOM 127 O GLN A 8 20.310 -12.987 -5.062 1.00 0.00 O ATOM 128 CB GLN A 8 22.408 -11.268 -3.253 1.00 0.00 C ATOM 129 CG GLN A 8 22.086 -11.344 -1.745 1.00 0.00 C ATOM 130 CD GLN A 8 23.313 -11.668 -0.876 1.00 0.00 C ATOM 131 OE1 GLN A 8 24.454 -11.365 -1.234 1.00 0.00 O ATOM 132 NE2 GLN A 8 23.087 -12.265 0.280 1.00 0.00 N ATOM 0 H GLN A 8 21.118 -9.133 -3.032 1.00 0.00 H new ATOM 0 HA GLN A 8 21.600 -10.774 -5.195 1.00 0.00 H new ATOM 0 HB2 GLN A 8 22.811 -12.231 -3.568 1.00 0.00 H new ATOM 0 HB3 GLN A 8 23.196 -10.529 -3.400 1.00 0.00 H new ATOM 0 HG2 GLN A 8 21.662 -10.393 -1.423 1.00 0.00 H new ATOM 0 HG3 GLN A 8 21.323 -12.105 -1.582 1.00 0.00 H new ATOM 0 HE21 GLN A 8 22.134 -12.505 0.552 1.00 0.00 H new ATOM 0 HE22 GLN A 8 23.866 -12.486 0.901 1.00 0.00 H new ATOM 141 N GLU A 9 19.138 -11.975 -3.399 1.00 0.00 N ATOM 142 CA GLU A 9 17.869 -12.725 -3.553 1.00 0.00 C ATOM 143 C GLU A 9 16.697 -11.716 -3.572 1.00 0.00 C ATOM 144 O GLU A 9 16.755 -10.702 -2.874 1.00 0.00 O ATOM 145 CB GLU A 9 17.687 -13.756 -2.406 1.00 0.00 C ATOM 146 CG GLU A 9 18.686 -14.937 -2.447 1.00 0.00 C ATOM 147 CD GLU A 9 18.404 -16.014 -1.384 1.00 0.00 C ATOM 148 OE1 GLU A 9 17.311 -16.617 -1.419 1.00 0.00 O ATOM 149 OE2 GLU A 9 19.266 -16.274 -0.518 1.00 0.00 O ATOM 0 H GLU A 9 19.154 -11.377 -2.573 1.00 0.00 H new ATOM 0 HA GLU A 9 17.890 -13.283 -4.489 1.00 0.00 H new ATOM 0 HB2 GLU A 9 17.790 -13.241 -1.451 1.00 0.00 H new ATOM 0 HB3 GLU A 9 16.672 -14.152 -2.447 1.00 0.00 H new ATOM 0 HG2 GLU A 9 18.654 -15.396 -3.435 1.00 0.00 H new ATOM 0 HG3 GLU A 9 19.696 -14.553 -2.306 1.00 0.00 H new ATOM 156 N LEU A 10 15.646 -11.986 -4.381 1.00 0.00 N ATOM 157 CA LEU A 10 14.482 -11.071 -4.528 1.00 0.00 C ATOM 158 C LEU A 10 13.641 -11.056 -3.230 1.00 0.00 C ATOM 159 O LEU A 10 13.346 -12.114 -2.657 1.00 0.00 O ATOM 160 CB LEU A 10 13.621 -11.492 -5.780 1.00 0.00 C ATOM 161 CG LEU A 10 12.433 -10.548 -6.251 1.00 0.00 C ATOM 162 CD1 LEU A 10 11.145 -10.718 -5.409 1.00 0.00 C ATOM 163 CD2 LEU A 10 12.869 -9.064 -6.296 1.00 0.00 C ATOM 0 H LEU A 10 15.577 -12.833 -4.945 1.00 0.00 H new ATOM 0 HA LEU A 10 14.840 -10.055 -4.696 1.00 0.00 H new ATOM 0 HB2 LEU A 10 14.302 -11.609 -6.623 1.00 0.00 H new ATOM 0 HB3 LEU A 10 13.198 -12.475 -5.573 1.00 0.00 H new ATOM 0 HG LEU A 10 12.186 -10.866 -7.264 1.00 0.00 H new ATOM 0 HD11 LEU A 10 10.374 -10.045 -5.783 1.00 0.00 H new ATOM 0 HD12 LEU A 10 10.795 -11.748 -5.483 1.00 0.00 H new ATOM 0 HD13 LEU A 10 11.358 -10.482 -4.366 1.00 0.00 H new ATOM 0 HD21 LEU A 10 12.031 -8.448 -6.622 1.00 0.00 H new ATOM 0 HD22 LEU A 10 13.186 -8.748 -5.302 1.00 0.00 H new ATOM 0 HD23 LEU A 10 13.697 -8.949 -6.995 1.00 0.00 H new ATOM 175 N HIS A 11 13.267 -9.841 -2.778 1.00 0.00 N ATOM 176 CA HIS A 11 12.409 -9.632 -1.592 1.00 0.00 C ATOM 177 C HIS A 11 11.282 -8.660 -1.945 1.00 0.00 C ATOM 178 O HIS A 11 11.461 -7.779 -2.779 1.00 0.00 O ATOM 179 CB HIS A 11 13.236 -9.080 -0.402 1.00 0.00 C ATOM 180 CG HIS A 11 14.332 -10.007 0.031 1.00 0.00 C ATOM 181 ND1 HIS A 11 14.086 -11.222 0.627 1.00 0.00 N ATOM 182 CD2 HIS A 11 15.672 -9.933 -0.116 1.00 0.00 C ATOM 183 CE1 HIS A 11 15.222 -11.852 0.810 1.00 0.00 C ATOM 184 NE2 HIS A 11 16.196 -11.093 0.366 1.00 0.00 N ATOM 0 H HIS A 11 13.553 -8.972 -3.228 1.00 0.00 H new ATOM 0 HA HIS A 11 11.984 -10.590 -1.293 1.00 0.00 H new ATOM 0 HB2 HIS A 11 13.669 -8.120 -0.683 1.00 0.00 H new ATOM 0 HB3 HIS A 11 12.570 -8.895 0.441 1.00 0.00 H new ATOM 0 HD1 HIS A 11 13.166 -11.577 0.886 1.00 0.00 H new ATOM 0 HD2 HIS A 11 16.225 -9.107 -0.538 1.00 0.00 H new ATOM 0 HE1 HIS A 11 15.336 -12.831 1.252 1.00 0.00 H new ATOM 193 N THR A 12 10.120 -8.833 -1.311 1.00 0.00 N ATOM 194 CA THR A 12 8.944 -7.976 -1.533 1.00 0.00 C ATOM 195 C THR A 12 8.560 -7.293 -0.204 1.00 0.00 C ATOM 196 O THR A 12 8.521 -7.950 0.845 1.00 0.00 O ATOM 197 CB THR A 12 7.749 -8.817 -2.091 1.00 0.00 C ATOM 198 OG1 THR A 12 8.191 -9.597 -3.215 1.00 0.00 O ATOM 199 CG2 THR A 12 6.575 -7.927 -2.539 1.00 0.00 C ATOM 0 H THR A 12 9.964 -9.573 -0.626 1.00 0.00 H new ATOM 0 HA THR A 12 9.185 -7.212 -2.272 1.00 0.00 H new ATOM 0 HB THR A 12 7.401 -9.463 -1.285 1.00 0.00 H new ATOM 0 HG1 THR A 12 7.441 -10.124 -3.562 1.00 0.00 H new ATOM 0 HG21 THR A 12 5.768 -8.553 -2.919 1.00 0.00 H new ATOM 0 HG22 THR A 12 6.214 -7.346 -1.690 1.00 0.00 H new ATOM 0 HG23 THR A 12 6.911 -7.251 -3.325 1.00 0.00 H new ATOM 207 N PHE A 13 8.300 -5.969 -0.256 1.00 0.00 N ATOM 208 CA PHE A 13 8.011 -5.138 0.929 1.00 0.00 C ATOM 209 C PHE A 13 6.713 -4.341 0.709 1.00 0.00 C ATOM 210 O PHE A 13 6.610 -3.550 -0.241 1.00 0.00 O ATOM 211 CB PHE A 13 9.180 -4.146 1.205 1.00 0.00 C ATOM 212 CG PHE A 13 10.515 -4.812 1.558 1.00 0.00 C ATOM 213 CD1 PHE A 13 10.814 -5.170 2.873 1.00 0.00 C ATOM 214 CD2 PHE A 13 11.475 -5.067 0.575 1.00 0.00 C ATOM 215 CE1 PHE A 13 12.020 -5.768 3.188 1.00 0.00 C ATOM 216 CE2 PHE A 13 12.681 -5.663 0.897 1.00 0.00 C ATOM 217 CZ PHE A 13 12.955 -6.007 2.200 1.00 0.00 C ATOM 0 H PHE A 13 8.285 -5.444 -1.130 1.00 0.00 H new ATOM 0 HA PHE A 13 7.896 -5.799 1.788 1.00 0.00 H new ATOM 0 HB2 PHE A 13 9.323 -3.520 0.324 1.00 0.00 H new ATOM 0 HB3 PHE A 13 8.892 -3.485 2.022 1.00 0.00 H new ATOM 0 HD1 PHE A 13 10.094 -4.977 3.655 1.00 0.00 H new ATOM 0 HD2 PHE A 13 11.272 -4.795 -0.450 1.00 0.00 H new ATOM 0 HE1 PHE A 13 12.231 -6.049 4.209 1.00 0.00 H new ATOM 0 HE2 PHE A 13 13.409 -5.859 0.124 1.00 0.00 H new ATOM 0 HZ PHE A 13 13.901 -6.464 2.451 1.00 0.00 H new ATOM 227 N GLU A 14 5.710 -4.573 1.571 1.00 0.00 N ATOM 228 CA GLU A 14 4.482 -3.769 1.592 1.00 0.00 C ATOM 229 C GLU A 14 4.645 -2.673 2.658 1.00 0.00 C ATOM 230 O GLU A 14 4.581 -2.943 3.862 1.00 0.00 O ATOM 231 CB GLU A 14 3.256 -4.679 1.869 1.00 0.00 C ATOM 232 CG GLU A 14 1.886 -3.973 1.774 1.00 0.00 C ATOM 233 CD GLU A 14 0.698 -4.936 1.958 1.00 0.00 C ATOM 234 OE1 GLU A 14 0.336 -5.242 3.118 1.00 0.00 O ATOM 235 OE2 GLU A 14 0.122 -5.395 0.945 1.00 0.00 O ATOM 0 H GLU A 14 5.729 -5.318 2.267 1.00 0.00 H new ATOM 0 HA GLU A 14 4.310 -3.294 0.626 1.00 0.00 H new ATOM 0 HB2 GLU A 14 3.271 -5.508 1.162 1.00 0.00 H new ATOM 0 HB3 GLU A 14 3.359 -5.108 2.866 1.00 0.00 H new ATOM 0 HG2 GLU A 14 1.833 -3.191 2.532 1.00 0.00 H new ATOM 0 HG3 GLU A 14 1.802 -3.483 0.804 1.00 0.00 H new ATOM 242 N VAL A 15 4.887 -1.435 2.192 1.00 0.00 N ATOM 243 