USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 528 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 16 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 18 GLN : amide:sc= -0.48 K(o=-0.48,f=-2.5!) USER MOD Set 2.1: A 2 GLN : amide:sc= 0.134 X(o=0.83,f=0.55) USER MOD Set 2.2: A 12 THR OG1 : rot 19:sc= 0.692 USER MOD Single : A 1 MET CE :methyl 143:sc= -1.36 (180deg=-2.69!) USER MOD Single : A 1 MET N :NH3+ -167:sc= 0.473 (180deg=0.379) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 HIS : no HE2:sc= -3.47! C(o=-3.5!,f=-6.8!) USER MOD Single : A 20 THR OG1 : rot -170:sc= -1.3 USER MOD Single : A 23 GLN :FLIP amide:sc= -0.249 F(o=-1.1,f=-0.25) USER MOD Single : A 25 LYS NZ :NH3+ 174:sc= -0.556 (180deg=-0.62) USER MOD Single : A 27 HIS : no HD1:sc= 0.473 K(o=0.47,f=-1.6!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.696 K(o=-0.7,f=-3.8!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.083 USER MOD Single : A 56 GLN : amide:sc=-0.00868 X(o=-0.0087,f=-0.2) USER MOD Single : A 57 CYS SG : rot 76:sc= 0.365 USER MOD Single : A 63 THR OG1 : rot 105:sc= 0.305 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl 165:sc= -0.0469 (180deg=-0.367) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.007 -0.332 -0.027 1.00 0.00 N ATOM 2 CA MET A 1 1.965 -0.147 -1.139 1.00 0.00 C ATOM 3 C MET A 1 3.026 -1.263 -1.082 1.00 0.00 C ATOM 4 O MET A 1 4.064 -1.118 -0.427 1.00 0.00 O ATOM 5 CB MET A 1 2.619 1.266 -1.044 1.00 0.00 C ATOM 6 CG MET A 1 3.684 1.577 -2.111 1.00 0.00 C ATOM 7 SD MET A 1 4.570 3.110 -1.755 1.00 0.00 S ATOM 8 CE MET A 1 5.809 3.103 -3.045 1.00 0.00 C ATOM 0 H1 MET A 1 0.174 0.272 -0.182 1.00 0.00 H new ATOM 0 H2 MET A 1 0.710 -1.328 0.013 1.00 0.00 H new ATOM 0 H3 MET A 1 1.462 -0.070 0.871 1.00 0.00 H new ATOM 0 HA MET A 1 1.447 -0.211 -2.096 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.832 2.017 -1.112 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.075 1.371 -0.059 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.394 0.752 -2.166 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.207 1.652 -3.088 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.973 4.121 -3.397 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.742 2.700 -2.651 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.468 2.483 -3.874 1.00 0.00 H new ATOM 18 N GLN A 2 2.726 -2.409 -1.712 1.00 0.00 N ATOM 19 CA GLN A 2 3.675 -3.526 -1.825 1.00 0.00 C ATOM 20 C GLN A 2 4.578 -3.293 -3.042 1.00 0.00 C ATOM 21 O GLN A 2 4.079 -3.064 -4.147 1.00 0.00 O ATOM 22 CB GLN A 2 2.927 -4.885 -1.968 1.00 0.00 C ATOM 23 CG GLN A 2 3.854 -6.121 -2.067 1.00 0.00 C ATOM 24 CD GLN A 2 3.133 -7.427 -2.425 1.00 0.00 C ATOM 25 OE1 GLN A 2 1.969 -7.633 -2.081 1.00 0.00 O ATOM 26 NE2 GLN A 2 3.818 -8.317 -3.127 1.00 0.00 N ATOM 0 H GLN A 2 1.824 -2.587 -2.155 1.00 0.00 H new ATOM 0 HA GLN A 2 4.277 -3.570 -0.918 1.00 0.00 H new ATOM 0 HB2 GLN A 2 2.264 -5.012 -1.112 1.00 0.00 H new ATOM 0 HB3 GLN A 2 2.297 -4.847 -2.857 1.00 0.00 H new ATOM 0 HG2 GLN A 2 4.620 -5.926 -2.817 1.00 0.00 H new ATOM 0 HG3 GLN A 2 4.367 -6.253 -1.114 1.00 0.00 H new ATOM 0 HE21 GLN A 2 4.781 -8.120 -3.399 1.00 0.00 H new ATOM 0 HE22 GLN A 2 3.382 -9.199 -3.396 1.00 0.00 H new ATOM 35 N LEU A 3 5.898 -3.358 -2.826 1.00 0.00 N ATOM 36 CA LEU A 3 6.904 -3.195 -3.890 1.00 0.00 C ATOM 37 C LEU A 3 7.989 -4.268 -3.718 1.00 0.00 C ATOM 38 O LEU A 3 8.062 -4.921 -2.673 1.00 0.00 O ATOM 39 CB LEU A 3 7.484 -1.737 -3.897 1.00 0.00 C ATOM 40 CG LEU A 3 8.309 -1.234 -2.641 1.00 0.00 C ATOM 41 CD1 LEU A 3 9.784 -1.725 -2.648 1.00 0.00 C ATOM 42 CD2 LEU A 3 8.273 0.307 -2.540 1.00 0.00 C ATOM 0 H LEU A 3 6.303 -3.526 -1.905 1.00 0.00 H new ATOM 0 HA LEU A 3 6.441 -3.336 -4.867 1.00 0.00 H new ATOM 0 HB2 LEU A 3 8.126 -1.642 -4.772 1.00 0.00 H new ATOM 0 HB3 LEU A 3 6.649 -1.051 -4.039 1.00 0.00 H new ATOM 0 HG LEU A 3 7.825 -1.669 -1.767 1.00 0.00 H new ATOM 0 HD11 LEU A 3 10.297 -1.348 -1.763 1.00 0.00 H new ATOM 0 HD12 LEU A 3 9.805 -2.815 -2.643 1.00 0.00 H new ATOM 0 HD13 LEU A 3 10.286 -1.357 -3.543 1.00 0.00 H new ATOM 0 HD21 LEU A 3 8.846 0.628 -1.670 1.00 0.00 H new ATOM 0 HD22 LEU A 3 8.707 0.741 -3.441 1.00 0.00 H new ATOM 0 HD23 LEU A 3 7.240 0.641 -2.438 1.00 0.00 H new ATOM 54 N PHE A 4 8.838 -4.441 -4.736 1.00 0.00 N ATOM 55 CA PHE A 4 9.903 -5.460 -4.732 1.00 0.00 C ATOM 56 C PHE A 4 11.268 -4.782 -4.612 1.00 0.00 C ATOM 57 O PHE A 4 11.454 -3.647 -5.053 1.00 0.00 O ATOM 58 CB PHE A 4 9.811 -6.343 -6.006 1.00 0.00 C ATOM 59 CG PHE A 4 8.492 -7.120 -6.101 1.00 0.00 C ATOM 60 CD1 PHE A 4 7.366 -6.564 -6.716 1.00 0.00 C ATOM 61 CD2 PHE A 4 8.378 -8.399 -5.558 1.00 0.00 C ATOM 62 CE1 PHE A 4 6.180 -7.269 -6.792 1.00 0.00 C ATOM 63 CE2 PHE A 4 7.189 -9.102 -5.635 1.00 0.00 C ATOM 64 CZ PHE A 4 6.092 -8.536 -6.251 1.00 0.00 C ATOM 0 H PHE A 4 8.810 -3.881 -5.588 1.00 0.00 H new ATOM 0 HA PHE A 4 9.774 -6.115 -3.870 1.00 0.00 H new ATOM 0 HB2 PHE A 4 9.919 -5.712 -6.888 1.00 0.00 H new ATOM 0 HB3 PHE A 4 10.643 -7.047 -6.014 1.00 0.00 H new ATOM 0 HD1 PHE A 4 7.424 -5.571 -7.137 1.00 0.00 H new ATOM 0 HD2 PHE A 4 9.231 -8.848 -5.070 1.00 0.00 H new ATOM 0 HE1 PHE A 4 5.321 -6.828 -7.275 1.00 0.00 H new ATOM 0 HE2 PHE A 4 7.120 -10.094 -5.213 1.00 0.00 H new ATOM 0 HZ PHE A 4 5.164 -9.085 -6.310 1.00 0.00 H new ATOM 74 N VAL A 5 12.193 -5.485 -3.954 1.00 0.00 N ATOM 75 CA VAL A 5 13.586 -5.084 -3.779 1.00 0.00 C ATOM 76 C VAL A 5 14.476 -6.189 -4.363 1.00 0.00 C ATOM 77 O VAL A 5 14.550 -7.310 -3.825 1.00 0.00 O ATOM 78 CB VAL A 5 13.933 -4.785 -2.268 1.00 0.00 C ATOM 79 CG1 VAL A 5 15.453 -4.597 -2.049 1.00 0.00 C ATOM 80 CG2 VAL A 5 13.160 -3.535 -1.779 1.00 0.00 C ATOM 0 H VAL A 5 11.982 -6.381 -3.514 1.00 0.00 H new ATOM 0 HA VAL A 5 13.765 -4.149 -4.309 1.00 0.00 H new ATOM 0 HB VAL A 5 13.624 -5.651 -1.683 1.00 0.00 H new ATOM 0 HG11 VAL A 5 15.646 -4.393 -0.996 1.00 0.00 H new ATOM 0 HG12 VAL A 5 15.978 -5.505 -2.345 1.00 0.00 H new ATOM 0 HG13 VAL A 5 15.807 -3.760 -2.651 1.00 0.00 H new ATOM 0 HG21 VAL A 5 13.408 -3.339 -0.736 1.00 0.00 H new ATOM 0 HG22 VAL A 5 13.439 -2.674 -2.386 1.00 0.00 H new ATOM 0 HG23 VAL A 5 12.088 -3.711 -1.871 1.00 0.00 H new ATOM 90 N ARG A 6 15.101 -5.855 -5.501 1.00 0.00 N ATOM 91 CA ARG A 6 15.973 -6.743 -6.262 1.00 0.00 C ATOM 92 C ARG A 6 17.362 -6.785 -5.608 1.00 0.00 C ATOM 93 O ARG A 6 18.231 -5.951 -5.867 1.00 0.00 O ATOM 94 CB ARG A 6 16.031 -6.253 -7.737 1.00 0.00 C ATOM 95 CG ARG A 6 16.969 -7.036 -8.676 1.00 0.00 C ATOM 96 CD ARG A 6 16.894 -6.522 -10.126 1.00 0.00 C ATOM 97 NE ARG A 6 17.976 -7.068 -10.959 1.00 0.00 N ATOM 98 CZ ARG A 6 17.857 -8.068 -11.843 1.00 0.00 C ATOM 99 NH1 ARG A 6 16.702 -8.678 -12.043 1.00 0.00 N ATOM 100 NH2 ARG A 6 18.920 -8.437 -12.536 1.00 0.00 N ATOM 0 H ARG A 6 15.007 -4.932 -5.924 1.00 0.00 H new ATOM 0 HA ARG A 6 15.583 -7.761 -6.261 1.00 0.00 H new ATOM 0 HB2 ARG A 6 15.023 -6.290 -8.150 1.00 0.00 H new ATOM 0 HB3 ARG A 6 16.338 -5.207 -7.739 1.00 0.00 H new ATOM 0 HG2 ARG A 6 17.994 -6.954 -8.315 1.00 0.00 H new ATOM 0 HG3 ARG A 6 16.706 -8.093 -8.652 1.00 0.00 H new ATOM 0 HD2 ARG A 6 15.931 -6.794 -10.558 1.00 0.00 H new ATOM 0 HD3 ARG A 6 16.948 -5.433 -10.128 1.00 0.00 H new ATOM 0 HE ARG A 6 18.900 -6.648 -10.855 1.00 0.00 H new ATOM 0 HH11 ARG A 6 15.876 -8.390 -11.519 1.00 0.00 H new ATOM 0 HH12 ARG A 6 16.637 -9.437 -12.722 1.00 0.00 H new ATOM 0 HH21 ARG A 6 19.812 -7.963 -12.393 1.00 0.00 H new ATOM 0 HH22 ARG A 6 18.849 -9.196 -13.213 1.00 0.00 H new ATOM 114 N ALA A 7 17.515 -7.753 -4.717 1.00 0.00 N ATOM 115 CA ALA A 7 18.755 -8.040 -3.996 1.00 0.00 C ATOM 116 C ALA A 7 19.190 -9.474 -4.334 1.00 0.00 C ATOM 117 O ALA A 7 18.554 -10.121 -5.186 1.00 0.00 O ATOM 118 CB ALA A 7 18.537 -7.810 -2.494 1.00 0.00 C ATOM 0 H ALA A 7 16.755 -8.385 -4.464 1.00 0.00 H new ATOM 0 HA ALA A 7 19.560 -7.371 -4.299 1.00 0.00 H new ATOM 0 HB1 ALA A 7 19.460 -8.024 -1.955 1.00 0.00 H new ATOM 0 HB2 ALA A 7 18.249 -6.773 -2.323 1.00 0.00 H new ATOM 0 HB3 ALA A 7 17.747 -8.470 -2.136 1.00 0.00 H new ATOM 124 N GLN A 8 20.306 -9.950 -3.723 1.00 0.00 N ATOM 125 CA GLN A 8 20.778 -11.363 -3.872 1.00 0.00 C ATOM 126 C GLN A 8 19.631 -12.368 -3.549 1.00 0.00 C ATOM 127 O GLN A 8 19.595 -13.495 -4.070 1.00 0.00 O ATOM 128 CB GLN A 8 22.036 -11.630 -2.991 1.00 0.00 C ATOM 129 CG GLN A 8 21.791 -11.542 -1.473 1.00 0.00 C ATOM 130 CD GLN A 8 23.052 -11.721 -0.621 1.00 0.00 C ATOM 131 OE1 GLN A 8 23.413 -12.837 -0.242 1.00 0.00 O ATOM 132 NE2 GLN A 8 23.710 -10.620 -0.290 1.00 0.00 N ATOM 0 H GLN A 8 20.900 -9.380 -3.121 1.00 0.00 H new ATOM 0 HA GLN A 8 21.069 -11.515 -4.911 1.00 0.00 H new ATOM 0 HB2 GLN A 8 22.423 -12.622 -3.226 1.00 0.00 H new ATOM 0 HB3 GLN A 8 22.811 -10.913 -3.262 1.00 0.00 H new ATOM 0 HG2 GLN A 8 21.346 -10.574 -1.244 1.00 0.00 H new ATOM 0 HG3 GLN A 8 21.064 -12.302 -1.189 1.00 0.00 H new ATOM 0 HE21 GLN A 8 23.384 -9.712 -0.621 1.00 0.00 H new ATOM 0 HE22 GLN A 8 24.543 -10.680 0.296 1.00 0.00 H new ATOM 141 N GLU A 9 18.697 -11.923 -2.692 1.00 0.00 N ATOM 142 CA GLU A 9 17.368 -12.534 -2.496 1.00 0.00 C ATOM 143 C GLU A 9 16.292 -11.504 -2.900 1.00 0.00 C ATOM 144 O GLU A 9 16.446 -10.306 -2.631 1.00 0.00 O ATOM 145 CB GLU A 9 17.182 -12.946 -1.012 1.00 0.00 C ATOM 146 CG GLU A 9 18.106 -14.078 -0.525 1.00 0.00 C ATOM 147 CD GLU A 9 17.765 -15.446 -1.145 1.00 0.00 C ATOM 148 OE1 GLU A 9 16.942 -16.181 -0.560 1.00 0.00 O ATOM 149 OE2 GLU A 9 18.294 -15.788 -2.222 1.00 0.00 O ATOM 0 H GLU A 9 18.848 -11.106 -2.100 1.00 0.00 H new ATOM 0 HA GLU A 9 17.277 -13.428 -3.112 1.00 0.00 H new ATOM 0 HB2 GLU A 9 17.346 -12.070 -0.385 1.00 0.00 H new ATOM 0 HB3 GLU A 9 16.147 -13.254 -0.864 1.00 0.00 H new ATOM 0 HG2 GLU A 9 19.139 -13.824 -0.765 1.00 0.00 H new ATOM 0 HG3 GLU A 9 18.040 -14.151 0.561 1.00 0.00 H new ATOM 156 N LEU A 10 15.215 -11.963 -3.552 1.00 0.00 N ATOM 157 CA LEU A 10 14.096 -11.099 -3.958 1.00 0.00 C ATOM 158 C LEU A 10 13.135 -10.924 -2.765 1.00 0.00 C ATOM 159 O LEU A 10 12.467 -11.883 -2.361 1.00 0.00 O ATOM 160 CB LEU A 10 13.351 -11.692 -5.195 1.00 0.00 C ATOM 161 CG LEU A 10 14.087 -11.613 -6.579 1.00 0.00 C ATOM 162 CD1 LEU A 10 14.484 -10.158 -6.923 1.00 0.00 C ATOM 163 CD2 LEU A 10 15.308 -12.564 -6.645 1.00 0.00 C ATOM 0 H LEU A 10 15.094 -12.942 -3.813 1.00 0.00 H new ATOM 0 HA LEU A 10 14.484 -10.124 -4.252 1.00 0.00 H new ATOM 0 HB2 LEU A 10 13.132 -12.739 -4.988 1.00 0.00 H new ATOM 0 HB3 LEU A 10 12.394 -11.179 -5.291 1.00 0.00 H new ATOM 0 HG LEU A 10 13.380 -11.952 -7.336 1.00 0.00 H new ATOM 0 HD11 LEU A 10 14.992 -10.138 -7.887 1.00 0.00 H new ATOM 0 HD12 LEU A 10 13.589 -9.538 -6.971 1.00 0.00 H new ATOM 0 HD13 LEU A 10 15.152 -9.771 -6.153 1.00 0.00 H new ATOM 0 HD21 LEU A 10 15.786 -12.475 -7.621 1.00 0.00 H new ATOM 0 HD22 LEU A 10 16.021 -12.295 -5.866 1.00 0.00 H new ATOM 0 HD23 LEU A 10 14.977 -13.592 -6.495 1.00 0.00 H new ATOM 175 N HIS A 11 13.106 -9.710 -2.187 1.00 0.00 N ATOM 176 CA HIS A 11 12.272 -9.381 -1.009 1.00 0.00 C ATOM 177 C HIS A 11 11.152 -8.429 -1.421 1.00 0.00 C ATOM 178 O HIS A 11 11.409 -7.447 -2.108 1.00 0.00 O ATOM 179 CB HIS A 11 13.127 -8.706 0.092 1.00 0.00 C ATOM 180 CG HIS A 11 14.334 -9.501 0.509 1.00 0.00 C ATOM 181 ND1 HIS A 11 14.276 -10.586 1.355 1.00 0.00 N ATOM 182 CD2 HIS A 11 15.631 -9.360 0.186 1.00 0.00 C ATOM 183 CE1 HIS A 11 15.487 -11.057 1.534 1.00 0.00 C ATOM 184 NE2 HIS A 11 16.327 -10.336 0.839 1.00 0.00 N ATOM 0 H HIS A 11 13.662 -8.923 -2.523 1.00 0.00 H new ATOM 0 HA HIS A 11 11.850 -10.306 -0.617 1.00 0.00 H new ATOM 0 HB2 HIS A 11 13.455 -7.730 -0.265 1.00 0.00 H new ATOM 0 HB3 HIS A 11 12.501 -8.531 0.967 1.00 0.00 H new ATOM 0 HD1 HIS A 11 13.427 -10.963 1.775 1.00 0.00 H new ATOM 0 HD2 HIS A 11 16.047 -8.611 -0.471 1.00 0.00 H new ATOM 0 HE1 HIS A 11 15.747 -11.902 2.154 1.00 0.00 H new ATOM 193 N THR A 12 9.911 -8.710 -1.013 1.00 0.00 N ATOM 194 CA THR A 12 8.790 -7.789 -1.224 1.00 0.00 C ATOM 195 C THR A 12 8.435 -7.132 0.128 1.00 0.00 C ATOM 196 O THR A 12 8.431 -7.802 1.174 1.00 0.00 O ATOM 197 CB THR A 12 7.560 -8.511 -1.887 1.00 0.00 C ATOM 198 OG1 THR A 12 6.666 -7.530 -2.431 1.00 0.00 O ATOM 199 CG2 THR A 12 6.779 -9.436 -0.932 1.00 0.00 C ATOM 0 H THR A 12 9.656 -9.573 -0.532 1.00 0.00 H new ATOM 0 HA THR A 12 9.081 -7.009 -1.928 1.00 0.00 H new ATOM 0 HB THR A 12 7.970 -9.152 -2.668 1.00 0.00 H new ATOM 0 HG1 THR A 12 7.140 -6.679 -2.537 1.00 0.00 H new ATOM 0 HG21 THR A 12 5.948 -9.894 -1.468 1.00 0.00 H new ATOM 0 HG22 THR A 12 7.442 -10.215 -0.557 1.00 0.00 H new ATOM 0 HG23 THR A 12 6.394 -8.853 -0.095 1.00 0.00 H new ATOM 207 N PHE A 13 8.203 -5.808 0.106 1.00 0.00 N ATOM 208 CA PHE A 13 7.924 -5.006 1.312 1.00 0.00 C ATOM 209 C PHE A 13 6.613 -4.237 1.135 1.00 0.00 C ATOM 210 O PHE A 13 6.412 -3.562 0.113 1.00 0.00 O ATOM 211 CB PHE A 13 9.081 -4.011 1.613 1.00 0.00 C ATOM 212 CG PHE A 13 10.395 -4.686 1.998 1.00 0.00 C ATOM 213 CD1 PHE A 13 10.511 -5.383 3.203 1.00 0.00 C ATOM 214 CD2 PHE A 13 11.504 -4.629 1.163 1.00 0.00 C ATOM 215 CE1 PHE A 13 11.698 -5.995 3.554 1.00 0.00 C ATOM 216 CE2 PHE A 13 12.691 -5.239 1.513 1.00 0.00 C ATOM 217 CZ PHE A 13 12.790 -5.922 2.708 1.00 0.00 C ATOM 0 H PHE A 13 8.204 -5.260 -0.754 1.00 0.00 H new ATOM 0 HA PHE A 13 7.837 -5.689 2.157 1.00 0.00 H new ATOM 0 HB2 PHE A 13 9.248 -3.388 0.735 1.00 0.00 H new ATOM 0 HB3 PHE A 13 8.775 -3.347 2.421 1.00 0.00 H new ATOM 0 HD1 PHE A 13 9.662 -5.444 3.868 1.00 0.00 H new ATOM 0 HD2 PHE A 13 11.436 -4.099 0.225 1.00 0.00 H new ATOM 0 HE1 PHE A 13 11.774 -6.531 4.489 1.00 0.00 H new ATOM 0 HE2 PHE A 13 13.543 -5.182 0.852 1.00 0.00 H new ATOM 0 HZ PHE A 13 13.719 -6.399 2.982 1.00 0.00 H new ATOM 227 N GLU A 14 5.712 -4.379 2.122 1.00 0.00 N ATOM 228 CA GLU A 14 4.489 -3.571 2.214 1.00 0.00 C ATOM 229 C GLU A 14 4.800 -2.306 3.047 1.00 0.00 C ATOM 230 O GLU A 14 4.984 -2.368 4.268 1.00 0.00 O ATOM 231 CB GLU A 14 3.309 -4.404 2.819 1.00 0.00 C ATOM 232 CG GLU A 14 3.617 -5.141 4.144 1.00 0.00 C ATOM 233 CD GLU A 14 2.397 -5.873 4.735 1.00 0.00 C ATOM 234 OE1 GLU A 14 2.080 -6.995 4.283 1.00 0.00 O ATOM 235 OE2 GLU A 14 1.755 -5.339 5.664 1.00 0.00 O ATOM 0 H GLU A 14 5.813 -5.057 2.877 1.00 0.00 H new ATOM 0 HA GLU A 14 4.165 -3.266 1.219 1.00 0.00 H new ATOM 0 HB2 GLU A 14 2.464 -3.735 2.985 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.992 -5.140 2.080 1.00 0.00 H new ATOM 0 HG2 GLU A 14 4.416 -5.862 3.973 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.988 -4.421 4.874 1.00 0.00 H new ATOM 242 N VAL A 15 4.926 -1.172 2.350 1.00 0.00 N ATOM 243 CA VAL A 15 5.145 0.151 2.951 1.00 0.00 C ATOM 244 C VAL A 15 3.896 1.024 2.736 1.00 0.00 C ATOM 245 O VAL A 15 2.960 0.622 2.040 1.00 0.00 O ATOM 246 CB VAL A 15 6.420 0.860 2.336 1.00 0.00 C ATOM 247 CG1 VAL A 15 7.700 0.035 2.611 1.00 0.00 C ATOM 248 CG2 VAL A 15 6.252 1.143 0.814 1.00 0.00 C ATOM 0 H VAL A 15 4.878 -1.146 1.331 1.00 0.00 H new ATOM 0 HA VAL A 15 5.322 0.020 4.019 1.00 0.00 H new ATOM 0 HB VAL A 15 6.524 1.825 2.832 1.00 0.00 H new ATOM 0 HG11 VAL A 15 8.561 0.544 2.178 1.00 0.00 H new ATOM 0 HG12 VAL A 15 7.842 -0.068 3.687 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.599 -0.953 2.162 1.00 0.00 H new ATOM 0 HG21 VAL A 15 7.150 1.630 0.433 1.00 0.00 H new ATOM 0 HG22 VAL A 15 6.096 0.203 0.284 1.00 0.00 H new ATOM 0 HG23 VAL A 15 5.392 1.794 0.658 1.00 0.00 H new ATOM 258 N THR A 16 3.880 2.201 3.362 1.00 0.00 N ATOM 259 CA THR A 16 2.817 3.199 3.180 1.00 0.00 C ATOM 260 C THR A 16 3.353 4.391 2.347 1.00 0.00 C ATOM 261 O THR A 16 2.590 5.237 1.883 1.00 0.00 O ATOM 262 CB THR A 16 2.290 3.672 4.581 1.00 0.00 C ATOM 263 OG1 THR A 16 2.076 2.531 5.429 1.00 0.00 O ATOM 264 CG2 THR A 16 0.971 4.457 4.488 1.00 0.00 C ATOM 0 H THR A 16 4.607 2.494 4.014 1.00 0.00 H new ATOM 0 HA THR A 16 1.984 2.755 2.636 1.00 0.00 H new ATOM 0 HB THR A 16 3.051 4.335 4.993 1.00 0.00 H new ATOM 0 HG1 THR A 16 1.749 2.830 6.303 1.00 0.00 H new ATOM 0 HG21 THR A 16 0.655 4.758 5.487 1.00 0.00 H new ATOM 0 HG22 THR A 16 1.118 5.344 3.871 1.00 0.00 H new ATOM 0 HG23 THR A 16 0.203 3.827 4.040 1.00 0.00 H new ATOM 272 N GLY A 17 4.688 4.411 2.131 1.00 0.00 N ATOM 273 CA GLY A 17 5.362 5.501 1.422 1.00 0.00 C ATOM 274 C GLY A 17 6.192 6.360 2.366 1.00 0.00 C ATOM 275 O GLY A 17 7.276 6.821 2.003 1.00 0.00 O ATOM 0 H GLY A 17 5.317 3.672 2.445 1.00 0.00 H new ATOM 0 HA2 GLY A 17 6.006 5.087 0.646 1.00 0.00 H new ATOM 0 HA3 GLY A 17 4.620 6.123 0.922 1.00 0.00 H new ATOM 279 N GLN A 18 5.678 6.544 3.598 1.00 0.00 N ATOM 280 CA GLN A 18 6.298 7.413 4.632 1.00 0.00 C ATOM 281 C GLN A 18 7.558 6.795 5.280 1.00 0.00 C ATOM 282 O GLN A 18 8.191 7.442 6.114 1.00 0.00 O ATOM 283 CB GLN A 18 5.229 7.832 5.697 1.00 0.00 C ATOM 284 CG GLN A 18 4.298 6.700 6.220 1.00 0.00 C ATOM 285 CD GLN A 18 4.973 5.598 7.055 1.00 0.00 C ATOM 286 OE1 GLN A 18 4.561 4.446 7.011 1.00 0.00 O ATOM 287 NE2 GLN A 18 5.987 5.934 7.845 1.00 0.00 N ATOM 0 H GLN A 18 4.817 6.094 3.911 1.00 0.00 H new ATOM 0 HA GLN A 18 6.654 8.311 4.127 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.748 8.269 6.550 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.606 8.616 5.267 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.512 7.154 6.823 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.813 6.232 5.363 1.00 0.00 H new ATOM 0 HE21 GLN A 18 6.317 6.899 7.869 1.00 0.00 H new ATOM 0 HE22 GLN A 18 6.435 5.227 8.428 1.00 0.00 H new ATOM 296 N GLU A 19 7.884 5.544 4.927 1.00 0.00 N ATOM 297 CA GLU A 19 9.158 4.912 5.310 1.00 0.00 C ATOM 298 C GLU A 19 10.294 5.430 4.400 1.00 0.00 C ATOM 299 O GLU A 19 10.042 5.750 3.237 1.00 0.00 O ATOM 300 CB GLU A 19 9.019 3.370 5.235 1.00 0.00 C ATOM 301 CG GLU A 19 10.345 2.617 5.437 1.00 0.00 C ATOM 302 CD GLU A 19 10.191 1.127 5.744 1.00 0.00 C ATOM 303 OE1 GLU A 19 10.030 0.777 6.932 1.00 0.00 O ATOM 304 OE2 GLU A 19 10.244 0.303 4.819 1.00 0.00 O ATOM 0 H GLU A 19 7.277 4.943 4.371 1.00 0.00 H new ATOM 0 HA GLU A 19 9.409 5.176 6.337 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.306 3.041 5.992 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.602 3.099 4.265 1.00 0.00 H new ATOM 0 HG2 GLU A 19 10.951 2.728 4.538 1.00 0.00 H new ATOM 0 HG3 GLU A 19 10.894 3.088 6.252 1.00 0.00 H new ATOM 311 N THR A 20 11.531 5.541 4.938 1.00 0.00 N ATOM 312 CA THR A 20 12.694 6.017 4.162 1.00 0.00 C ATOM 313 C THR A 20 13.381 4.868 3.401 1.00 0.00 C ATOM 314 O THR A 20 13.169 3.684 3.694 1.00 0.00 O ATOM 315 CB THR A 20 13.752 6.731 5.065 1.00 0.00 C ATOM 316 OG1 THR A 20 14.284 5.810 6.029 1.00 0.00 O ATOM 317 CG2 THR A 20 13.173 7.947 5.796 1.00 0.00 C ATOM 0 H THR A 20 11.747 5.307 5.907 1.00 0.00 H new ATOM 0 HA THR A 20 12.299 6.737 3.445 1.00 0.00 H new ATOM 0 HB THR A 20 14.544 7.084 4.404 1.00 0.00 H new ATOM 0 HG1 THR A 20 14.823 6.299 6.686 1.00 0.00 H new ATOM 0 HG21 THR A 20 13.948 8.406 6.409 1.00 0.00 H new ATOM 0 HG22 THR A 20 12.811 8.671 5.067 1.00 0.00 H new ATOM 0 HG23 THR A 20 12.348 7.629 6.433 1.00 0.00 H new ATOM 325 N VAL A 21 14.234 5.243 2.427 1.00 0.00 N ATOM 326 CA VAL A 21 15.103 4.296 1.693 1.00 0.00 C ATOM 327 C VAL A 21 16.158 3.690 2.653 1.00 0.00 C ATOM 328 O VAL A 21 16.593 2.554 2.465 1.00 0.00 O ATOM 329 CB VAL A 21 15.779 5.006 0.452 1.00 0.00 C ATOM 330 CG1 VAL A 21 16.851 4.123 -0.233 1.00 0.00 C ATOM 331 CG2 VAL A 21 14.704 5.453 -0.576 1.00 0.00 C ATOM 0 H VAL A 21 14.341 6.211 2.125 1.00 0.00 H new ATOM 0 HA VAL A 21 14.493 3.480 1.306 1.00 0.00 H new ATOM 0 HB VAL A 21 16.294 5.887 0.837 1.00 0.00 H new ATOM 0 HG11 VAL A 21 17.281 4.662 -1.078 1.00 0.00 H new ATOM 0 HG12 VAL A 21 17.637 3.884 0.483 1.00 0.00 H new ATOM 0 HG13 VAL A 21 16.391 3.201 -0.587 1.00 0.00 H new ATOM 0 HG21 VAL A 21 15.190 5.939 -1.422 1.00 0.00 H new ATOM 0 HG22 VAL A 21 14.151 4.581 -0.927 1.00 0.00 H new ATOM 0 HG23 VAL A 21 14.016 6.153 -0.102 1.00 0.00 H new ATOM 341 N ALA A 22 16.515 4.450 3.706 1.00 0.00 N ATOM 342 CA ALA A 22 17.467 4.017 4.746 1.00 0.00 C ATOM 343 C ALA A 22 16.905 2.822 5.532 1.00 0.00 C ATOM 344 O ALA A 22 17.628 1.862 5.829 1.00 0.00 O ATOM 345 CB ALA A 22 17.780 5.179 5.703 1.00 0.00 C ATOM 0 H ALA A 22 16.148 5.389 3.860 1.00 0.00 H new ATOM 0 HA ALA A 22 18.390 3.707 4.256 1.00 0.00 H new ATOM 0 HB1 ALA A 22 18.484 4.844 6.465 1.00 0.00 H new ATOM 0 HB2 ALA A 22 18.218 6.004 5.142 1.00 0.00 H new ATOM 0 HB3 ALA A 22 16.860 5.514 6.182 1.00 0.00 H new ATOM 351 N GLN A 23 15.596 2.897 5.851 1.00 0.00 N ATOM 352 CA GLN A 23 14.881 1.809 6.536 1.00 0.00 C ATOM 353 C GLN A 23 14.717 0.593 5.600 1.00 0.00 C ATOM 354 O GLN A 23 14.841 -0.541 6.052 1.00 0.00 O ATOM 355 CB GLN A 23 13.506 2.290 7.046 1.00 0.00 C ATOM 356 CG GLN A 23 13.556 3.467 8.044 1.00 0.00 C