CA VAL A 15 5.234 -0.283 3.045 1.00 0.00 C ATOM 244 C VAL A 15 4.106 0.770 3.032 1.00 0.00 C ATOM 245 O VAL A 15 3.120 0.631 2.304 1.00 0.00 O ATOM 246 CB VAL A 15 6.590 0.380 2.574 1.00 0.00 C ATOM 247 CG1 VAL A 15 7.765 -0.629 2.625 1.00 0.00 C ATOM 248 CG2 VAL A 15 6.461 1.006 1.163 1.00 0.00 C ATOM 0 H VAL A 15 4.847 -1.203 1.200 1.00 0.00 H new ATOM 0 HA VAL A 15 5.359 -0.652 4.063 1.00 0.00 H new ATOM 0 HB VAL A 15 6.811 1.185 3.275 1.00 0.00 H new ATOM 0 HG11 VAL A 15 8.681 -0.138 2.295 1.00 0.00 H new ATOM 0 HG12 VAL A 15 7.893 -0.987 3.647 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.549 -1.473 1.970 1.00 0.00 H new ATOM 0 HG21 VAL A 15 7.413 1.452 0.874 1.00 0.00 H new ATOM 0 HG22 VAL A 15 6.190 0.232 0.445 1.00 0.00 H new ATOM 0 HG23 VAL A 15 5.689 1.776 1.176 1.00 0.00 H new ATOM 258 N THR A 16 4.263 1.809 3.865 1.00 0.00 N ATOM 259 CA THR A 16 3.362 2.968 3.900 1.00 0.00 C ATOM 260 C THR A 16 3.758 3.984 2.799 1.00 0.00 C ATOM 261 O THR A 16 2.908 4.461 2.035 1.00 0.00 O ATOM 262 CB THR A 16 3.424 3.641 5.312 1.00 0.00 C ATOM 263 OG1 THR A 16 3.182 2.655 6.334 1.00 0.00 O ATOM 264 CG2 THR A 16 2.415 4.795 5.474 1.00 0.00 C ATOM 0 H THR A 16 5.026 1.868 4.539 1.00 0.00 H new ATOM 0 HA THR A 16 2.341 2.635 3.712 1.00 0.00 H new ATOM 0 HB THR A 16 4.423 4.065 5.413 1.00 0.00 H new ATOM 0 HG1 THR A 16 3.224 3.081 7.216 1.00 0.00 H new ATOM 0 HG21 THR A 16 2.507 5.221 6.473 1.00 0.00 H new ATOM 0 HG22 THR A 16 2.621 5.565 4.731 1.00 0.00 H new ATOM 0 HG23 THR A 16 1.403 4.416 5.332 1.00 0.00 H new ATOM 272 N GLY A 17 5.076 4.256 2.695 1.00 0.00 N ATOM 273 CA GLY A 17 5.607 5.285 1.791 1.00 0.00 C ATOM 274 C GLY A 17 6.469 6.288 2.540 1.00 0.00 C ATOM 275 O GLY A 17 7.469 6.777 2.017 1.00 0.00 O ATOM 0 H GLY A 17 5.793 3.770 3.233 1.00 0.00 H new ATOM 0 HA2 GLY A 17 6.196 4.812 1.005 1.00 0.00 H new ATOM 0 HA3 GLY A 17 4.782 5.804 1.303 1.00 0.00 H new ATOM 279 N GLN A 18 6.078 6.582 3.796 1.00 0.00 N ATOM 280 CA GLN A 18 6.873 7.422 4.725 1.00 0.00 C ATOM 281 C GLN A 18 8.212 6.740 5.104 1.00 0.00 C ATOM 282 O GLN A 18 9.069 7.352 5.751 1.00 0.00 O ATOM 283 CB GLN A 18 6.041 7.732 5.990 1.00 0.00 C ATOM 284 CG GLN A 18 5.626 6.486 6.802 1.00 0.00 C ATOM 285 CD GLN A 18 4.808 6.806 8.056 1.00 0.00 C ATOM 286 OE1 GLN A 18 4.075 7.790 8.106 1.00 0.00 O ATOM 287 NE2 GLN A 18 4.931 5.977 9.081 1.00 0.00 N ATOM 0 H GLN A 18 5.203 6.246 4.198 1.00 0.00 H new ATOM 0 HA GLN A 18 7.117 8.356 4.219 1.00 0.00 H new ATOM 0 HB2 GLN A 18 6.617 8.396 6.635 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.143 8.274 5.695 1.00 0.00 H new ATOM 0 HG2 GLN A 18 5.045 5.824 6.160 1.00 0.00 H new ATOM 0 HG3 GLN A 18 6.523 5.940 7.095 1.00 0.00 H new ATOM 0 HE21 GLN A 18 5.547 5.167 9.011 1.00 0.00 H new ATOM 0 HE22 GLN A 18 4.409 6.148 9.941 1.00 0.00 H new ATOM 296 N GLU A 19 8.335 5.458 4.723 1.00 0.00 N ATOM 297 CA GLU A 19 9.583 4.686 4.766 1.00 0.00 C ATOM 298 C GLU A 19 10.707 5.442 4.036 1.00 0.00 C ATOM 299 O GLU A 19 10.498 5.876 2.912 1.00 0.00 O ATOM 300 CB GLU A 19 9.363 3.312 4.057 1.00 0.00 C ATOM 301 CG GLU A 19 10.348 2.205 4.476 1.00 0.00 C ATOM 302 CD GLU A 19 10.034 1.647 5.874 1.00 0.00 C ATOM 303 OE1 GLU A 19 10.428 2.261 6.886 1.00 0.00 O ATOM 304 OE2 GLU A 19 9.360 0.598 5.966 1.00 0.00 O ATOM 0 H GLU A 19 7.547 4.917 4.367 1.00 0.00 H new ATOM 0 HA GLU A 19 9.866 4.537 5.808 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.348 2.972 4.261 1.00 0.00 H new ATOM 0 HB3 GLU A 19 9.440 3.458 2.980 1.00 0.00 H new ATOM 0 HG2 GLU A 19 10.313 1.395 3.747 1.00 0.00 H new ATOM 0 HG3 GLU A 19 11.363 2.601 4.464 1.00 0.00 H new ATOM 311 N THR A 20 11.869 5.615 4.671 1.00 0.00 N ATOM 312 CA THR A 20 13.034 6.194 3.984 1.00 0.00 C ATOM 313 C THR A 20 13.794 5.096 3.226 1.00 0.00 C ATOM 314 O THR A 20 13.595 3.894 3.468 1.00 0.00 O ATOM 315 CB THR A 20 13.999 6.930 4.959 1.00 0.00 C ATOM 316 OG1 THR A 20 14.607 5.997 5.854 1.00 0.00 O ATOM 317 CG2 THR A 20 13.280 8.022 5.765 1.00 0.00 C ATOM 0 H THR A 20 12.031 5.367 5.647 1.00 0.00 H new ATOM 0 HA THR A 20 12.656 6.938 3.283 1.00 0.00 H new ATOM 0 HB THR A 20 14.766 7.410 4.351 1.00 0.00 H new ATOM 0 HG1 THR A 20 15.085 6.483 6.558 1.00 0.00 H new ATOM 0 HG21 THR A 20 13.991 8.509 6.432 1.00 0.00 H new ATOM 0 HG22 THR A 20 12.858 8.760 5.082 1.00 0.00 H new ATOM 0 HG23 THR A 20 12.480 7.573 6.353 1.00 0.00 H new ATOM 325 N VAL A 21 14.673 5.513 2.314 1.00 0.00 N ATOM 326 CA VAL A 21 15.557 4.596 1.585 1.00 0.00 C ATOM 327 C VAL A 21 16.584 3.961 2.552 1.00 0.00 C ATOM 328 O VAL A 21 16.984 2.808 2.370 1.00 0.00 O ATOM 329 CB VAL A 21 16.246 5.350 0.400 1.00 0.00 C ATOM 330 CG1 VAL A 21 17.338 4.506 -0.278 1.00 0.00 C ATOM 331 CG2 VAL A 21 15.185 5.825 -0.626 1.00 0.00 C ATOM 0 H VAL A 21 14.794 6.493 2.059 1.00 0.00 H new ATOM 0 HA VAL A 21 14.970 3.782 1.159 1.00 0.00 H new ATOM 0 HB VAL A 21 16.746 6.224 0.817 1.00 0.00 H new ATOM 0 HG11 VAL A 21 17.784 5.075 -1.093 1.00 0.00 H new ATOM 0 HG12 VAL A 21 18.107 4.253 0.451 1.00 0.00 H new ATOM 0 HG13 VAL A 21 16.897 3.591 -0.673 1.00 0.00 H new ATOM 0 HG21 VAL A 21 15.679 6.348 -1.445 1.00 0.00 H new ATOM 0 HG22 VAL A 21 14.647 4.962 -1.019 1.00 0.00 H new ATOM 0 HG23 VAL A 21 14.482 6.499 -0.137 1.00 0.00 H new ATOM 341 N ALA A 22 16.950 4.714 3.609 1.00 0.00 N ATOM 342 CA ALA A 22 17.824 4.228 4.693 1.00 0.00 C ATOM 343 C ALA A 22 17.174 3.048 5.430 1.00 0.00 C ATOM 344 O ALA A 22 17.842 2.063 5.776 1.00 0.00 O ATOM 345 CB ALA A 22 18.126 5.365 5.683 1.00 0.00 C ATOM 0 H ALA A 22 16.646 5.680 3.734 1.00 0.00 H new ATOM 0 HA ALA A 22 18.759 3.885 4.249 1.00 0.00 H new ATOM 0 HB1 ALA A 22 18.772 4.993 6.478 1.00 0.00 H new ATOM 0 HB2 ALA A 22 18.627 6.180 5.160 1.00 0.00 H new ATOM 0 HB3 ALA A 22 17.193 5.730 6.114 1.00 0.00 H new ATOM 351 N GLN A 23 15.851 3.162 5.650 1.00 0.00 N ATOM 352 CA GLN A 23 15.050 2.108 6.285 1.00 0.00 C ATOM 353 C GLN A 23 14.938 0.881 5.366 1.00 0.00 C ATOM 354 O GLN A 23 15.016 -0.244 5.846 1.00 0.00 O ATOM 355 CB GLN A 23 13.644 2.645 6.662 1.00 0.00 C ATOM 356 CG GLN A 23 13.623 3.711 7.787 1.00 0.00 C ATOM 357 CD GLN A 23 13.856 3.161 9.205 1.00 0.00 C ATOM 358 OE1 GLN A 23 14.539 2.156 9.410 1.00 0.00 O ATOM 359 NE2 GLN A 23 13.281 3.826 10.197 1.00 0.00 N ATOM 0 H GLN A 23 15.311 3.988 5.392 1.00 0.00 H new ATOM 0 HA GLN A 23 15.554 1.799 