ATOM 357 CD GLN A 23 12.178 3.943 8.510 1.00 0.00 C ATOM 358 OE1 GLN A 23 11.247 3.021 8.717 1.00 0.00 O flip ATOM 359 NE2 GLN A 23 11.963 5.132 8.734 1.00 0.00 N flip ATOM 0 H GLN A 23 15.013 3.707 5.642 1.00 0.00 H new ATOM 0 HA GLN A 23 15.475 1.503 7.397 1.00 0.00 H new ATOM 0 HB2 GLN A 23 12.900 2.585 6.189 1.00 0.00 H new ATOM 0 HB3 GLN A 23 12.998 1.451 7.522 1.00 0.00 H new ATOM 0 HG2 GLN A 23 14.140 3.168 8.914 1.00 0.00 H new ATOM 0 HG3 GLN A 23 14.080 4.302 7.580 1.00 0.00 H new ATOM 0 HE21 GLN A 23 12.695 5.823 8.567 1.00 0.00 H new ATOM 0 HE22 GLN A 23 11.053 5.428 9.087 1.00 0.00 H new ATOM 368 N ILE A 24 14.439 0.857 4.295 1.00 0.00 N ATOM 369 CA ILE A 24 14.389 -0.190 3.231 1.00 0.00 C ATOM 370 C ILE A 24 15.713 -0.999 3.206 1.00 0.00 C ATOM 371 O ILE A 24 15.683 -2.239 3.140 1.00 0.00 O ATOM 372 CB ILE A 24 14.104 0.447 1.800 1.00 0.00 C ATOM 373 CG1 ILE A 24 12.658 1.055 1.710 1.00 0.00 C ATOM 374 CG2 ILE A 24 14.354 -0.560 0.635 1.00 0.00 C ATOM 375 CD1 ILE A 24 11.522 0.039 1.757 1.00 0.00 C ATOM 0 H ILE A 24 14.244 1.797 3.949 1.00 0.00 H new ATOM 0 HA ILE A 24 13.566 -0.864 3.467 1.00 0.00 H new ATOM 0 HB ILE A 24 14.821 1.260 1.683 1.00 0.00 H new ATOM 0 HG12 ILE A 24 12.527 1.761 2.530 1.00 0.00 H new ATOM 0 HG13 ILE A 24 12.577 1.624 0.784 1.00 0.00 H new ATOM 0 HG21 ILE A 24 14.145 -0.074 -0.318 1.00 0.00 H new ATOM 0 HG22 ILE A 24 15.393 -0.888 0.654 1.00 0.00 H new ATOM 0 HG23 ILE A 24 13.699 -1.423 0.753 1.00 0.00 H new ATOM 0 HD11 ILE A 24 10.566 0.558 1.688 1.00 0.00 H new ATOM 0 HD12 ILE A 24 11.619 -0.654 0.922 1.00 0.00 H new ATOM 0 HD13 ILE A 24 11.567 -0.515 2.695 1.00 0.00 H new ATOM 387 N LYS A 25 16.858 -0.267 3.268 1.00 0.00 N ATOM 388 CA LYS A 25 18.208 -0.867 3.325 1.00 0.00 C ATOM 389 C LYS A 25 18.374 -1.729 4.577 1.00 0.00 C ATOM 390 O LYS A 25 18.844 -2.854 4.491 1.00 0.00 O ATOM 391 CB LYS A 25 19.320 0.208 3.332 1.00 0.00 C ATOM 392 CG LYS A 25 19.408 1.075 2.072 1.00 0.00 C ATOM 393 CD LYS A 25 20.631 2.014 2.106 1.00 0.00 C ATOM 394 CE LYS A 25 20.705 2.941 0.892 1.00 0.00 C ATOM 395 NZ LYS A 25 22.010 3.649 0.821 1.00 0.00 N ATOM 0 H LYS A 25 16.865 0.753 3.280 1.00 0.00 H new ATOM 0 HA LYS A 25 18.306 -1.480 2.429 1.00 0.00 H new ATOM 0 HB2 LYS A 25 19.164 0.861 4.191 1.00 0.00 H new ATOM 0 HB3 LYS A 25 20.280 -0.288 3.478 1.00 0.00 H new ATOM 0 HG2 LYS A 25 19.467 0.433 1.193 1.00 0.00 H new ATOM 0 HG3 LYS A 25 18.498 1.667 1.974 1.00 0.00 H new ATOM 0 HD2 LYS A 25 20.595 2.616 3.014 1.00 0.00 H new ATOM 0 HD3 LYS A 25 21.541 1.416 2.156 1.00 0.00 H new ATOM 0 HE2 LYS A 25 20.555 2.361 -0.019 1.00 0.00 H new ATOM 0 HE3 LYS A 25 19.897 3.671 0.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 22.064 4.189 -0.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 22.097 4.299 1.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 22.784 2.955 0.851 1.00 0.00 H new ATOM 409 N ALA A 26 17.999 -1.149 5.733 1.00 0.00 N ATOM 410 CA ALA A 26 18.102 -1.805 7.046 1.00 0.00 C ATOM 411 C ALA A 26 17.290 -3.119 7.084 1.00 0.00 C ATOM 412 O ALA A 26 17.744 -4.103 7.668 1.00 0.00 O ATOM 413 CB ALA A 26 17.656 -0.832 8.152 1.00 0.00 C ATOM 0 H ALA A 26 17.614 -0.206 5.780 1.00 0.00 H new ATOM 0 HA ALA A 26 19.144 -2.073 7.222 1.00 0.00 H new ATOM 0 HB1 ALA A 26 17.734 -1.323 9.122 1.00 0.00 H new ATOM 0 HB2 ALA A 26 18.295 0.051 8.140 1.00 0.00 H new ATOM 0 HB3 ALA A 26 16.622 -0.534 7.979 1.00 0.00 H new ATOM 419 N HIS A 27 16.095 -3.115 6.436 1.00 0.00 N ATOM 420 CA HIS A 27 15.217 -4.305 6.320 1.00 0.00 C ATOM 421 C HIS A 27 15.926 -5.439 5.568 1.00 0.00 C ATOM 422 O HIS A 27 16.121 -6.527 6.114 1.00 0.00 O ATOM 423 CB HIS A 27 13.870 -3.968 5.602 1.00 0.00 C ATOM 424 CG HIS A 27 12.869 -3.225 6.440 1.00 0.00 C ATOM 425 ND1 HIS A 27 12.423 -3.676 7.665 1.00 0.00 N ATOM 426 CD2 HIS A 27 12.208 -2.075 6.208 1.00 0.00 C ATOM 427 CE1 HIS A 27 11.531 -2.828 8.138 1.00 0.00 C ATOM 428 NE2 HIS A 27 11.382 -1.849 7.268 1.00 0.00 N ATOM 0 H HIS A 27 15.715 -2.285 5.980 1.00 0.00 H new ATOM 0 HA HIS A 27 14.993 -4.630 7.336 1.00 0.00 H new ATOM 0 HB2 HIS A 27 14.088 -3.375 4.714 1.00 0.00 H new ATOM 0 HB3 HIS A 27 13.416 -4.898 5.261 1.00 0.00 H new ATOM 0 HD2 HIS A 27 12.314 -1.445 5.338 1.00 0.00 H new ATOM 0 HE1 HIS A 27 11.010 -2.920 9.080 1.00 0.00 H new ATOM 0 HE2 HIS A 27 10.752 -1.053 7.371 1.00 0.00 H new ATOM 437 N VAL A 28 16.348 -5.144 4.318 1.00 0.00 N ATOM 438 CA VAL A 28 16.952 -6.153 3.414 1.00 0.00 C ATOM 439 C VAL A 28 18.323 -6.626 3.968 1.00 0.00 C ATOM 440 O VAL A 28 18.695 -7.794 3.820 1.00 0.00 O ATOM 441 CB VAL A 28 17.059 -5.615 1.923 1.00 0.00 C ATOM 442 CG1 VAL A 28 17.826 -4.287 1.828 1.00 0.00 C ATOM 443 CG2 VAL A 28 17.686 -6.661 0.976 1.00 0.00 C ATOM 0 H VAL A 28 16.282 -4.212 3.909 1.00 0.00 H new ATOM 0 HA VAL A 28 16.292 -7.020 3.380 1.00 0.00 H new ATOM 0 HB VAL A 28 16.034 -5.429 1.601 1.00 0.00 H new ATOM 0 HG11 VAL A 28 17.869 -3.965 0.787 1.00 0.00 H new ATOM 0 HG12 VAL A 28 17.315 -3.529 2.421 1.00 0.00 H new ATOM 0 HG13 VAL A 28 18.839 -4.424 2.208 1.00 0.00 H new ATOM 0 HG21 VAL A 28 17.740 -6.252 -0.033 1.00 0.00 H new ATOM 0 HG22 VAL A 28 18.690 -6.909 1.321 1.00 0.00 H new ATOM 0 HG23 VAL A 28 17.071 -7.561 0.970 1.00 0.00 H new ATOM 453 N ALA A 29 19.019 -5.714 4.676 1.00 0.00 N ATOM 454 CA ALA A 29 20.306 -5.993 5.336 1.00 0.00 C ATOM 455 C ALA A 29 20.134 -6.963 6.515 1.00 0.00 C ATOM 456 O ALA A 29 20.935 -7.887 6.683 1.00 0.00 O ATOM 457 CB ALA A 29 20.958 -4.683 5.805 1.00 0.00 C ATOM 0 H ALA A 29 18.699 -4.754 4.806 1.00 0.00 H new ATOM 0 HA ALA A 29 20.961 -6.472 4.608 1.00 0.00 H new ATOM 0 HB1 ALA A 29 21.908 -4.903 6.291 1.00 0.00 H new ATOM 0 HB2 ALA A 29 21.131 -4.035 4.946 1.00 0.00 H new ATOM 0 HB3 ALA A 29 20.297 -4.180 6.511 1.00 0.00 H new ATOM 463 N SER A 30 19.082 -6.733 7.322 1.00 0.00 N ATOM 464 CA SER A 30 18.736 -7.591 8.464 1.00 0.00 C ATOM 465 C SER A 30 18.406 -9.018 7.989 1.00 0.00 C ATOM 466 O SER A 30 18.838 -10.001 8.600 1.00 0.00 O ATOM 467 CB SER A 30 17.544 -6.979 9.238 1.00 0.00 C ATOM 468 OG SER A 30 17.266 -7.700 10.429 1.00 0.00 O ATOM 0 H SER A 30 18.448 -5.944 7.198 1.00 0.00 H new ATOM 0 HA SER A 30 19.594 -7.651 9.134 1.00 0.00 H new ATOM 0 HB2 SER A 30 17.765 -5.940 9.484 1.00 0.00 H new ATOM 0 HB3 SER A 30 16.660 -6.974 8.601 1.00 0.00 H new ATOM 0 HG SER A 30 16.509 -7.285 10.893 1.00 0.00 H new ATOM 474 N LEU A 31 17.663 -9.096 6.869 1.00 0.00 N ATOM 475 CA LEU A 31 17.228 -10.367 6.255 1.00 0.00 C ATOM 476 C LEU A 31 18.425 -11.195 5.737 1.00 0.00 C ATOM 477 O LEU A 31 18.550 -12.383 6.054 1.00 0.00 O ATOM 478 CB LEU A 31 16.230 -10.082 5.097 1.00 0.00 C ATOM 479 CG LEU A 31 14.898 -9.383 5.515 1.00 0.00 C ATOM 480 CD1 LEU A 31 14.084 -8.938 4.288 1.00 0.00 C ATOM 481 CD2 LEU A 31 14.053 -10.292 6.437 1.00 0.00 C ATOM 0 H LEU A 31 17.344 -8.272 6.360 1.00 0.00 H new ATOM 0 HA LEU A 31 16.732 -10.956 7.026 1.00 0.00 H new