7.201 1.00 0.00 H new ATOM 0 HB2 GLN A 23 13.185 3.072 5.770 1.00 0.00 H new ATOM 0 HB3 GLN A 23 13.022 1.804 6.969 1.00 0.00 H new ATOM 0 HG2 GLN A 23 14.387 4.459 7.573 1.00 0.00 H new ATOM 0 HG3 GLN A 23 12.661 4.222 7.765 1.00 0.00 H new ATOM 0 HE21 GLN A 23 12.721 4.655 9.998 1.00 0.00 H new ATOM 0 HE22 GLN A 23 13.399 3.509 11.159 1.00 0.00 H new ATOM 368 N ILE A 24 14.761 1.112 4.043 1.00 0.00 N ATOM 369 CA ILE A 24 14.726 0.029 3.024 1.00 0.00 C ATOM 370 C ILE A 24 16.033 -0.789 3.059 1.00 0.00 C ATOM 371 O ILE A 24 15.991 -2.027 2.998 1.00 0.00 O ATOM 372 CB ILE A 24 14.469 0.602 1.572 1.00 0.00 C ATOM 373 CG1 ILE A 24 13.051 1.253 1.475 1.00 0.00 C ATOM 374 CG2 ILE A 24 14.649 -0.474 0.463 1.00 0.00 C ATOM 375 CD1 ILE A 24 11.887 0.287 1.678 1.00 0.00 C ATOM 0 H ILE A 24 14.639 2.046 3.652 1.00 0.00 H new ATOM 0 HA ILE A 24 13.893 -0.629 3.271 1.00 0.00 H new ATOM 0 HB ILE A 24 15.225 1.368 1.400 1.00 0.00 H new ATOM 0 HG12 ILE A 24 12.980 2.047 2.219 1.00 0.00 H new ATOM 0 HG13 ILE A 24 12.949 1.723 0.497 1.00 0.00 H new ATOM 0 HG21 ILE A 24 14.461 -0.026 -0.513 1.00 0.00 H new ATOM 0 HG22 ILE A 24 15.667 -0.861 0.494 1.00 0.00 H new ATOM 0 HG23 ILE A 24 13.945 -1.290 0.630 1.00 0.00 H new ATOM 0 HD11 ILE A 24 10.945 0.829 1.593 1.00 0.00 H new ATOM 0 HD12 ILE A 24 11.926 -0.494 0.919 1.00 0.00 H new ATOM 0 HD13 ILE A 24 11.957 -0.165 2.667 1.00 0.00 H new ATOM 387 N LYS A 25 17.182 -0.073 3.177 1.00 0.00 N ATOM 388 CA LYS A 25 18.504 -0.701 3.337 1.00 0.00 C ATOM 389 C LYS A 25 18.524 -1.566 4.601 1.00 0.00 C ATOM 390 O LYS A 25 18.874 -2.736 4.538 1.00 0.00 O ATOM 391 CB LYS A 25 19.633 0.358 3.429 1.00 0.00 C ATOM 392 CG LYS A 25 19.793 1.264 2.193 1.00 0.00 C ATOM 393 CD LYS A 25 20.928 2.297 2.376 1.00 0.00 C ATOM 394 CE LYS A 25 21.058 3.273 1.196 1.00 0.00 C ATOM 395 NZ LYS A 25 22.262 4.134 1.341 1.00 0.00 N ATOM 0 H LYS A 25 17.210 0.947 3.163 1.00 0.00 H new ATOM 0 HA LYS A 25 18.682 -1.319 2.457 1.00 0.00 H new ATOM 0 HB2 LYS A 25 19.446 0.988 4.298 1.00 0.00 H new ATOM 0 HB3 LYS A 25 20.577 -0.157 3.605 1.00 0.00 H new ATOM 0 HG2 LYS A 25 20.000 0.649 1.317 1.00 0.00 H new ATOM 0 HG3 LYS A 25 18.855 1.786 2.002 1.00 0.00 H new ATOM 0 HD2 LYS A 25 20.750 2.864 3.290 1.00 0.00 H new ATOM 0 HD3 LYS A 25 21.873 1.769 2.508 1.00 0.00 H new ATOM 0 HE2 LYS A 25 21.118 2.713 0.263 1.00 0.00 H new ATOM 0 HE3 LYS A 25 20.166 3.897 1.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 22.288 4.828 0.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 22.224 4.633 2.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 23.117 3.544 1.305 1.00 0.00 H new ATOM 409 N ALA A 26 18.117 -0.967 5.731 1.00 0.00 N ATOM 410 CA ALA A 26 18.076 -1.647 7.043 1.00 0.00 C ATOM 411 C ALA A 26 17.228 -2.941 6.997 1.00 0.00 C ATOM 412 O ALA A 26 17.657 -3.979 7.502 1.00 0.00 O ATOM 413 CB ALA A 26 17.548 -0.679 8.107 1.00 0.00 C ATOM 0 H ALA A 26 17.806 0.004 5.765 1.00 0.00 H new ATOM 0 HA ALA A 26 19.091 -1.947 7.304 1.00 0.00 H new ATOM 0 HB1 ALA A 26 17.518 -1.182 9.074 1.00 0.00 H new ATOM 0 HB2 ALA A 26 18.206 0.188 8.169 1.00 0.00 H new ATOM 0 HB3 ALA A 26 16.544 -0.353 7.836 1.00 0.00 H new ATOM 419 N HIS A 27 16.059 -2.859 6.322 1.00 0.00 N ATOM 420 CA HIS A 27 15.113 -3.984 6.183 1.00 0.00 C ATOM 421 C HIS A 27 15.749 -5.172 5.442 1.00 0.00 C ATOM 422 O HIS A 27 15.789 -6.291 5.968 1.00 0.00 O ATOM 423 CB HIS A 27 13.809 -3.542 5.454 1.00 0.00 C ATOM 424 CG HIS A 27 12.900 -2.644 6.260 1.00 0.00 C ATOM 425 ND1 HIS A 27 12.553 -2.897 7.572 1.00 0.00 N ATOM 426 CD2 HIS A 27 12.265 -1.488 5.933 1.00 0.00 C ATOM 427 CE1 HIS A 27 11.758 -1.944 8.009 1.00 0.00 C ATOM 428 NE2 HIS A 27 11.574 -1.080 7.039 1.00 0.00 N ATOM 0 H HIS A 27 15.746 -2.006 5.858 1.00 0.00 H new ATOM 0 HA HIS A 27 14.857 -4.306 7.192 1.00 0.00 H new ATOM 0 HB2 HIS A 27 14.082 -3.026 4.534 1.00 0.00 H new ATOM 0 HB3 HIS A 27 13.252 -4.433 5.166 1.00 0.00 H new ATOM 0 HD1 HIS A 27 12.865 -3.700 8.119 1.00 0.00 H new ATOM 0 HD2 HIS A 27 12.300 -0.986 4.978 1.00 0.00 H new ATOM 0 HE1 HIS A 27 11.330 -1.883 8.999 1.00 0.00 H new ATOM 437 N VAL A 28 16.280 -4.908 4.236 1.00 0.00 N ATOM 438 CA VAL A 28 16.811 -5.971 3.357 1.00 0.00 C ATOM 439 C VAL A 28 18.154 -6.524 3.915 1.00 0.00 C ATOM 440 O VAL A 28 18.457 -7.714 3.771 1.00 0.00 O ATOM 441 CB VAL A 28 16.946 -5.459 1.871 1.00 0.00 C ATOM 442 CG1 VAL A 28 17.997 -4.339 1.726 1.00 0.00 C ATOM 443 CG2 VAL A 28 17.221 -6.617 0.888 1.00 0.00 C ATOM 0 H VAL A 28 16.354 -3.969 3.845 1.00 0.00 H new ATOM 0 HA VAL A 28 16.102 -6.799 3.343 1.00 0.00 H new ATOM 0 HB VAL A 28 15.982 -5.024 1.608 1.00 0.00 H new ATOM 0 HG11 VAL A 28 18.050 -4.023 0.684 1.00 0.00 H new ATOM 0 HG12 VAL A 28 17.713 -3.491 2.349 1.00 0.00 H new ATOM 0 HG13 VAL A 28 18.971 -4.711 2.042 1.00 0.00 H new ATOM 0 HG21 VAL A 28 17.307 -6.222 -0.124 1.00 0.00 H new ATOM 0 HG22 VAL A 28 18.150 -7.115 1.164 1.00 0.00 H new ATOM 0 HG23 VAL A 28 16.400 -7.332 0.930 1.00 0.00 H new ATOM 453 N ALA A 29 18.910 -5.653 4.618 1.00 0.00 N ATOM 454 CA ALA A 29 20.181 -6.021 5.264 1.00 0.00 C ATOM 455 C ALA A 29 19.951 -6.894 6.498 1.00 0.00 C ATOM 456 O ALA A 29 20.761 -7.765 6.790 1.00 0.00 O ATOM 457 CB ALA A 29 20.971 -4.770 5.646 1.00 0.00 C ATOM 0 H ALA A 29 18.653 -4.675 4.751 1.00 0.00 H new ATOM 0 HA ALA A 29 20.759 -6.600 4.544 1.00 0.00 H new ATOM 0 HB1 ALA A 29 21.907 -5.062 6.122 1.00 0.00 H new ATOM 0 HB2 ALA A 29 21.186 -4.188 4.750 1.00 0.00 H new ATOM 0 HB3 ALA A 29 20.384 -4.167 6.339 1.00 0.00 H new ATOM 463 N SER A 30 18.849 -6.638 7.227 1.00 0.00 N ATOM 464 CA SER A 30 18.454 -7.446 8.391 1.00 0.00 C ATOM 465 C SER A 30 18.049 -8.864 7.945 1.00 0.00 C ATOM 466 O SER A 30 18.363 -9.846 8.630 1.00 0.00 O ATOM 467 CB SER A 30 17.299 -6.745 9.143 1.00 0.00 C ATOM 468 OG SER A 30 16.969 -7.400 10.357 1.00 0.00 O ATOM 0 H SER A 30 18.211 -5.868 7.025 1.00 0.00 H new ATOM 0 HA SER A 30 19.301 -7.540 9.070 1.00 0.00 H new ATOM 0 HB2 SER A 30 17.580 -5.713 9.355 1.00 0.00 H new ATOM 0 HB3 SER A 30 16.419 -6.710 8.501 1.00 0.00 H new ATOM 0 HG SER A 30 16.236 -6.922 10.798 1.00 0.00 H new ATOM 474 N LEU A 31 17.373 -8.949 6.778 1.00 0.00 N ATOM 475 CA LEU A 31 16.958 -10.236 6.174 1.00 0.00 C ATOM 476 C LEU A 31 18.179 -11.110 5.792 1.00 0.00 C ATOM 477 O LEU A 31 18.204 -12.317 6.076 1.00 0.00 O ATOM 478 CB LEU A 31 16.062 -10.000 4.927 1.00 0.00 C ATOM 479 CG LEU A 31 14.726 -9.225 5.172 1.00 0.00 C ATOM 480 CD1 LEU A 31 13.942 -9.048 3.857 1.00 0.00 C ATOM 481 CD2 LEU A 31 13.852 -9.904 6.259 1.00 0.00 C ATOM 0 H LEU A 31 17.101 -8.133 6.230 1.00 0.00 H new ATOM 0 HA LEU A 31 16.381 -10.772 6.927 1.00 0.00 H new ATOM 0 HB2 LEU A 31 16.644 -9.453 4.186 1.00 0.00 H new ATOM 0 HB3 LEU A 31 15.821 -10.969 4.491 1.00 0.00 H new ATOM 0 HG LEU A 31 14.989 -8.236 5.546 1.00 0.00 H new ATOM 0 HD11 LEU A 31 13.017 -8.506 4.055 1.00 0.00 H new ATOM 0 HD12 LEU A 31 14.547 -8.486 3.146 1.00 0.00 H new ATOM 0 HD13 LEU A 31 13.707 -10.027 3.439 1.00 0.00 H new ATOM 0 HD21 LEU A 31 12.934 -9.333 6.397 1.00 0.00 H new ATOM 0 HD22 LEU A 31 13.605 -10.918 5.946 1.00 0.00 H new ATOM 0 HD23 LEU A 31 14.402 -9.939 7.199 1.00 0.00 H new ATOM 493 N GLU A 32 19.180 -10.488 5.148 1.00 0.00 N ATOM 494 CA GLU A 32 20.432 -11.174 4.742 1.00 0.00 C ATOM 495 C GLU A 32 21.418 -11.310 5.920 1.00 0.00 C ATOM 496 O GLU A 32 22.322 -12.154 5.883 1.00 0.00 O ATOM 497 CB GLU A 32 21.094 -10.421 3.546 1.00 0.00 C ATOM 498 CG GLU A 32 20.586 -10.828 2.144 1.00 0.00 C ATOM 499 CD GLU A 32 19.065 -10.702 1.952 1.00 0.00 C ATOM 500 OE1 GLU A 32 18.326 -11.673 2.262 1.00 0.00 O ATOM 501 OE2 GLU A 32 18.598 -9.651 1.474 1.00 0.00 O ATOM 0 H GLU A 32 19.151 -9.501 4.892 1.00 0.00 H new ATOM 0 HA GLU A 32 20.173 -12.183 4.423 1.00 0.00 H new ATOM 0 HB2 GLU A 32 20.930 -9.351 3.677 1.00 0.00 H new ATOM 0 HB3 GLU A 32 22.171 -10.586 3.586 1.00 0.00 H new ATOM 0 HG2 GLU A 32 21.085 -10.210 1.398 1.00 0.00 H new ATOM 0 HG3 GLU A 32 20.879 -11.860 1.951 1.00 0.00 H new ATOM 508 N GLY A 33 21.229 -10.476 6.958 1.00 0.00 N ATOM 509 CA GLY A 33 22.159 -10.395 8.091 1.00 0.00 C ATOM 510 C GLY A 33 23.480 -9.729 7.702 1.00 0.00 C ATOM 511 O GLY A 33 24.534 -10.056 8.251 1.00 0.00 O ATOM 0 H GLY A 33 20.432 -9.844 7.032 1.00 0.00 H new ATOM 0 HA2 GLY A 33 21.695 -9.833 8.902 1.00 0.00 H new ATOM 0 HA3 GLY A 33 22.356 -11.398 8.470 1.00 0.00 H new ATOM 515 N ILE A 34 23.409 -8.798 6.733 1.00 0.00 N ATOM 516 CA ILE A 34 24.576 -8.064 6.199 1.00 0.00 C ATOM 517 C ILE A 34 24.512 -6.575 6.600 1.00 0.00 C ATOM 518 O ILE A 34 23.572 -6.143 7.276 1.00 0.00 O ATOM 519 CB ILE A 34 24.667 -8.210 4.630 1.00 0.00 C ATOM 520 CG1 ILE A 34 23.441 -7.541 3.918 1.00 0.00 C ATOM 521 CG2 ILE A 34 24.793 -9.704 4.233 1.00 0.00 C ATOM 522 CD1 ILE A 34 23.469 -7.616 2.397 1.00 0.00 C ATOM 0 H ILE A 34 22.529 -8.529 6.292 1.00 0.00 H new ATOM 0 HA ILE A 34 25.475 -8.501 6.633 1.00 0.00 H new ATOM 0 HB ILE A 34 25.562 -7.686 4.295 1.00 0.00 H new ATOM 0 HG12 ILE A 34 22.527 -8.016 4.275 1.00 0.00 H new ATOM 0 HG13 ILE A 34 23.393 -6.494 4.216 1.00 0.00 H new ATOM 0 HG21 ILE A 34 24.855 -9.788 3.148 1.00 0.00 H new ATOM 0 HG22 ILE A 34 25.693 -10.125 4.681 1.00 0.00 H new ATOM 0 HG23 ILE A 34 23.920 -10.250 4.590 1.00 0.00 H new ATOM 0 HD11 ILE A 34 22.582 -7.128 1.992 1.00 0.00 H new ATOM 0 HD12 ILE A 34 24.362 -7.114 2.024 1.00 0.00 H new ATOM 0 HD13 ILE A 34 23.483 -8.660 2.084 1.00 0.00 H new ATOM 534 N ALA A 35 25.528 -5.810 6.170 1.00 0.00 N ATOM 535 CA ALA A 35 25.701 -4.385 6.519 1.00 0.00 C ATOM 536 C ALA A 35 24.727 -3.455 5.736 1.00 0.00 C ATOM 537 O ALA A 35 24.755 -3.440 4.501 1.00 0.00 O ATOM 538 CB ALA A 35 27.159 -3.998 6.240 1.00 0.00 C ATOM 0 H ALA A 35 26.265 -6.166 5.561 1.00 0.00 H new ATOM 0 HA ALA A 35 25.463 -4.253 7.574 1.00 0.00 H new ATOM 0 HB1 ALA A 35 27.311 -2.948 6.491 1.00 0.00 H new ATOM 0 HB2 ALA A 35 27.822 -4.615 6.846 1.00 0.00 H new ATOM 0 HB3 ALA A 35 27.382 -4.155 5.185 1.00 0.00 H new ATOM 544 N PRO A 36 23.879 -2.619 6.438 1.00 0.00 N ATOM 545 CA PRO A 36 22.920 -1.699 5.763 1.00 0.00 C ATOM 546 C PRO A 36 23.631 -0.567 4.985 1.00 0.00 C ATOM 547 O PRO A 36 23.135 -0.116 3.942 1.00 0.00 O ATOM 548 CB PRO A 36 22.057 -1.153 6.935 1.00 0.00 C ATOM 549 CG PRO A 36 22.949 -1.251 8.138 1.00 0.00 C ATOM 550 CD PRO A 36 23.786 -2.500 7.925 1.00 0.00 C ATOM 0 HA PRO A 36 22.326 -2.204 5.001 1.00 0.00 H new ATOM 0 HB2 PRO A 36 21.747 -0.124 6.754 1.00 0.00 H new ATOM 0 HB3 PRO A 36 21.148 -1.741 7.066 1.00 0.00 H new ATOM 0 HG2 PRO A 36 23.580 -0.367 8.231 1.00 0.00 H new ATOM 0 HG3 PRO A 36 22.364 -1.323 9.055 1.00 0.00 H new ATOM 0 HD2 PRO A 36 24.771 -2.403 8.381 1.00 0.00 H new ATOM 0 HD3 PRO A 36 23.315 -3.377 8.368 1.00 0.00 H new ATOM 558 N GLU A 37 24.810 -0.142 5.498 1.00 0.00 N ATOM 559 CA GLU A 37 25.627 0.929 4.882 1.00 0.00 C ATOM 560 C GLU A 37 26.586 0.380 3.807 1.00 0.00 C ATOM 561 O GLU A 37 27.437 1.115 3.315 1.00 0.00 O ATOM 562 CB GLU A 37 26.369 1.757 5.986 1.00 0.00 C ATOM 563 CG GLU A 37 27.189 0.956 7.025 1.00 0.00 C ATOM 564 CD GLU A 37 28.439 0.252 6.453 1.00 0.00 C ATOM 565 OE1 GLU A 37 29.415 0.942 6.092 1.00 0.00 O ATOM 566 OE2 GLU A 37 28.454 -0.990 6.362 1.00 0.00 O ATOM 0 H GLU A 37 25.220 -0.531 6.347 1.00 0.00 H new ATOM 0 HA GLU A 37 24.955 1.609 4.359 1.00 0.00 H new ATOM 0 HB2 GLU A 37 27.040 2.458 5.491 1.00 0.00 H new ATOM 0 HB3 GLU A 37 25.628 2.350 6.522 1.00 0.00 H new ATOM 0 HG2 GLU A 37 27.501 1.632 7.821 1.00 0.00 H new ATOM 0 HG3 GLU A 37 26.542 0.206 7.479 1.00 0.00 H new ATOM 573 N ASP A 38 26.482 -0.925 3.480 1.00 0.00 N ATOM 574 CA ASP A 38 27.128 -1.496 2.279 1.00 0.00 C ATOM 575 C ASP A 38 26.288 -1.155 1.045 1.00 0.00 C ATOM 576 O ASP A 38 26.798 -0.924 -0.062 1.00 0.00 O ATOM 577 CB ASP A 38 27.279 -3.036 2.419 1.00 0.00 C ATOM 578 CG ASP A 38 27.897 -3.707 1.173 1.00 0.00 C ATOM 579 OD1 ASP A 38 29.101 -3.487 0.910 1.00 0.00 O ATOM 580 OD2 ASP A 38 27.185 -4.440 0.453 1.00 0.00 O ATOM 0 H ASP A 38 25.957 -1.604 4.031 1.00 0.00 H new ATOM 0 HA ASP A 38 28.124 -1.067 2.171 1.00 0.00 H new ATOM 0 HB2 ASP A 38 27.901 -3.255 3.287 1.00 0.00 H new ATOM 0 HB3 ASP A 38 26.299 -3.474 2.610 1.00 0.00 H new ATOM 585 N GLN A 39 24.983 -1.067 1.293 1.00 0.00 N ATOM 586 CA GLN A 39 23.951 -1.018 0.269 1.00 0.00 C ATOM 587 C GLN A 39 23.630 0.421 -0.169 1.00 0.00 C ATOM 588 O GLN A 39 23.710 1.367 0.622 1.00 0.00 O ATOM 589 CB GLN A 39 22.691 -1.700 0.846 1.00 0.00 C ATOM 590 CG GLN A 39 22.956 -3.135 1.361 1.00 0.00 C ATOM 591 CD GLN A 39 21.748 -3.800 2.017 1.00 0.00 C ATOM 592 OE1 GLN A 39 21.550 -5.008 1.909 1.00 0.00 O ATOM 593 NE2 GLN A 39 20.964 -3.034 2.753 1.00 0.00 N ATOM 0 H GLN A 39 