ATOM 0 HB2 LEU A 31 16.730 -9.459 4.355 1.00 0.00 H new ATOM 0 HB3 LEU A 31 15.987 -11.026 4.609 1.00 0.00 H new ATOM 0 HG LEU A 31 15.165 -8.488 6.077 1.00 0.00 H new ATOM 0 HD11 LEU A 31 13.164 -8.456 4.617 1.00 0.00 H new ATOM 0 HD12 LEU A 31 14.671 -8.235 3.697 1.00 0.00 H new ATOM 0 HD13 LEU A 31 13.840 -9.808 3.679 1.00 0.00 H new ATOM 0 HD21 LEU A 31 13.132 -9.777 6.711 1.00 0.00 H new ATOM 0 HD22 LEU A 31 13.810 -11.216 5.913 1.00 0.00 H new ATOM 0 HD23 LEU A 31 14.620 -10.524 7.338 1.00 0.00 H new ATOM 493 N GLU A 32 19.309 -10.543 4.959 1.00 0.00 N ATOM 494 CA GLU A 32 20.431 -11.215 4.261 1.00 0.00 C ATOM 495 C GLU A 32 21.711 -11.250 5.117 1.00 0.00 C ATOM 496 O GLU A 32 22.726 -11.809 4.689 1.00 0.00 O ATOM 497 CB GLU A 32 20.701 -10.506 2.913 1.00 0.00 C ATOM 498 CG GLU A 32 19.447 -10.403 2.023 1.00 0.00 C ATOM 499 CD GLU A 32 19.671 -9.712 0.669 1.00 0.00 C ATOM 500 OE1 GLU A 32 20.437 -8.731 0.599 1.00 0.00 O ATOM 501 OE2 GLU A 32 19.046 -10.130 -0.323 1.00 0.00 O ATOM 0 H GLU A 32 19.269 -9.537 4.794 1.00 0.00 H new ATOM 0 HA GLU A 32 20.141 -12.250 4.080 1.00 0.00 H new ATOM 0 HB2 GLU A 32 21.085 -9.505 3.106 1.00 0.00 H new ATOM 0 HB3 GLU A 32 21.479 -11.047 2.374 1.00 0.00 H new ATOM 0 HG2 GLU A 32 19.063 -11.407 1.843 1.00 0.00 H new ATOM 0 HG3 GLU A 32 18.675 -9.860 2.569 1.00 0.00 H new ATOM 508 N GLY A 33 21.663 -10.639 6.316 1.00 0.00 N ATOM 509 CA GLY A 33 22.812 -10.616 7.235 1.00 0.00 C ATOM 510 C GLY A 33 23.947 -9.699 6.771 1.00 0.00 C ATOM 511 O GLY A 33 25.080 -9.825 7.246 1.00 0.00 O ATOM 0 H GLY A 33 20.838 -10.154 6.669 1.00 0.00 H new ATOM 0 HA2 GLY A 33 22.473 -10.292 8.219 1.00 0.00 H new ATOM 0 HA3 GLY A 33 23.197 -11.629 7.348 1.00 0.00 H new ATOM 515 N ILE A 34 23.636 -8.779 5.841 1.00 0.00 N ATOM 516 CA ILE A 34 24.615 -7.836 5.250 1.00 0.00 C ATOM 517 C ILE A 34 24.463 -6.437 5.889 1.00 0.00 C ATOM 518 O ILE A 34 23.632 -6.250 6.783 1.00 0.00 O ATOM 519 CB ILE A 34 24.459 -7.756 3.681 1.00 0.00 C ATOM 520 CG1 ILE A 34 23.082 -7.138 3.258 1.00 0.00 C ATOM 521 CG2 ILE A 34 24.664 -9.152 3.033 1.00 0.00 C ATOM 522 CD1 ILE A 34 22.947 -6.845 1.771 1.00 0.00 C ATOM 0 H ILE A 34 22.692 -8.664 5.472 1.00 0.00 H new ATOM 0 HA ILE A 34 25.617 -8.209 5.462 1.00 0.00 H new ATOM 0 HB ILE A 34 25.238 -7.088 3.312 1.00 0.00 H new ATOM 0 HG12 ILE A 34 22.286 -7.822 3.554 1.00 0.00 H new ATOM 0 HG13 ILE A 34 22.929 -6.212 3.812 1.00 0.00 H new ATOM 0 HG21 ILE A 34 24.552 -9.071 1.952 1.00 0.00 H new ATOM 0 HG22 ILE A 34 25.663 -9.519 3.268 1.00 0.00 H new ATOM 0 HG23 ILE A 34 23.921 -9.847 3.424 1.00 0.00 H new ATOM 0 HD11 ILE A 34 21.963 -6.420 1.572 1.00 0.00 H new ATOM 0 HD12 ILE A 34 23.717 -6.135 1.469 1.00 0.00 H new ATOM 0 HD13 ILE A 34 23.064 -7.770 1.206 1.00 0.00 H new ATOM 534 N ALA A 35 25.278 -5.458 5.439 1.00 0.00 N ATOM 535 CA ALA A 35 25.312 -4.099 6.030 1.00 0.00 C ATOM 536 C ALA A 35 24.551 -3.070 5.151 1.00 0.00 C ATOM 537 O ALA A 35 24.771 -3.011 3.935 1.00 0.00 O ATOM 538 CB ALA A 35 26.771 -3.653 6.227 1.00 0.00 C ATOM 0 H ALA A 35 25.927 -5.584 4.662 1.00 0.00 H new ATOM 0 HA ALA A 35 24.809 -4.140 6.996 1.00 0.00 H new ATOM 0 HB1 ALA A 35 26.790 -2.654 6.662 1.00 0.00 H new ATOM 0 HB2 ALA A 35 27.277 -4.349 6.896 1.00 0.00 H new ATOM 0 HB3 ALA A 35 27.281 -3.640 5.264 1.00 0.00 H new ATOM 544 N PRO A 36 23.669 -2.191 5.763 1.00 0.00 N ATOM 545 CA PRO A 36 22.971 -1.107 5.021 1.00 0.00 C ATOM 546 C PRO A 36 23.950 0.018 4.601 1.00 0.00 C ATOM 547 O PRO A 36 23.654 0.812 3.705 1.00 0.00 O ATOM 548 CB PRO A 36 21.905 -0.605 6.031 1.00 0.00 C ATOM 549 CG PRO A 36 22.500 -0.890 7.374 1.00 0.00 C ATOM 550 CD PRO A 36 23.299 -2.170 7.211 1.00 0.00 C ATOM 0 HA PRO A 36 22.530 -1.449 4.085 1.00 0.00 H new ATOM 0 HB2 PRO A 36 21.706 0.459 5.902 1.00 0.00 H new ATOM 0 HB3 PRO A 36 20.956 -1.125 5.898 1.00 0.00 H new ATOM 0 HG2 PRO A 36 23.139 -0.069 7.700 1.00 0.00 H new ATOM 0 HG3 PRO A 36 21.722 -1.008 8.129 1.00 0.00 H new ATOM 0 HD2 PRO A 36 24.184 -2.171 7.848 1.00 0.00 H new ATOM 0 HD3 PRO A 36 22.709 -3.045 7.484 1.00 0.00 H new ATOM 558 N GLU A 37 25.125 0.043 5.261 1.00 0.00 N ATOM 559 CA GLU A 37 26.210 1.023 5.024 1.00 0.00 C ATOM 560 C GLU A 37 27.198 0.542 3.936 1.00 0.00 C ATOM 561 O GLU A 37 28.156 1.248 3.601 1.00 0.00 O ATOM 562 CB GLU A 37 26.938 1.280 6.367 1.00 0.00 C ATOM 563 CG GLU A 37 27.580 0.022 6.981 1.00 0.00 C ATOM 564 CD GLU A 37 27.964 0.206 8.452 1.00 0.00 C ATOM 565 OE1 GLU A 37 29.087 0.665 8.736 1.00 0.00 O ATOM 566 OE2 GLU A 37 27.127 -0.081 9.333 1.00 0.00 O ATOM 0 H GLU A 37 25.354 -0.632 5.991 1.00 0.00 H new ATOM 0 HA GLU A 37 25.777 1.951 4.652 1.00 0.00 H new ATOM 0 HB2 GLU A 37 27.712 2.031 6.211 1.00 0.00 H new ATOM 0 HB3 GLU A 37 26.227 1.698 7.080 1.00 0.00 H new ATOM 0 HG2 GLU A 37 26.885 -0.814 6.894 1.00 0.00 H new ATOM 0 HG3 GLU A 37 28.469 -0.242 6.409 1.00 0.00 H new ATOM 573 N ASP A 38 26.969 -0.675 3.409 1.00 0.00 N ATOM 574 CA ASP A 38 27.758 -1.245 2.286 1.00 0.00 C ATOM 575 C ASP A 38 26.914 -1.256 0.995 1.00 0.00 C ATOM 576 O ASP A 38 27.443 -1.285 -0.121 1.00 0.00 O ATOM 577 CB ASP A 38 28.244 -2.670 2.670 1.00 0.00 C ATOM 578 CG ASP A 38 29.113 -3.341 1.588 1.00 0.00 C ATOM 579 OD1 ASP A 38 30.306 -2.996 1.480 1.00 0.00 O ATOM 580 OD2 ASP A 38 28.606 -4.203 0.828 1.00 0.00 O ATOM 0 H ASP A 38 26.233 -1.296 3.745 1.00 0.00 H new ATOM 0 HA ASP A 38 28.635 -0.626 2.096 1.00 0.00 H new ATOM 0 HB2 ASP A 38 28.814 -2.612 3.597 1.00 0.00 H new ATOM 0 HB3 ASP A 38 27.376 -3.299 2.868 1.00 0.00 H new ATOM 585 N GLN A 39 25.587 -1.194 1.160 1.00 0.00 N ATOM 586 CA GLN A 39 24.635 -1.240 0.040 1.00 0.00 C ATOM 587 C GLN A 39 24.019 0.147 -0.206 1.00 0.00 C ATOM 588 O GLN A 39 24.006 1.020 0.675 1.00 0.00 O ATOM 589 CB GLN A 39 23.516 -2.271 0.334 1.00 0.00 C ATOM 590 CG GLN A 39 22.586 -1.878 1.488 1.00 0.00 C ATOM 591 CD GLN A 39 21.414 -2.829 1.669 1.00 0.00 C ATOM 592 OE1 GLN A 39 20.365 -2.641 1.059 1.00 0.00 O ATOM 593 NE2 GLN A 39 21.577 -3.838 2.510 1.00 0.00 N ATOM 0 H GLN A 39 25.141 -1.110 2.074 1.00 0.00 H new ATOM 0 HA GLN A 39 25.174 -1.544 -0.857 1.00 0.00 H new ATOM 0 HB2 GLN A 39 22.919 -2.410 -0.568 1.00 0.00 H new ATOM 0 HB3 GLN A 39 23.975 -3.233 0.563 1.00 0.00 H new ATOM 0 HG2 GLN A 39 23.162 -1.842 2.413 1.00 0.00 H new ATOM 0 HG3 GLN A 39 22.204 -0.872 1.311 1.00 0.00 H new ATOM 0 HE21 GLN A 39 22.465 -3.958 2.997 1.00 0.00 H new ATOM 0 HE22 GLN A 39 20.814 -4.496 2.671 1.00 0.00 H new ATOM 602 N VAL A 40 23.526 0.328 -1.435 1.00 0.00 N ATOM 603 CA VAL A 40 22.696 1.461 -1.853 1.00 0.00 C ATOM 604 C VAL A 40 21.485 0.915 -2.624 1.00 0.00 C ATOM 605 O VAL A 40 21.514 -0.223 -3.122 1.00 0.00 O ATOM 606 CB VAL A 40 23.478 2.497 -2.753 1.00 0.00 C ATOM 607 CG1 VAL A 40 24.705 3.086 -2.010 1.00 0.00 C ATOM 608 CG2 VAL A 40 23.880 1.887 -4.120 1.00 0.00 C ATOM 0 H VAL A 40 23.700 -0.333 -2.192 1.00 0.00 H new ATOM 0 HA VAL A 40 22.385 1.999 -0.958 1.00 0.00 H new ATOM 0 HB VAL A 40 22.794 3.321 -2.958 1.00 0.00 H new ATOM 0 HG11 VAL A 40 25.218 3.795 -2.660 1.00 0.00 H new ATOM 0 HG12 VAL A 40 24.372 3.597 -1.107 1.00 0.00 H new ATOM 0 HG13 VAL A 40 25.388 2.281 -1.740 1.00 0.00 H new ATOM 0 HG21 VAL A 40 24.415 2.633 -4.708 1.00 0.00 H new ATOM 0 HG22 VAL A 40 24.524 1.022 -3.957 1.00 0.00 H new ATOM 0 HG23 VAL A 40 22.984 1.576 -4.657 1.00 0.00 H new ATOM 618 N VAL A 41 20.422 1.722 -2.703 1.00 0.00 N ATOM 619 CA VAL A 41 19.208 1.385 -3.455 1.00 0.00 C ATOM 620 C VAL A 41 19.100 2.321 -4.671 1.00 0.00 C ATOM 621 O VAL A 41 19.164 3.544 -4.535 1.00 0.00 O ATOM 622 CB VAL A 41 17.917 1.471 -2.557 1.00 0.00 C ATOM 623 CG1 VAL A 41 16.653 1.123 -3.362 1.00 0.00 C ATOM 624 CG2 VAL A 41 18.040 0.544 -1.324 1.00 0.00 C ATOM 0 H VAL A 41 20.379 2.632 -2.245 1.00 0.00 H new ATOM 0 HA VAL A 41 19.280 0.351 -3.793 1.00 0.00 H new ATOM 0 HB VAL A 41 17.826 2.500 -2.210 1.00 0.00 H new ATOM 0 HG11 VAL A 41 15.779 1.191 -2.714 1.00 0.00 H new ATOM 0 HG12 VAL A 41 16.546 1.822 -4.191 1.00 0.00 H new ATOM 0 HG13 VAL A 41 16.738 0.108 -3.751 1.00 0.00 H new ATOM 0 HG21 VAL A 41 17.136 0.621 -0.719 1.00 0.00 H new ATOM 0 HG22 VAL A 41 18.169 -0.487 -1.655 1.00 0.00 H new ATOM 0 HG23 VAL A 41 18.902 0.844 -0.728 1.00 0.00 H new ATOM 634 N LEU A 42 18.995 1.712 -5.855 1.00 0.00 N ATOM 635 CA LEU A 42 18.858 2.398 -7.140 1.00 0.00 C ATOM 636 C LEU A 42 17.426 2.208 -7.669 1.00 0.00 C ATOM 637 O LEU A 42 16.746 1.222 -7.333 1.00 0.00 O ATOM 638 CB LEU A 42 19.877 1.811 -8.166 1.00 0.00 C ATOM 639 CG LEU A 42 21.377 1.751 -7.714 1.00 0.00 C ATOM 640 CD1 LEU A 42 22.272 1.117 -8.806 1.00 0.00 C ATOM 641 CD2 LEU A 42 21.915 3.144 -7.311 1.00 0.00 C ATOM 0 H LEU A 42 19.003 0.696 -5.947 1.00 0.00 H new ATOM 0 HA LEU A 42 19.060 3.461 -7.005 1.00 0.00 H new ATOM 0 HB2 LEU A 42 19.558 0.801 -8.422 1.00 0.00 H new ATOM 0 HB3 LEU A 42 19.820 2.404 -9.079 1.00 0.00 H new ATOM 0 HG LEU A 42 21.414 1.113 -6.831 1.00 0.00 H new ATOM 0 HD11 LEU A 42 23.305 1.091 -8.460 1.00 0.00 H new ATOM 0 HD12 LEU A 42 21.932 0.102 -9.011 1.00 0.00 H new ATOM 0 HD13 LEU A 42 22.210 1.711 -9.718 1.00 0.00 H new ATOM 0 HD21 LEU A 42 22.957 3.057 -7.005 1.00 0.00 H new ATOM 0 HD22 LEU A 42 21.842 3.822 -8.161 1.00 0.00 H new ATOM 0 HD23 LEU A 42 21.325 3.536 -6.483 1.00 0.00 H new ATOM 653 N LEU A 43 16.979 3.152 -8.494 1.00 0.00 N ATOM 654 CA LEU A 43 15.735 3.040 -9.262 1.00 0.00 C ATOM 655 C LEU A 43 16.040 3.403 -10.722 1.00 0.00 C ATOM 656 O LEU A 43 16.317 4.570 -11.035 1.00 0.00 O ATOM 657 CB LEU A 43 14.624 3.946 -8.672 1.00 0.00 C ATOM 658 CG LEU A 43 13.258 3.949 -9.439 1.00 0.00 C ATOM 659 CD1 LEU A 43 12.699 2.518 -9.634 1.00 0.00 C ATOM 660 CD2 LEU A 43 12.230 4.865 -8.729 1.00 0.00 C ATOM 0 H LEU A 43 17.475 4.029 -8.652 1.00 0.00 H new ATOM 0 HA LEU A 43 15.359 2.018 -9.209 1.00 0.00 H new ATOM 0 HB2 LEU A 43 14.439 3.637 -7.643 1.00 0.00 H new ATOM 0 HB3 LEU A 43 14.999 4.969 -8.635 1.00 0.00 H new ATOM 0 HG LEU A 43 13.443 4.354 -10.434 1.00 0.00 H new ATOM 0 HD11 LEU A 43 11.751 2.568 -10.170 1.00 0.00 H new ATOM 0 HD12 LEU A 43 13.410 1.925 -10.209 1.00 0.00 H new ATOM 0 HD13 LEU A 43 12.541 2.053 -8.661 1.00 0.00 H new ATOM 0 HD21 LEU A 43 11.289 4.851 -9.279 1.00 0.00 H new ATOM 0 HD22 LEU A 43 12.062 4.505 -7.714 1.00 0.00 H new ATOM 0 HD23 LEU A 43 12.615 5.884 -8.693 1.00 0.00 H new ATOM 672 N ALA A 44 16.063 2.369 -11.590 1.00 0.00 N ATOM 673 CA ALA A 44 16.442 2.493 -13.015 1.00 0.00 C ATOM 674 C ALA A 44 17.891 3.027 -13.169 1.00 0.00 C ATOM 675 O ALA A 44 18.257 3.581 -14.212 1.00 0.00 O ATOM 676 CB ALA A 44 15.427 3.370 -13.779 1.00 0.00 C ATOM 0 H ALA A 44 15.817 1.417 -11.320 1.00 0.00 H new ATOM 0 HA ALA A 44 16.418 1.497 -13.458 1.00 0.00 H new ATOM 0 HB1 ALA A 44 15.727 3.447 -14.824 1.00 0.00 H new ATOM 0 HB2 ALA A 44 14.437 2.918 -13.717 1.00 0.00 H new ATOM 0 HB3 ALA A 44 15.400 4.365 -13.335 1.00 0.00 H new ATOM 682 N GLY A 45 18.710 2.803 -12.114 1.00 0.00 N ATOM 683 CA GLY A 45 20.096 3.275 -12.047 1.00 0.00 C ATOM 684 C GLY A 45 20.276 4.481 -11.127 1.00 0.00 C ATOM 685 O GLY A 45 21.356 4.651 -10.540 1.00 0.00 O ATOM 0 H GLY A 45 18.417 2.286 -11.285 1.00 0.00 H new ATOM 0 HA2 GLY A 45 20.734 2.462 -11.699 1.00 0.00 H new ATOM 0 HA3 GLY A 45 20.433 3.537 -13.050 1.00 0.00 H new ATOM 689 N ALA A 46 19.217 5.304 -10.979 1.00 0.00 N ATOM 690 CA ALA A 46 19.277 6.564 -10.216 1.00 0.00 C ATOM 691 C ALA A 46 19.391 6.282 -8.700 1.00 0.00 C ATOM 692 O ALA A 46 18.513 5.620 -8.143 1.00 0.00 O ATOM 693 CB ALA A 46 18.038 7.421 -10.512 1.00 0.00 C ATOM 0 H ALA A 46 18.301 5.113 -11.384 1.00 0.00 H new ATOM 0 HA ALA A 46 20.166 7.114 -10.526 1.00 0.00 H new ATOM 0 HB1 ALA A 46 18.093 8.349 -9.943 1.00 0.00 H new ATOM 0 HB2 ALA A 46 18.000 7.650 -11.577 1.00 0.00 H new ATOM 0 HB3 ALA A 46 17.140 6.873 -10.226 1.00 0.00 H new ATOM 699 N PRO A 47 20.483 6.762 -8.018 1.00 0.00 N ATOM 700 CA PRO A 47 20.703 6.523 -6.569 1.00 0.00 C ATOM 701 C PRO A 47 19.614 7.177 -5.693 1.00 0.00 C ATOM 702 O PRO A 47 19.582 8.404 -5.544 1.00 0.00 O ATOM 703 CB PRO A 47 22.111 7.136 -6.303 1.00 0.00 C ATOM 704 CG PRO A 47 22.740 7.253 -7.659 1.00 0.00 C ATOM 705 CD PRO A 47 21.597 7.555 -8.598 1.00 0.00 C ATOM 0 HA PRO A 47 20.649 5.465 -6.312 1.00 0.00 H new ATOM 0 HB2 PRO A 47 22.034 8.109 -5.818 1.00 0.00 H new ATOM 0 HB3 PRO A 47 22.703 6.498 -5.646 1.00 0.00 H new ATOM 0 HG2 PRO A 47 23.487 8.046 -7.680 1.00 0.00 H new ATOM 0 HG3 PRO A 47 23.247 6.330 -7.939 1.00 0.00 H new ATOM 0 HD2 PRO A 47 21.365 8.620 -8.625 1.00 0.00 H new ATOM 0 HD3 PRO A 47 21.821 7.251 -9.621 1.00 0.00 H new ATOM 713 N LEU A 48 18.717 6.341 -5.145 1.00 0.00 N ATOM 714 CA LEU A 48 17.654 6.794 -4.238 1.00 0.00 C ATOM 715 C LEU A 48 18.266 7.276 -2.910 1.00 0.00 C ATOM 716 O LEU A 48 18.963 6.516 -2.227 1.00 0.00 O ATOM 717 CB LEU A 48 16.628 5.654 -3.979 1.00 0.00 C ATOM 718 CG LEU A 48 15.767 5.210 -5.200 1.00 0.00 C ATOM 719 CD1 LEU A 48 14.794 4.073 -4.813 1.00 0.00 C ATOM 720 CD2 LEU A 48 15.004 6.409 -5.816 1.00 0.00 C ATOM 0 H LEU A 48 18.709 5.336 -5.319 1.00 0.00 H new ATOM 0 HA LEU A 48 17.127 7.625 -4.708 1.00 0.00 H new ATOM 0 HB2 LEU A 48 17.170 4.784 -3.608 1.00 0.00 H new ATOM 0 HB3 LEU A 48 15.955 5.974 -3.184 1.00 0.00 H new ATOM 0 HG LEU A 48 16.447 4.824 -5.959 1.00 0.00 H new ATOM 0 HD11 LEU A 48 14.207 3.784 -5.685 1.00 0.00 H new ATOM 0 HD12 LEU A 48 15.362 3.213 -4.457 1.00 0.00 H new ATOM 0 HD13 LEU A 48 14.126 4.418 -4.024 1.00 0.00 H new ATOM 0 HD21 LEU A 48 14.413 6.067 -6.665 1.00 0.00 H new ATOM 0 HD22 LEU A 48 14.343 6.844 -5.066 1.00 0.00 H new ATOM 0 HD23 LEU A 48 15.718 7.161 -6.151 1.00 0.00 H new ATOM 732 N GLU A 49 18.001 8.552 -2.580 1.00 0.00 N ATOM 733 CA GLU A 49 18.500 9.199 -1.352 1.00 0.00 C ATOM 734 C GLU A 49 17.981 8.447 -0.112 1.00 0.00 C ATOM 735 O GLU A 49 16.772 8.224 0.013 1.00 0.00 O ATOM 