24.607 -1.027 2.240 1.00 0.00 H new ATOM 0 HA GLN A 39 24.305 -1.536 -0.622 1.00 0.00 H new ATOM 0 HB2 GLN A 39 22.300 -1.094 1.663 1.00 0.00 H new ATOM 0 HB3 GLN A 39 21.920 -1.734 0.077 1.00 0.00 H new ATOM 0 HG2 GLN A 39 23.287 -3.753 0.526 1.00 0.00 H new ATOM 0 HG3 GLN A 39 23.775 -3.105 2.080 1.00 0.00 H new ATOM 0 HE21 GLN A 39 21.151 -2.034 2.826 1.00 0.00 H new ATOM 0 HE22 GLN A 39 20.172 -3.442 3.249 1.00 0.00 H new ATOM 602 N VAL A 40 23.276 0.550 -1.450 1.00 0.00 N ATOM 603 CA VAL A 40 22.642 1.738 -2.027 1.00 0.00 C ATOM 604 C VAL A 40 21.428 1.259 -2.834 1.00 0.00 C ATOM 605 O VAL A 40 21.532 0.302 -3.621 1.00 0.00 O ATOM 606 CB VAL A 40 23.637 2.585 -2.925 1.00 0.00 C ATOM 607 CG1 VAL A 40 24.260 1.746 -4.069 1.00 0.00 C ATOM 608 CG2 VAL A 40 22.956 3.870 -3.476 1.00 0.00 C ATOM 0 H VAL A 40 23.427 -0.191 -2.134 1.00 0.00 H new ATOM 0 HA VAL A 40 22.334 2.412 -1.228 1.00 0.00 H new ATOM 0 HB VAL A 40 24.456 2.893 -2.275 1.00 0.00 H new ATOM 0 HG11 VAL A 40 24.933 2.372 -4.654 1.00 0.00 H new ATOM 0 HG12 VAL A 40 24.818 0.911 -3.645 1.00 0.00 H new ATOM 0 HG13 VAL A 40 23.468 1.364 -4.713 1.00 0.00 H new ATOM 0 HG21 VAL A 40 23.668 4.426 -4.087 1.00 0.00 H new ATOM 0 HG22 VAL A 40 22.095 3.593 -4.084 1.00 0.00 H new ATOM 0 HG23 VAL A 40 22.628 4.493 -2.644 1.00 0.00 H new ATOM 618 N VAL A 41 20.259 1.866 -2.587 1.00 0.00 N ATOM 619 CA VAL A 41 19.028 1.513 -3.311 1.00 0.00 C ATOM 620 C VAL A 41 18.936 2.354 -4.597 1.00 0.00 C ATOM 621 O VAL A 41 19.146 3.568 -4.573 1.00 0.00 O ATOM 622 CB VAL A 41 17.744 1.670 -2.419 1.00 0.00 C ATOM 623 CG1 VAL A 41 16.456 1.274 -3.183 1.00 0.00 C ATOM 624 CG2 VAL A 41 17.885 0.842 -1.117 1.00 0.00 C ATOM 0 H VAL A 41 20.139 2.603 -1.892 1.00 0.00 H new ATOM 0 HA VAL A 41 19.076 0.457 -3.578 1.00 0.00 H new ATOM 0 HB VAL A 41 17.653 2.724 -2.158 1.00 0.00 H new ATOM 0 HG11 VAL A 41 15.593 1.398 -2.529 1.00 0.00 H new ATOM 0 HG12 VAL A 41 16.342 1.912 -4.059 1.00 0.00 H new ATOM 0 HG13 VAL A 41 16.526 0.233 -3.499 1.00 0.00 H new ATOM 0 HG21 VAL A 41 16.987 0.962 -0.511 1.00 0.00 H new ATOM 0 HG22 VAL A 41 18.016 -0.211 -1.368 1.00 0.00 H new ATOM 0 HG23 VAL A 41 18.751 1.192 -0.556 1.00 0.00 H new ATOM 634 N LEU A 42 18.655 1.673 -5.713 1.00 0.00 N ATOM 635 CA LEU A 42 18.649 2.242 -7.065 1.00 0.00 C ATOM 636 C LEU A 42 17.241 2.118 -7.668 1.00 0.00 C ATOM 637 O LEU A 42 16.509 1.167 -7.353 1.00 0.00 O ATOM 638 CB LEU A 42 19.674 1.473 -7.951 1.00 0.00 C ATOM 639 CG LEU A 42 21.146 1.411 -7.426 1.00 0.00 C ATOM 640 CD1 LEU A 42 22.015 0.506 -8.325 1.00 0.00 C ATOM 641 CD2 LEU A 42 21.768 2.821 -7.295 1.00 0.00 C ATOM 0 H LEU A 42 18.418 0.681 -5.700 1.00 0.00 H new ATOM 0 HA LEU A 42 18.927 3.295 -7.022 1.00 0.00 H new ATOM 0 HB2 LEU A 42 19.315 0.452 -8.079 1.00 0.00 H new ATOM 0 HB3 LEU A 42 19.684 1.934 -8.939 1.00 0.00 H new ATOM 0 HG LEU A 42 21.117 0.974 -6.428 1.00 0.00 H new ATOM 0 HD11 LEU A 42 23.034 0.480 -7.938 1.00 0.00 H new ATOM 0 HD12 LEU A 42 21.603 -0.503 -8.332 1.00 0.00 H new ATOM 0 HD13 LEU A 42 22.022 0.902 -9.341 1.00 0.00 H new ATOM 0 HD21 LEU A 42 22.791 2.735 -6.928 1.00 0.00 H new ATOM 0 HD22 LEU A 42 21.773 3.309 -8.270 1.00 0.00 H new ATOM 0 HD23 LEU A 42 21.180 3.415 -6.595 1.00 0.00 H new ATOM 653 N LEU A 43 16.878 3.075 -8.524 1.00 0.00 N ATOM 654 CA LEU A 43 15.645 3.025 -9.325 1.00 0.00 C ATOM 655 C LEU A 43 16.003 3.350 -10.783 1.00 0.00 C ATOM 656 O LEU A 43 16.279 4.512 -11.120 1.00 0.00 O ATOM 657 CB LEU A 43 14.581 4.009 -8.761 1.00 0.00 C ATOM 658 CG LEU A 43 13.190 4.025 -9.485 1.00 0.00 C ATOM 659 CD1 LEU A 43 12.546 2.618 -9.528 1.00 0.00 C ATOM 660 CD2 LEU A 43 12.238 5.059 -8.831 1.00 0.00 C ATOM 0 H LEU A 43 17.434 3.915 -8.685 1.00 0.00 H new ATOM 0 HA LEU A 43 15.206 2.028 -9.277 1.00 0.00 H new ATOM 0 HB2 LEU A 43 14.416 3.768 -7.711 1.00 0.00 H new ATOM 0 HB3 LEU A 43 14.995 5.017 -8.796 1.00 0.00 H new ATOM 0 HG LEU A 43 13.363 4.329 -10.517 1.00 0.00 H new ATOM 0 HD11 LEU A 43 11.584 2.674 -10.038 1.00 0.00 H new ATOM 0 HD12 LEU A 43 13.203 1.934 -10.065 1.00 0.00 H new ATOM 0 HD13 LEU A 43 12.397 2.255 -8.511 1.00 0.00 H new ATOM 0 HD21 LEU A 43 11.280 5.051 -9.351 1.00 0.00 H new ATOM 0 HD22 LEU A 43 12.084 4.800 -7.783 1.00 0.00 H new ATOM 0 HD23 LEU A 43 12.679 6.053 -8.898 1.00 0.00 H new ATOM 672 N ALA A 44 16.077 2.287 -11.613 1.00 0.00 N ATOM 673 CA ALA A 44 16.489 2.360 -13.031 1.00 0.00 C ATOM 674 C ALA A 44 17.913 2.952 -13.176 1.00 0.00 C ATOM 675 O ALA A 44 18.226 3.634 -14.160 1.00 0.00 O ATOM 676 CB ALA A 44 15.441 3.130 -13.862 1.00 0.00 C ATOM 0 H ALA A 44 15.849 1.340 -11.312 1.00 0.00 H new ATOM 0 HA ALA A 44 16.536 1.347 -13.429 1.00 0.00 H new ATOM 0 HB1 ALA A 44 15.762 3.173 -14.903 1.00 0.00 H new ATOM 0 HB2 ALA A 44 14.480 2.619 -13.800 1.00 0.00 H new ATOM 0 HB3 ALA A 44 15.339 4.143 -13.471 1.00 0.00 H new ATOM 682 N GLY A 45 18.773 2.646 -12.176 1.00 0.00 N ATOM 683 CA GLY A 45 20.167 3.103 -12.144 1.00 0.00 C ATOM 684 C GLY A 45 20.380 4.327 -11.261 1.00 0.00 C ATOM 685 O GLY A 45 21.497 4.551 -10.777 1.00 0.00 O ATOM 0 H GLY A 45 18.512 2.075 -11.372 1.00 0.00 H new ATOM 0 HA2 GLY A 45 20.800 2.291 -11.786 1.00 0.00 H new ATOM 0 HA3 GLY A 45 20.489 3.335 -13.159 1.00 0.00 H new ATOM 689 N ALA A 46 19.308 5.110 -11.047 1.00 0.00 N ATOM 690 CA ALA A 46 19.370 6.378 -10.312 1.00 0.00 C ATOM 691 C ALA A 46 19.494 6.118 -8.793 1.00 0.00 C ATOM 692 O ALA A 46 18.604 5.480 -8.217 1.00 0.00 O ATOM 693 CB ALA A 46 18.121 7.214 -10.635 1.00 0.00 C ATOM 0 H ALA A 46 18.373 4.877 -11.382 1.00 0.00 H new ATOM 0 HA ALA A 46 20.254 6.936 -10.622 1.00 0.00 H new ATOM 0 HB1 ALA A 46 18.164 8.157 -10.090 1.00 0.00 H new ATOM 0 HB2 ALA A 46 18.084 7.415 -11.706 1.00 0.00 H new ATOM 0 HB3 ALA A 46 17.228 6.664 -10.338 1.00 0.00 H new ATOM 699 N PRO A 47 20.603 6.588 -8.126 1.00 0.00 N ATOM 700 CA PRO A 47 20.821 6.373 -6.674 1.00 0.00 C ATOM 701 C PRO A 47 19.779 7.119 -5.818 1.00 0.00 C ATOM 702 O PRO A 47 19.789 8.354 -5.751 1.00 0.00 O ATOM 703 CB PRO A 47 22.264 6.913 -6.425 1.00 0.00 C ATOM 704 CG PRO A 47 22.879 7.016 -7.790 1.00 0.00 C ATOM 705 CD PRO A 47 21.733 7.351 -8.715 1.00 0.00 C ATOM 0 HA PRO A 47 20.712 5.326 -6.391 1.00 0.00 H new ATOM 0 HB2 PRO A 47 22.243 7.882 -5.927 1.00 0.00 H new ATOM 0 HB3 PRO A 47 22.833 6.239 -5.785 1.00 0.00 H new ATOM 0 HG2 PRO A 47 23.647 7.789 -7.819 1.00 0.00 H new ATOM 0 HG3 PRO A 47 23.357 6.080 -8.078 1.00 0.00 H new ATOM 0 HD2 PRO A 47 21.530 8.422 -8.737 1.00 0.00 H new ATOM 0 HD3 PRO A 47 21.938 7.044 -9.741 1.00 0.00 H new ATOM 713 N LEU A 48 18.839 6.359 -5.242 1.00 0.00 N ATOM 714 CA LEU A 48 17.850 6.881 -4.290 1.00 0.00 C ATOM 715 C LEU A 48 18.542 7.262 -2.966 1.00 0.00 C ATOM 716 O LEU A 48 19.235 6.433 -2.358 1.00 0.00 O ATOM 717 CB LEU A 48 16.735 5.826 -4.057 1.00 0.00 C ATOM 718 CG LEU A 48 15.885 5.442 -5.310 1.00 0.00 C ATOM 719 CD1 LEU A 48 14.812 4.387 -4.958 1.00 0.00 C ATOM 720 CD2 LEU A 48 15.249 6.697 -5.957 1.00 0.00 C ATOM 0 H LEU A 48 18.743 5.360 -5.424 1.00 0.00 H new ATOM 0 HA LEU A 48 17.389 7.779 -4.701 1.00 0.00 H new ATOM 0 HB2 LEU A 48 17.196 4.920 -3.663 1.00 0.00 H new ATOM 0 HB3 LEU A 48 16.062 6.202 -3.287 1.00 0.00 H new ATOM 0 HG LEU A 48 16.557 4.995 -6.043 1.00 0.00 H new ATOM 0 HD11 LEU A 48 14.237 4.141 -5.851 1.00 0.00 H new ATOM 0 HD12 LEU A 48 15.297 3.487 -4.579 1.00 0.00 H new ATOM 0 HD13 LEU A 48 14.144 4.788 -4.196 1.00 0.00 H new ATOM 0 HD21 LEU A 48 14.663 6.400 -6.827 1.00 0.00 H new ATOM 0 HD22 LEU A 48 14.600 7.190 -5.233 1.00 0.00 H new ATOM 0 HD23 LEU A 48 16.036 7.385 -6.267 1.00 0.00 H new ATOM 732 N GLU A 49 18.364 8.528 -2.552 1.00 0.00 N ATOM 733 CA GLU A 49 19.019 9.090 -1.356 1.00 0.00 C ATOM 734 C GLU A 49 18.393 8.515 -0.075 1.00 0.00 C ATOM 735 O GLU A 49 17.168 8.502 0.063 1.00 0.00 O ATOM 736 CB GLU A 49 18.921 10.635 -1.376 1.00 0.00 C ATOM 737 CG GLU A 49 19.484 11.297 -2.655 1.00 0.00 C ATOM 738 CD GLU A 49 20.962 10.959 -2.941 1.00 0.00 C ATOM 739 OE1 GLU A 49 21.852 11.573 -2.314 1.00 0.00 O ATOM 740 OE2 GLU A 49 21.245 10.080 -3.788 1.00 0.00 O ATOM 0 H GLU A 49 17.761 9.192 -3.037 1.00 0.00 H new ATOM 0 HA GLU A 49 20.072 8.810 -1.367 1.00 0.00 H new ATOM 0 HB2 GLU A 49 17.875 10.922 -1.264 1.00 0.00 H new ATOM 0 HB3 GLU A 49 19.454 11.031 -0.512 1.00 0.00 H new ATOM 0 HG2 GLU A 49 18.880 10.987 -3.508 1.00 0.00 H new ATOM 0 HG3 GLU A 49 19.380 12.378 -2.567 1.00 0.00 H new ATOM 747 N ASP A 50 19.257 8.059 0.852 1.00 0.00 N ATOM 748 CA ASP A 50 18.849 7.348 2.087 1.00 0.00 C ATOM 749 C ASP A 50 17.905 8.187 2.978 1.00 0.00 C ATOM 750 O ASP A 50 16.966 7.653 3.577 1.00 0.00 O ATOM 751 CB ASP A 50 20.098 6.907 2.892 1.00 0.00 C ATOM 752 CG ASP A 50 20.933 8.095 3.407 1.00 0.00 C ATOM 753 OD1 ASP A 50 21.658 8.715 2.601 1.00 0.00 O ATOM 754 OD2 ASP A 50 20.851 8.427 4.609 1.00 0.00 O ATOM 0 H ASP A 50 20.267 8.173 0.768 1.00 0.00 H new ATOM 0 HA ASP A 50 18.288 6.468 1.774 1.00 0.00 H new ATOM 0 HB2 ASP A 50 19.781 6.298 3.739 1.00 0.00 H new ATOM 0 HB3 ASP A 50 20.725 6.275 2.262 1.00 0.00 H new ATOM 759 N GLU A 51 18.153 9.504 3.028 1.00 0.00 N ATOM 760 CA GLU A 51 17.396 10.433 3.884 1.00 0.00 C ATOM 761 C GLU A 51 15.995 10.704 3.303 1.00 0.00 C ATOM 762 O GLU A 51 15.061 11.029 4.043 1.00 0.00 O ATOM 763 CB GLU A 51 18.185 11.757 4.043 1.00 0.00 C ATOM 764 CG GLU A 51 18.488 12.491 2.716 1.00 0.00 C ATOM 765 CD GLU A 51 19.160 13.857 2.925 1.00 0.00 C ATOM 766 OE1 GLU A 51 20.404 13.923 2.975 1.00 0.00 O ATOM 767 OE2 GLU A 51 18.441 14.870 3.061 1.00 0.00 O ATOM 0 H GLU A 51 18.883 9.956 2.477 1.00 0.00 H new ATOM 0 HA GLU A 51 17.265 9.975 4.865 1.00 0.00 H new ATOM 0 HB2 GLU A 51 17.619 12.426 4.692 1.00 0.00 H new ATOM 0 HB3 GLU A 51 19.127 11.544 4.548 1.00 0.00 H new ATOM 0 HG2 GLU A 51 19.134 11.865 2.100 1.00 0.00 H new ATOM 0 HG3 GLU A 51 17.559 12.630 2.164 1.00 0.00 H new ATOM 774 N ALA A 52 15.866 10.552 1.972 1.00 0.00 N ATOM 775 CA ALA A 52 14.604 10.764 1.250 1.00 0.00 C ATOM 776 C ALA A 52 13.655 9.569 1.455 1.00 0.00 C ATOM 777 O ALA A 52 14.101 8.411 1.463 1.00 0.00 O ATOM 778 CB ALA A 52 14.885 10.995 -0.246 1.00 0.00 C ATOM 0 H ALA A 52 16.640 10.277 1.367 1.00 0.00 H new ATOM 0 HA ALA A 52 14.114 11.652 1.650 1.00 0.00 H new ATOM 0 HB1 ALA A 52 13.944 11.151 -0.773 1.00 0.00 H new ATOM 0 HB2 ALA A 52 15.518 11.874 -0.366 1.00 0.00 H new ATOM 0 HB3 ALA A 52 15.392 10.123 -0.660 1.00 0.00 H new ATOM 784 N THR A 53 12.352 9.858 1.640 1.00 0.00 N ATOM 785 CA THR A 53 11.322 8.818 1.799 1.00 0.00 C ATOM 786 C THR A 53 10.848 8.307 0.429 1.00 0.00 C ATOM 787 O THR A 53 11.161 8.897 -0.613 1.00 0.00 O ATOM 788 CB THR A 53 10.092 9.338 2.615 1.00 0.00 C ATOM 789 OG1 THR A 53 9.420 10.367 1.884 1.00 0.00 O ATOM 790 CG2 THR A 53 10.503 9.881 3.992 1.00 0.00 C ATOM 0 H THR A 53 11.988 10.810 1.683 1.00 0.00 H new ATOM 0 HA THR A 53 11.780 7.999 2.353 1.00 0.00 H new ATOM 0 HB THR A 53 9.424 8.491 2.771 1.00 0.00 H new ATOM 0 HG1 THR A 53 8.651 10.686 2.400 1.00 0.00 H new ATOM 0 HG21 THR A 53 9.618 10.231 4.524 1.00 0.00 H new ATOM 0 HG22 THR A 53 10.982 9.089 4.567 1.00 0.00 H new ATOM 0 HG23 THR A 53 11.200 10.709 3.863 1.00 0.00 H new ATOM 798 N LEU A 54 10.062 7.224 0.449 1.00 0.00 N ATOM 799 CA LEU A 54 9.466 6.622 -0.751 1.00 0.00 C ATOM 800 C LEU A 54 8.319 7.515 -1.287 1.00 0.00 C ATOM 801 O LEU A 54 8.018 7.511 -2.493 1.00 0.00 O ATOM 802 CB LEU A 54 8.998 5.162 -0.422 1.00 0.00 C ATOM 803 CG LEU A 54 10.091 4.033 -0.571 1.00 0.00 C ATOM 804 CD1 LEU A 54 11.363 4.320 0.254 1.00 0.00 C ATOM 805 CD2 LEU A 54 9.512 2.645 -0.227 1.00 0.00 C ATOM 0 H LEU A 54 9.819 6.734 1.310 1.00 0.00 H new ATOM 0 HA LEU A 54 10.207 6.557 -1.548 1.00 0.00 H new ATOM 0 HB2 LEU A 54 8.623 5.144 0.601 1.00 0.00 H new ATOM 0 HB3 LEU A 54 8.159 4.916 -1.073 1.00 0.00 H new ATOM 0 HG LEU A 54 10.390 4.031 -1.619 1.00 0.00 H new ATOM 0 HD11 LEU A 54 12.079 3.510 0.113 1.00 0.00 H new ATOM 0 HD12 LEU A 54 11.807 5.259 -0.077 1.00 0.00 H new ATOM 0 HD13 LEU A 54 11.103 4.394 1.310 1.00 0.00 H new ATOM 0 HD21 LEU A 54 10.289 1.889 -0.339 1.00 0.00 H new ATOM 0 HD22 LEU A 54 9.152 2.646 0.802 1.00 0.00 H new ATOM 0 HD23 LEU A 54 8.685 2.419 -0.900 1.00 0.00 H new ATOM 817 N GLY A 55 7.705 8.291 -0.370 1.00 0.00 N ATOM 818 CA GLY A 55 6.716 9.308 -0.721 1.00 0.00 C ATOM 819 C GLY A 55 7.345 10.489 -1.457 1.00 0.00 C ATOM 820 O GLY A 55 6.802 10.965 -2.465 1.00 0.00 O ATOM 0 H GLY A 55 7.887 8.223 0.631 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.943 8.861 -1.346 1.00 0.00 H new ATOM 0 HA3 GLY A 55 6.226 9.665 0.185 1.00 0.00 H new ATOM 824 N GLN A 56 8.517 10.942 -0.961 1.00 0.00 N ATOM 825 CA GLN A 56 9.308 12.015 -1.602 1.00 0.00 C