736 CB GLU A 49 18.058 10.684 -1.328 1.00 0.00 C ATOM 737 CG GLU A 49 18.519 11.501 -2.552 1.00 0.00 C ATOM 738 CD GLU A 49 17.977 12.934 -2.541 1.00 0.00 C ATOM 739 OE1 GLU A 49 16.777 13.125 -2.828 1.00 0.00 O ATOM 740 OE2 GLU A 49 18.746 13.876 -2.244 1.00 0.00 O ATOM 0 H GLU A 49 17.431 9.168 -3.160 1.00 0.00 H new ATOM 0 HA GLU A 49 19.589 9.163 -1.338 1.00 0.00 H new ATOM 0 HB2 GLU A 49 16.971 10.727 -1.265 1.00 0.00 H new ATOM 0 HB3 GLU A 49 18.448 11.153 -0.425 1.00 0.00 H new ATOM 0 HG2 GLU A 49 19.608 11.529 -2.577 1.00 0.00 H new ATOM 0 HG3 GLU A 49 18.192 11.000 -3.463 1.00 0.00 H new ATOM 747 N ASP A 50 18.909 8.049 0.779 1.00 0.00 N ATOM 748 CA ASP A 50 18.600 7.210 1.960 1.00 0.00 C ATOM 749 C ASP A 50 17.560 7.881 2.886 1.00 0.00 C ATOM 750 O ASP A 50 16.608 7.235 3.326 1.00 0.00 O ATOM 751 CB ASP A 50 19.898 6.858 2.740 1.00 0.00 C ATOM 752 CG ASP A 50 20.689 8.104 3.189 1.00 0.00 C ATOM 753 OD1 ASP A 50 21.431 8.676 2.358 1.00 0.00 O ATOM 754 OD2 ASP A 50 20.569 8.523 4.361 1.00 0.00 O ATOM 0 H ASP A 50 19.895 8.298 0.703 1.00 0.00 H new ATOM 0 HA ASP A 50 18.156 6.283 1.597 1.00 0.00 H new ATOM 0 HB2 ASP A 50 19.639 6.264 3.616 1.00 0.00 H new ATOM 0 HB3 ASP A 50 20.536 6.237 2.111 1.00 0.00 H new ATOM 759 N GLU A 51 17.720 9.191 3.126 1.00 0.00 N ATOM 760 CA GLU A 51 16.843 9.944 4.037 1.00 0.00 C ATOM 761 C GLU A 51 15.489 10.266 3.377 1.00 0.00 C ATOM 762 O GLU A 51 14.518 10.589 4.072 1.00 0.00 O ATOM 763 CB GLU A 51 17.545 11.230 4.512 1.00 0.00 C ATOM 764 CG GLU A 51 17.913 12.222 3.393 1.00 0.00 C ATOM 765 CD GLU A 51 18.656 13.454 3.933 1.00 0.00 C ATOM 766 OE1 GLU A 51 17.998 14.392 4.417 1.00 0.00 O ATOM 767 OE2 GLU A 51 19.902 13.470 3.915 1.00 0.00 O ATOM 0 H GLU A 51 18.454 9.755 2.698 1.00 0.00 H new ATOM 0 HA GLU A 51 16.640 9.318 4.906 1.00 0.00 H new ATOM 0 HB2 GLU A 51 16.897 11.737 5.227 1.00 0.00 H new ATOM 0 HB3 GLU A 51 18.454 10.954 5.046 1.00 0.00 H new ATOM 0 HG2 GLU A 51 18.536 11.719 2.654 1.00 0.00 H new ATOM 0 HG3 GLU A 51 17.006 12.542 2.880 1.00 0.00 H new ATOM 774 N ALA A 52 15.435 10.168 2.032 1.00 0.00 N ATOM 775 CA ALA A 52 14.202 10.391 1.270 1.00 0.00 C ATOM 776 C ALA A 52 13.277 9.177 1.414 1.00 0.00 C ATOM 777 O ALA A 52 13.729 8.027 1.306 1.00 0.00 O ATOM 778 CB ALA A 52 14.502 10.670 -0.211 1.00 0.00 C ATOM 0 H ALA A 52 16.242 9.934 1.453 1.00 0.00 H new ATOM 0 HA ALA A 52 13.702 11.271 1.674 1.00 0.00 H new ATOM 0 HB1 ALA A 52 13.567 10.831 -0.748 1.00 0.00 H new ATOM 0 HB2 ALA A 52 15.126 11.560 -0.294 1.00 0.00 H new ATOM 0 HB3 ALA A 52 15.026 9.817 -0.643 1.00 0.00 H new ATOM 784 N THR A 53 11.997 9.443 1.683 1.00 0.00 N ATOM 785 CA THR A 53 10.959 8.414 1.797 1.00 0.00 C ATOM 786 C THR A 53 10.511 7.942 0.402 1.00 0.00 C ATOM 787 O THR A 53 10.863 8.577 -0.599 1.00 0.00 O ATOM 788 CB THR A 53 9.755 8.982 2.605 1.00 0.00 C ATOM 789 OG1 THR A 53 9.279 10.176 1.979 1.00 0.00 O ATOM 790 CG2 THR A 53 10.135 9.291 4.065 1.00 0.00 C ATOM 0 H THR A 53 11.647 10.390 1.830 1.00 0.00 H new ATOM 0 HA THR A 53 11.364 7.551 2.325 1.00 0.00 H new ATOM 0 HB THR A 53 8.975 8.220 2.615 1.00 0.00 H new ATOM 0 HG1 THR A 53 8.520 10.532 2.487 1.00 0.00 H new ATOM 0 HG21 THR A 53 9.266 9.685 4.592 1.00 0.00 H new ATOM 0 HG22 THR A 53 10.472 8.377 4.554 1.00 0.00 H new ATOM 0 HG23 THR A 53 10.936 10.030 4.084 1.00 0.00 H new ATOM 798 N LEU A 54 9.740 6.830 0.337 1.00 0.00 N ATOM 799 CA LEU A 54 9.193 6.315 -0.944 1.00 0.00 C ATOM 800 C LEU A 54 8.253 7.371 -1.588 1.00 0.00 C ATOM 801 O LEU A 54 8.231 7.541 -2.817 1.00 0.00 O ATOM 802 CB LEU A 54 8.444 4.944 -0.761 1.00 0.00 C ATOM 803 CG LEU A 54 9.303 3.672 -0.370 1.00 0.00 C ATOM 804 CD1 LEU A 54 10.646 3.608 -1.137 1.00 0.00 C ATOM 805 CD2 LEU A 54 9.524 3.556 1.153 1.00 0.00 C ATOM 0 H LEU A 54 9.483 6.274 1.152 1.00 0.00 H new ATOM 0 HA LEU A 54 10.035 6.132 -1.611 1.00 0.00 H new ATOM 0 HB2 LEU A 54 7.682 5.080 0.006 1.00 0.00 H new ATOM 0 HB3 LEU A 54 7.923 4.721 -1.692 1.00 0.00 H new ATOM 0 HG LEU A 54 8.714 2.808 -0.678 1.00 0.00 H new ATOM 0 HD11 LEU A 54 11.197 2.718 -0.833 1.00 0.00 H new ATOM 0 HD12 LEU A 54 10.451 3.566 -2.209 1.00 0.00 H new ATOM 0 HD13 LEU A 54 11.237 4.495 -0.910 1.00 0.00 H new ATOM 0 HD21 LEU A 54 10.118 2.668 1.368 1.00 0.00 H new ATOM 0 HD22 LEU A 54 10.050 4.440 1.513 1.00 0.00 H new ATOM 0 HD23 LEU A 54 8.560 3.478 1.656 1.00 0.00 H new ATOM 817 N GLY A 55 7.518 8.102 -0.715 1.00 0.00 N ATOM 818 CA GLY A 55 6.605 9.164 -1.140 1.00 0.00 C ATOM 819 C GLY A 55 7.343 10.411 -1.627 1.00 0.00 C ATOM 820 O GLY A 55 6.882 11.093 -2.547 1.00 0.00 O ATOM 0 H GLY A 55 7.549 7.965 0.295 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.964 8.790 -1.939 1.00 0.00 H new ATOM 0 HA3 GLY A 55 5.954 9.433 -0.308 1.00 0.00 H new ATOM 824 N GLN A 56 8.512 10.696 -1.006 1.00 0.00 N ATOM 825 CA GLN A 56 9.377 11.837 -1.388 1.00 0.00 C ATOM 826 C GLN A 56 10.084 11.559 -2.729 1.00 0.00 C ATOM 827 O GLN A 56 10.247 12.466 -3.554 1.00 0.00 O ATOM 828 CB GLN A 56 10.401 12.147 -0.262 1.00 0.00 C ATOM 829 CG GLN A 56 11.399 13.291 -0.571 1.00 0.00 C ATOM 830 CD GLN A 56 10.742 14.629 -0.955 1.00 0.00 C ATOM 831 OE1 GLN A 56 9.650 14.965 -0.502 1.00 0.00 O ATOM 832 NE2 GLN A 56 11.404 15.400 -1.797 1.00 0.00 N ATOM 0 H GLN A 56 8.880 10.145 -0.231 1.00 0.00 H new ATOM 0 HA GLN A 56 8.750 12.719 -1.520 1.00 0.00 H new ATOM 0 HB2 GLN A 56 9.853 12.401 0.645 1.00 0.00 H new ATOM 0 HB3 GLN A 56 10.968 11.240 -0.049 1.00 0.00 H new ATOM 0 HG2 GLN A 56 12.031 13.449 0.303 1.00 0.00 H new ATOM 0 HG3 GLN A 56 12.052 12.976 -1.384 1.00 0.00 H new ATOM 0 HE21 GLN A 56 12.309 15.100 -2.160 1.00 0.00 H new ATOM 0 HE22 GLN A 56 11.011 16.296 -2.085 1.00 0.00 H new ATOM 841 N CYS A 57 10.487 10.293 -2.926 1.00 0.00 N ATOM 842 CA CYS A 57 11.053 9.812 -4.198 1.00 0.00 C ATOM 843 C CYS A 57 9.969 9.801 -5.297 1.00 0.00 C ATOM 844 O CYS A 57 10.268 9.978 -6.479 1.00 0.00 O ATOM 845 CB CYS A 57 11.670 8.404 -4.008 1.00 0.00 C ATOM 846 SG CYS A 57 13.076 8.363 -2.867 1.00 0.00 S ATOM 0 H CYS A 57 10.430 9.572 -2.206 1.00 0.00 H new ATOM 0 HA CYS A 57 11.845 10.491 -4.514 1.00 0.00 H new ATOM 0 HB2 CYS A 57 10.898 7.727 -3.642 1.00 0.00 H new ATOM 0 HB3 CYS A 57 11.992 8.026 -4.978 1.00 0.00 H new ATOM 0 HG CYS A 57 12.644 8.436 -1.643 1.00 0.00 H new ATOM 852 N GLY A 58 8.705 9.620 -4.870 1.00 0.00 N ATOM 853 CA GLY A 58 7.556 9.577 -5.775 1.00 0.00 C ATOM 854 C GLY A 58 7.460 8.270 -6.540 1.00 0.00 C ATOM 855 O GLY A 58 6.875 8.220 -7.630 1.00 0.00 O ATOM 0 H GLY A 58 8.459 9.500 -3.887 1.00 0.00 H new ATOM 0 HA2 GLY A 58 6.641 9.725 -5.201 1.00 0.00 H new ATOM 0 HA3 GLY A 58 7.625 10.403 -6.483 1.00 0.00 H new ATOM 859 N VAL A 59 8.039 7.207 -5.961 1.00 0.00 N ATOM 860 CA VAL A 59 8.024 5.860 -6.556 1.00 0.00 C ATOM 861 C VAL A 59 6.644 5.220 -6.312 1.00 0.00 C ATOM 862 O VAL A 59 6.072 5.380 -5.237 1.00 0.00 O ATOM 863 CB VAL A 59 9.195 4.962 -5.986 