ATOM 826 C GLN A 56 9.812 11.569 -2.986 1.00 0.00 C ATOM 827 O GLN A 56 9.813 12.357 -3.929 1.00 0.00 O ATOM 828 CB GLN A 56 10.504 12.436 -0.701 1.00 0.00 C ATOM 829 CG GLN A 56 10.106 13.171 0.596 1.00 0.00 C ATOM 830 CD GLN A 56 9.425 14.530 0.362 1.00 0.00 C ATOM 831 OE1 GLN A 56 9.702 15.231 -0.614 1.00 0.00 O ATOM 832 NE2 GLN A 56 8.538 14.917 1.262 1.00 0.00 N ATOM 0 H GLN A 56 8.940 10.576 -0.108 1.00 0.00 H new ATOM 0 HA GLN A 56 8.656 12.879 -1.733 1.00 0.00 H new ATOM 0 HB2 GLN A 56 11.074 11.545 -0.437 1.00 0.00 H new ATOM 0 HB3 GLN A 56 11.167 13.080 -1.278 1.00 0.00 H new ATOM 0 HG2 GLN A 56 9.434 12.534 1.171 1.00 0.00 H new ATOM 0 HG3 GLN A 56 10.998 13.323 1.203 1.00 0.00 H new ATOM 0 HE21 GLN A 56 8.327 14.318 2.060 1.00 0.00 H new ATOM 0 HE22 GLN A 56 8.064 15.814 1.158 1.00 0.00 H new ATOM 841 N CYS A 57 10.221 10.287 -3.078 1.00 0.00 N ATOM 842 CA CYS A 57 10.638 9.652 -4.341 1.00 0.00 C ATOM 843 C CYS A 57 9.474 9.581 -5.345 1.00 0.00 C ATOM 844 O CYS A 57 9.687 9.648 -6.559 1.00 0.00 O ATOM 845 CB CYS A 57 11.183 8.235 -4.067 1.00 0.00 C ATOM 846 SG CYS A 57 11.703 7.329 -5.548 1.00 0.00 S ATOM 0 H CYS A 57 10.271 9.662 -2.273 1.00 0.00 H new ATOM 0 HA CYS A 57 11.426 10.265 -4.780 1.00 0.00 H new ATOM 0 HB2 CYS A 57 12.031 8.311 -3.387 1.00 0.00 H new ATOM 0 HB3 CYS A 57 10.414 7.657 -3.554 1.00 0.00 H new ATOM 0 HG CYS A 57 11.133 7.847 -6.596 1.00 0.00 H new ATOM 852 N GLY A 58 8.245 9.450 -4.805 1.00 0.00 N ATOM 853 CA GLY A 58 7.033 9.318 -5.614 1.00 0.00 C ATOM 854 C GLY A 58 6.884 7.925 -6.206 1.00 0.00 C ATOM 855 O GLY A 58 6.210 7.741 -7.229 1.00 0.00 O ATOM 0 H GLY A 58 8.073 9.434 -3.800 1.00 0.00 H new ATOM 0 HA2 GLY A 58 6.162 9.544 -4.999 1.00 0.00 H new ATOM 0 HA3 GLY A 58 7.054 10.052 -6.419 1.00 0.00 H new ATOM 859 N VAL A 59 7.521 6.937 -5.553 1.00 0.00 N ATOM 860 CA VAL A 59 7.480 5.535 -5.985 1.00 0.00 C ATOM 861 C VAL A 59 6.148 4.894 -5.535 1.00 0.00 C ATOM 862 O VAL A 59 5.572 5.292 -4.512 1.00 0.00 O ATOM 863 CB VAL A 59 8.729 4.733 -5.455 1.00 0.00 C ATOM 864 CG1 VAL A 59 8.755 4.646 -3.926 1.00 0.00 C ATOM 865 CG2 VAL A 59 8.820 3.331 -6.084 1.00 0.00 C ATOM 0 H VAL A 59 8.077 7.091 -4.712 1.00 0.00 H new ATOM 0 HA VAL A 59 7.529 5.498 -7.073 1.00 0.00 H new ATOM 0 HB VAL A 59 9.609 5.296 -5.766 1.00 0.00 H new ATOM 0 HG11 VAL A 59 9.634 4.084 -3.608 1.00 0.00 H new ATOM 0 HG12 VAL A 59 8.795 5.651 -3.505 1.00 0.00 H new ATOM 0 HG13 VAL A 59 7.855 4.141 -3.575 1.00 0.00 H new ATOM 0 HG21 VAL A 59 9.695 2.812 -5.692 1.00 0.00 H new ATOM 0 HG22 VAL A 59 7.922 2.764 -5.840 1.00 0.00 H new ATOM 0 HG23 VAL A 59 8.908 3.423 -7.167 1.00 0.00 H new ATOM 875 N GLU A 60 5.665 3.908 -6.306 1.00 0.00 N ATOM 876 CA GLU A 60 4.306 3.352 -6.156 1.00 0.00 C ATOM 877 C GLU A 60 4.342 1.817 -6.019 1.00 0.00 C ATOM 878 O GLU A 60 5.419 1.215 -5.879 1.00 0.00 O ATOM 879 CB GLU A 60 3.454 3.797 -7.377 1.00 0.00 C ATOM 880 CG GLU A 60 4.057 3.417 -8.749 1.00 0.00 C ATOM 881 CD GLU A 60 3.267 3.983 -9.938 1.00 0.00 C ATOM 882 OE1 GLU A 60 3.457 5.172 -10.274 1.00 0.00 O ATOM 883 OE2 GLU A 60 2.454 3.255 -10.541 1.00 0.00 O ATOM 0 H GLU A 60 6.205 3.471 -7.053 1.00 0.00 H new ATOM 0 HA GLU A 60 3.852 3.733 -5.241 1.00 0.00 H new ATOM 0 HB2 GLU A 60 2.462 3.352 -7.294 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.323 4.878 -7.338 1.00 0.00 H new ATOM 0 HG2 GLU A 60 5.084 3.778 -8.799 1.00 0.00 H new ATOM 0 HG3 GLU A 60 4.097 2.331 -8.832 1.00 0.00 H new ATOM 890 N ALA A 61 3.148 1.201 -6.052 1.00 0.00 N ATOM 891 CA ALA A 61 2.985 -0.253 -5.951 1.00 0.00 C ATOM 892 C ALA A 61 3.529 -0.970 -7.207 1.00 0.00 C ATOM 893 O ALA A 61 3.627 -0.371 -8.286 1.00 0.00 O ATOM 894 CB ALA A 61 1.503 -0.586 -5.731 1.00 0.00 C ATOM 0 H ALA A 61 2.266 1.704 -6.150 1.00 0.00 H new ATOM 0 HA ALA A 61 3.564 -0.611 -5.100 1.00 0.00 H new ATOM 0 HB1 ALA A 61 1.380 -1.666 -5.656 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.157 -0.116 -4.810 1.00 0.00 H new ATOM 0 HB3 ALA A 61 0.917 -0.212 -6.571 1.00 0.00 H new ATOM 900 N LEU A 62 3.912 -2.246 -7.009 1.00 0.00 N ATOM 901 CA LEU A 62 4.452 -3.168 -8.038 1.00 0.00 C ATOM 902 C LEU A 62 5.794 -2.706 -8.658 1.00 0.00 C ATOM 903 O LEU A 62 6.332 -3.402 -9.522 1.00 0.00 O ATOM 904 CB LEU A 62 3.400 -3.505 -9.149 1.00 0.00 C ATOM 905 CG LEU A 62 2.176 -4.400 -8.727 1.00 0.00 C ATOM 906 CD1 LEU A 62 2.631 -5.657 -7.953 1.00 0.00 C ATOM 907 CD2 LEU A 62 1.110 -3.610 -7.936 1.00 0.00 C ATOM 0 H LEU A 62 3.853 -2.685 -6.090 1.00 0.00 H new ATOM 0 HA LEU A 62 4.673 -4.087 -7.496 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.013 -2.566 -9.544 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.919 -4.005 -9.967 1.00 0.00 H new ATOM 0 HG LEU A 62 1.702 -4.730 -9.651 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.759 -6.251 -7.678 1.00 0.00 H new ATOM 0 HD12 LEU A 62 3.292 -6.253 -8.583 1.00 0.00 H new ATOM 0 HD13 LEU A 62 3.164 -5.356 -7.051 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.288 -4.274 -7.670 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.557 -3.204 -7.029 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.732 -2.793 -8.551 1.00 0.00 H new ATOM 919 N THR A 63 6.343 -1.563 -8.197 1.00 0.00 N ATOM 920 CA THR A 63 7.624 -1.038 -8.689 1.00 0.00 C ATOM 921 C THR A 63 8.776 -1.913 -8.157 1.00 0.00 C ATOM 922 O THR A 63 8.665 -2.480 -7.080 1.00 0.00 O ATOM 923 CB THR A 63 7.807 0.454 -8.247 1.00 0.00 C ATOM 924 OG1 THR A 63 6.658 1.223 -8.649 1.00 0.00 O ATOM 925 CG2 THR A 63 9.069 1.099 -8.850 1.00 0.00 C ATOM 0 H THR A 63 5.910 -0.984 -7.477 1.00 0.00 H new ATOM 0 HA THR A 63 7.633 -1.069 -9.779 1.00 0.00 H new ATOM 0 HB THR A 63 7.916 0.453 -7.162 1.00 0.00 H new ATOM 0 HG1 THR A 63 6.069 1.359 -7.877 1.00 0.00 H new ATOM 0 HG21 THR A 63 9.147 2.132 -8.511 1.00 0.00 H new ATOM 0 HG22 THR A 63 9.950 0.544 -8.528 1.00 0.00 H new ATOM 0 HG23 THR A 63 9.004 1.078 -9.938 1.00 0.00 H new ATOM 933 N THR A 64 9.855 -2.057 -8.924 1.00 0.00 N ATOM 934 CA THR A 64 11.005 -2.878 -8.524 1.00 0.00 C ATOM 935 C THR A 64 12.229 -1.986 -8.293 1.00 0.00 C ATOM 936 O THR A 64 12.832 -1.489 -9.244 1.00 0.00 O ATOM 937 CB THR A 64 11.306 -3.983 -9.590 1.00 0.00 C ATOM 938 OG1 THR A 64 10.111 -4.755 -9.810 1.00 0.00 O ATOM 939 CG2 THR A 64 12.449 -4.932 -9.155 1.00 0.00 C ATOM 0 H THR A 64 9.960 -1.612 -9.836 1.00 0.00 H new ATOM 0 HA THR A 64 10.763 -3.384 -7.590 1.00 0.00 H new ATOM 0 HB THR A 64 11.627 -3.483 -10.504 1.00 0.00 H new ATOM 0 HG1 THR A 64 10.289 -5.450 -10.478 1.00 0.00 H new ATOM 0 HG21 THR A 64 12.617 -5.679 -9.931 1.00 0.00 H new ATOM 0 HG22 THR A 64 13.362 -4.356 -9.003 1.00 0.00 H new ATOM 0 HG23 THR A 64 12.175 -5.430 -8.225 1.00 0.00 H new ATOM 947 N LEU A 65 12.547 -1.753 -7.013 1.00 0.00 N ATOM 948 CA LEU A 65 13.793 -1.095 -6.592 1.00 0.00 C ATOM 949 C LEU A 65 14.943 -2.123 -6.667 1.00 0.00 C ATOM 950 O LEU A 65 14.688 -3.315 -6.846 1.00 0.00 O ATOM 951 CB LEU A 65 13.634 -0.547 -5.145 1.00 0.00 C ATOM 952 CG LEU A 65 12.409 0.399 -4.890 1.00 0.00 C ATOM 953 CD1 LEU A 65 12.374 0.890 -3.424 1.00 0.00 C ATOM 954 CD2 LEU A 65 12.397 1.590 -5.874 1.00 0.00 C ATOM 0 H LEU A 65 11.943 -2.017 -6.234 1.00 0.00 H new ATOM 0 HA LEU A 65 14.019 -0.255 -7.249 1.00 0.00 H new ATOM 0 HB2 LEU A 65 13.559 -1.395 -4.464 1.00 0.00 H new ATOM 0 HB3 LEU A 65 14.544 -0.007 -4.882 1.00 0.00 H new ATOM 0 HG LEU A 65 11.506 -0.185 -5.069 1.00 0.00 H new ATOM 0 HD11 LEU A 65 11.514 1.543 -3.280 1.00 0.00 H new ATOM 0 HD12 LEU A 65 12.295 0.033 -2.755 1.00 0.00 H new ATOM 0 HD13 LEU A 65 13.289 1.440 -3.203 1.00 0.00 H new ATOM 0 HD21 LEU A 65 11.535 2.224 -5.668 1.00 0.00 H new ATOM 0 HD22 LEU A 65 13.311 2.171 -5.753 1.00 0.00 H new ATOM 0 HD23 LEU A 65 12.337 1.217 -6.896 1.00 0.00 H new ATOM 966 N GLU A 66 16.193 -1.676 -6.523 1.00 0.00 N ATOM 967 CA GLU A 66 17.370 -2.576 -6.558 1.00 0.00 C ATOM 968 C GLU A 66 18.346 -2.207 -5.431 1.00 0.00 C ATOM 969 O GLU A 66 18.334 -1.085 -4.950 1.00 0.00 O ATOM 970 CB GLU A 66 18.059 -2.496 -7.949 1.00 0.00 C ATOM 971 CG GLU A 66 19.207 -3.508 -8.171 1.00 0.00 C ATOM 972 CD GLU A 66 19.838 -3.418 -9.569 1.00 0.00 C ATOM 973 OE1 GLU A 66 19.268 -3.992 -10.523 1.00 0.00 O ATOM 974 OE2 GLU A 66 20.904 -2.777 -9.720 1.00 0.00 O ATOM 0 H GLU A 66 16.426 -0.693 -6.380 1.00 0.00 H new ATOM 0 HA GLU A 66 17.044 -3.604 -6.401 1.00 0.00 H new ATOM 0 HB2 GLU A 66 17.305 -2.651 -8.720 1.00 0.00 H new ATOM 0 HB3 GLU A 66 18.452 -1.489 -8.085 1.00 0.00 H new ATOM 0 HG2 GLU A 66 19.979 -3.340 -7.420 1.00 0.00 H new ATOM 0 HG3 GLU A 66 18.826 -4.518 -8.017 1.00 0.00 H new ATOM 981 N VAL A 67 19.161 -3.177 -4.996 1.00 0.00 N ATOM 982 CA VAL A 67 20.215 -2.983 -3.991 1.00 0.00 C ATOM 983 C VAL A 67 21.571 -3.349 -4.613 1.00 0.00 C ATOM 984 O VAL A 67 21.727 -4.443 -5.171 1.00 0.00 O ATOM 985 CB VAL A 67 19.937 -3.852 -2.701 1.00 0.00 C ATOM 986 CG1 VAL A 67 21.150 -3.903 -1.744 1.00 0.00 C ATOM 987 CG2 VAL A 67 18.688 -3.336 -1.949 1.00 0.00 C ATOM 0 H VAL A 67 19.105 -4.136 -5.339 1.00 0.00 H new ATOM 0 HA VAL A 67 20.227 -1.938 -3.682 1.00 0.00 H new ATOM 0 HB VAL A 67 19.754 -4.869 -3.047 1.00 0.00 H new ATOM 0 HG11 VAL A 67 20.903 -4.513 -0.875 1.00 0.00 H new ATOM 0 HG12 VAL A 67 22.004 -4.339 -2.262 1.00 0.00 H new ATOM 0 HG13 VAL A 67 21.400 -2.893 -1.419 1.00 0.00 H new ATOM 0 HG21 VAL A 67 18.516 -3.950 -1.065 1.00 0.00 H new ATOM 0 HG22 VAL A 67 18.847 -2.301 -1.647 1.00 0.00 H new ATOM 0 HG23 VAL A 67 17.819 -3.393 -2.605 1.00 0.00 H new ATOM 997 N ALA A 68 22.532 -2.418 -4.529 1.00 0.00 N ATOM 998 CA ALA A 68 23.908 -2.621 -5.007 1.00 0.00 C ATOM 999 C ALA A 68 24.904 -2.291 -3.883 1.00 0.00 C ATOM 1000 O ALA A 68 24.668 -1.370 -3.098 1.00 0.00 O ATOM 1001 CB ALA A 68 24.168 -1.751 -6.246 1.00 0.00 C ATOM 0 H ALA A 68 22.375 -1.495 -4.124 1.00 0.00 H new ATOM 0 HA ALA A 68 24.043 -3.665 -5.290 1.00 0.00 H new ATOM 0 HB1 ALA A 68 25.189 -1.908 -6.593 1.00 0.00 H new ATOM 0 HB2 ALA A 68 23.470 -2.026 -7.037 1.00 0.00 H new ATOM 0 HB3 ALA A 68 24.029 -0.701 -5.989 1.00 0.00 H new ATOM 1007 N GLY A 69 25.999 -3.062 -3.791 1.00 0.00 N ATOM 1008 CA GLY A 69 27.057 -2.796 -2.816 1.00 0.00 C ATOM 1009 C GLY A 69 28.081 -1.816 -3.368 1.00 0.00 C ATOM 1010 O GLY A 69 29.057 -2.221 -4.003 1.00 0.00 O ATOM 0 H GLY A 69 26.171 -3.875 -4.383 1.00 0.00 H new ATOM 0 HA2 GLY A 69 26.620 -2.393 -1.902 1.00 0.00 H new ATOM 0 HA3 GLY A 69 27.551 -3.730 -2.548 1.00 0.00 H new ATOM 1014 N ARG A 70 27.836 -0.514 -3.142 1.00 0.00 N ATOM 1015 CA ARG A 70 28.690 0.589 -3.649 1.00 0.00 C ATOM 1016 C ARG A 70 29.048 1.568 -2.513 1.00 0.00 C ATOM 1017 O ARG A 70 29.696 2.597 -2.751 1.00 0.00 O ATOM 1018 CB ARG A 70 27.958 1.354 -4.788 1.00 0.00 C ATOM 1019 CG ARG A 70 27.681 0.534 -6.070 1.00 0.00 C ATOM 1020 CD ARG A 70 26.906 1.341 -7.127 1.00 0.00 C ATOM 1021 NE ARG A 70 27.582 2.614 -7.456 1.00 0.00 N ATOM 1022 CZ ARG A 70 27.099 3.562 -8.272 1.00 0.00 C ATOM 1023 NH1 ARG A 70 25.954 3.389 -8.926 1.00 0.00 N ATOM 1024 NH2 ARG A 70 27.786 4.682 -8.456 1.00 0.00 N ATOM 0 H ARG A 70 27.036 -0.189 -2.599 1.00 0.00 H new ATOM 0 HA ARG A 70 29.610 0.155 -4.040 1.00 0.00 H new ATOM 0 HB2 ARG A 70 27.008 1.723 -4.402 1.00 0.00 H new ATOM 0 HB3 ARG A 70 28.554 2.226 -5.057 1.00 0.00 H new ATOM 0 HG2 ARG A 70 28.627 0.198 -6.495 1.00 0.00 H new ATOM 0 HG3 ARG A 70 27.113 -0.360 -5.811 1.00 0.00 H new ATOM 0 HD2 ARG A 70 26.798 0.743 -8.032 1.00 0.00 H new ATOM 0 HD3 ARG A 70 25.901 1.548 -6.760 1.00 0.00 H new ATOM 0 HE ARG A 70 28.491 2.785 -7.027 1.00 0.00 H new ATOM 0 HH11 ARG A 70 25.427 2.523 -8.811 1.00 0.00 H new ATOM 0 HH12 ARG A 70 25.603 4.122 -9.542 1.00 0.00 H new ATOM 0 HH21 ARG A 70 28.677 4.818 -7.978 1.00 0.00 H new ATOM 0 HH22 ARG A 70 27.424 5.407 -9.076 1.00 0.00 H new ATOM 1038 N MET A 71 28.644 1.230 -1.280 1.00 0.00 N ATOM 1039 CA MET A 71 28.730 2.136 -0.120 1.00 0.00 C ATOM 1040 C MET A 71 29.524 1.448 1.010 1.00 0.00 C ATOM 1041 O MET A 71 29.519 0.216 1.103 1.00 0.00 O ATOM 1042 CB MET A 71 27.275 2.498 0.301 1.00 0.00 C ATOM 1043 CG MET A 71 27.126 3.595 1.363 1.00 0.00 C ATOM 1044 SD MET A 71 25.416 4.168 1.516 1.00 0.00 S ATOM 1045 CE MET A 71 25.117 4.834 -0.129 1.00 0.00 C ATOM 0 H MET A 71 28.247 0.318 -1.056 1.00 0.00 H new ATOM 0 HA MET A 71 29.262 3.057 -0.360 1.00 0.00 H new ATOM 0 HB2 MET A 71 26.729 2.808 -0.590 1.00 0.00 H new ATOM 0 HB3 MET A 71 26.792 1.594 0.673 1.00 0.00 H new ATOM 0 HG2 MET A 71 27.468 3.215 2.326 1.00 0.00 H new ATOM 0 HG3 MET A 71 27.768 4.437 1.106 1.00 0.00 H new ATOM 0 HE1 MET A 71 24.784 5.869 -0.048 1.00 0.00 H new ATOM 0 HE2 MET A 71 26.038 4.794 -0.711 1.00 0.00 H new ATOM 0 HE3 MET A 71 24.348 4.243 -0.627 1.00 0.00 H new