1.00 0.00 C ATOM 864 CG1 VAL A 59 9.174 4.875 -4.451 1.00 0.00 C ATOM 865 CG2 VAL A 59 9.191 3.546 -6.604 1.00 0.00 C ATOM 0 H VAL A 59 8.530 7.256 -5.068 1.00 0.00 H new ATOM 0 HA VAL A 59 8.193 5.940 -7.630 1.00 0.00 H new ATOM 0 HB VAL A 59 10.121 5.458 -6.277 1.00 0.00 H new ATOM 0 HG11 VAL A 59 9.998 4.247 -4.111 1.00 0.00 H new ATOM 0 HG12 VAL A 59 9.281 5.874 -4.028 1.00 0.00 H new ATOM 0 HG13 VAL A 59 8.229 4.442 -4.124 1.00 0.00 H new ATOM 0 HG21 VAL A 59 10.011 2.964 -6.184 1.00 0.00 H new ATOM 0 HG22 VAL A 59 8.245 3.054 -6.380 1.00 0.00 H new ATOM 0 HG23 VAL A 59 9.314 3.620 -7.684 1.00 0.00 H new ATOM 875 N GLU A 60 6.106 4.533 -7.326 1.00 0.00 N ATOM 876 CA GLU A 60 4.750 3.944 -7.274 1.00 0.00 C ATOM 877 C GLU A 60 4.798 2.492 -6.746 1.00 0.00 C ATOM 878 O GLU A 60 5.878 1.961 -6.447 1.00 0.00 O ATOM 879 CB GLU A 60 4.091 4.022 -8.680 1.00 0.00 C ATOM 880 CG GLU A 60 4.906 3.373 -9.817 1.00 0.00 C ATOM 881 CD GLU A 60 4.253 3.526 -11.202 1.00 0.00 C ATOM 882 OE1 GLU A 60 4.295 4.642 -11.771 1.00 0.00 O ATOM 883 OE2 GLU A 60 3.717 2.532 -11.743 1.00 0.00 O ATOM 0 H GLU A 60 6.592 4.366 -8.207 1.00 0.00 H new ATOM 0 HA GLU A 60 4.139 4.517 -6.576 1.00 0.00 H new ATOM 0 HB2 GLU A 60 3.113 3.542 -8.634 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.920 5.070 -8.927 1.00 0.00 H new ATOM 0 HG2 GLU A 60 5.900 3.819 -9.841 1.00 0.00 H new ATOM 0 HG3 GLU A 60 5.037 2.313 -9.601 1.00 0.00 H new ATOM 890 N ALA A 61 3.619 1.860 -6.634 1.00 0.00 N ATOM 891 CA ALA A 61 3.486 0.475 -6.141 1.00 0.00 C ATOM 892 C ALA A 61 3.968 -0.543 -7.198 1.00 0.00 C ATOM 893 O ALA A 61 4.073 -0.216 -8.385 1.00 0.00 O ATOM 894 CB ALA A 61 2.027 0.202 -5.737 1.00 0.00 C ATOM 0 H ALA A 61 2.729 2.293 -6.882 1.00 0.00 H new ATOM 0 HA ALA A 61 4.121 0.357 -5.263 1.00 0.00 H new ATOM 0 HB1 ALA A 61 1.935 -0.822 -5.374 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.732 0.894 -4.948 1.00 0.00 H new ATOM 0 HB3 ALA A 61 1.378 0.340 -6.602 1.00 0.00 H new ATOM 900 N LEU A 62 4.278 -1.768 -6.720 1.00 0.00 N ATOM 901 CA LEU A 62 4.765 -2.917 -7.536 1.00 0.00 C ATOM 902 C LEU A 62 6.111 -2.638 -8.251 1.00 0.00 C ATOM 903 O LEU A 62 6.541 -3.443 -9.084 1.00 0.00 O ATOM 904 CB LEU A 62 3.685 -3.422 -8.561 1.00 0.00 C ATOM 905 CG LEU A 62 2.478 -4.235 -7.977 1.00 0.00 C ATOM 906 CD1 LEU A 62 2.970 -5.452 -7.159 1.00 0.00 C ATOM 907 CD2 LEU A 62 1.519 -3.352 -7.147 1.00 0.00 C ATOM 0 H LEU A 62 4.196 -1.998 -5.730 1.00 0.00 H new ATOM 0 HA LEU A 62 4.949 -3.716 -6.818 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.287 -2.555 -9.089 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.186 -4.044 -9.303 1.00 0.00 H new ATOM 0 HG LEU A 62 1.905 -4.606 -8.827 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.112 -5.997 -6.766 1.00 0.00 H new ATOM 0 HD12 LEU A 62 3.555 -6.110 -7.802 1.00 0.00 H new ATOM 0 HD13 LEU A 62 3.591 -5.108 -6.332 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.701 -3.963 -6.765 1.00 0.00 H new ATOM 0 HD22 LEU A 62 2.062 -2.910 -6.312 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.117 -2.559 -7.778 1.00 0.00 H new ATOM 919 N THR A 63 6.782 -1.527 -7.896 1.00 0.00 N ATOM 920 CA THR A 63 8.049 -1.129 -8.520 1.00 0.00 C ATOM 921 C THR A 63 9.221 -1.887 -7.871 1.00 0.00 C ATOM 922 O THR A 63 9.188 -2.214 -6.681 1.00 0.00 O ATOM 923 CB THR A 63 8.252 0.418 -8.427 1.00 0.00 C ATOM 924 OG1 THR A 63 7.109 1.080 -8.987 1.00 0.00 O ATOM 925 CG2 THR A 63 9.512 0.902 -9.171 1.00 0.00 C ATOM 0 H THR A 63 6.460 -0.885 -7.172 1.00 0.00 H new ATOM 0 HA THR A 63 8.017 -1.393 -9.577 1.00 0.00 H new ATOM 0 HB THR A 63 8.375 0.661 -7.372 1.00 0.00 H new ATOM 0 HG1 THR A 63 6.559 1.450 -8.265 1.00 0.00 H new ATOM 0 HG21 THR A 63 9.600 1.984 -9.071 1.00 0.00 H new ATOM 0 HG22 THR A 63 10.393 0.425 -8.742 1.00 0.00 H new ATOM 0 HG23 THR A 63 9.435 0.640 -10.226 1.00 0.00 H new ATOM 933 N THR A 64 10.241 -2.177 -8.680 1.00 0.00 N ATOM 934 CA THR A 64 11.396 -2.972 -8.278 1.00 0.00 C ATOM 935 C THR A 64 12.616 -2.049 -8.054 1.00 0.00 C ATOM 936 O THR A 64 13.178 -1.499 -9.005 1.00 0.00 O ATOM 937 CB THR A 64 11.708 -4.057 -9.355 1.00 0.00 C ATOM 938 OG1 THR A 64 10.515 -4.814 -9.629 1.00 0.00 O ATOM 939 CG2 THR A 64 12.815 -5.019 -8.894 1.00 0.00 C ATOM 0 H THR A 64 10.286 -1.860 -9.648 1.00 0.00 H new ATOM 0 HA THR A 64 11.171 -3.482 -7.341 1.00 0.00 H new ATOM 0 HB THR A 64 12.055 -3.545 -10.253 1.00 0.00 H new ATOM 0 HG1 THR A 64 10.708 -5.495 -10.307 1.00 0.00 H new ATOM 0 HG21 THR A 64 13.002 -5.759 -9.673 1.00 0.00 H new ATOM 0 HG22 THR A 64 13.729 -4.457 -8.701 1.00 0.00 H new ATOM 0 HG23 THR A 64 12.501 -5.525 -7.981 1.00 0.00 H new ATOM 947 N LEU A 65 12.962 -1.851 -6.775 1.00 0.00 N ATOM 948 CA LEU A 65 14.130 -1.063 -6.340 1.00 0.00 C ATOM 949 C LEU A 65 15.330 -2.017 -6.181 1.00 0.00 C ATOM 950 O LEU A 65 15.198 -3.028 -5.504 1.00 0.00 O ATOM 951 CB LEU A 65 13.809 -0.374 -4.984 1.00 0.00 C ATOM 952 CG LEU A 65 12.473 0.435 -4.908 1.00 0.00 C ATOM 953 CD1 LEU A 65 12.293 1.083 -3.513 1.00 0.00 C ATOM 954 CD2 LEU A 65 12.387 1.493 -6.034 1.00 0.00 C ATOM 0 H LEU A 65 12.430 -2.240 -5.997 1.00 0.00 H new ATOM 0 HA LEU A 65 14.368 -0.295 -7.076 1.00 0.00 H new ATOM 0 HB2 LEU A 65 13.788 -1.140 -4.209 1.00 0.00 H new ATOM 0 HB3 LEU A 65 14.630 0.301 -4.742 1.00 0.00 H new ATOM 0 HG LEU A 65 11.653 -0.267 -5.058 1.00 0.00 H new ATOM 0 HD11 LEU A 65 11.356 1.639 -3.488 1.00 0.00 H new ATOM 0 HD12 LEU A 65 12.273 0.305 -2.750 1.00 0.00 H new ATOM 0 HD13 LEU A 65 13.123 1.762 -3.317 1.00 0.00 H new ATOM 0 HD21 LEU A 65 11.446 2.037 -5.951 1.00 0.00 H new ATOM 0 HD22 LEU A 65 13.219 2.191 -5.942 1.00 0.00 H new ATOM 0 HD23 LEU A 65 12.435 0.997 -7.004 1.00 0.00 H new ATOM 966 N GLU A 66 16.482 -1.714 -6.799 1.00 0.00 N ATOM 967 CA GLU A 66 17.634 -2.651 -6.824 1.00 0.00 C ATOM 968 C GLU A 66 18.694 -2.294 -5.754 1.00 0.00 C ATOM 969 O GLU A 66 18.967 -1.126 -5.511 1.00 0.00 O ATOM 970 CB GLU A 66 18.278 -2.674 -8.233 1.00 0.00 C ATOM 971 CG GLU A 66 19.406 -3.718 -8.391 1.00 0.00 C ATOM 972 CD GLU A 66 20.027 -3.739 -9.791 1.00 0.00 C ATOM 973 OE1 GLU A 66 19.427 -4.338 -10.704 1.00 0.00 O ATOM 974 OE2 GLU A 66 21.118 -3.163 -9.982 1.00 0.00 O ATOM 0 H GLU A 66 16.648 -0.834 -7.288 1.00 0.00 H new ATOM 0 HA GLU A 66 17.253 -3.645 -6.588 1.00 0.00 H new ATOM 0 HB2 GLU A 66 17.503 -2.877 -8.972 1.00 0.00 H new ATOM 0 HB3 GLU A 66 18.679 -1.685 -8.454 1.00 0.00 H new ATOM 0 HG2 GLU A 66 20.187 -3.511 -7.659 1.00 0.00 H new ATOM 0 HG3 GLU A 66 19.009 -4.707 -8.163 1.00 0.00 H new ATOM 981 N VAL A 67 19.276 -3.328 -5.117 1.00 0.00 N ATOM 982 CA VAL A 67 20.401 -3.189 -4.170 1.00 0.00 C ATOM 983 C VAL A 67 21.729 -3.431 -4.913 1.00 0.00 C ATOM 984 O VAL A 67 21.897 -4.471 -5.564 1.00 0.00 O ATOM 985 CB VAL A 67 20.260 -4.197 -2.968 1.00 0.00 C ATOM 986 CG1 VAL A 67 21.500 -4.192 -2.044 1.00 0.00 C ATOM 987 CG2 VAL A 67 18.985 -3.898 -2.156 1.00 0.00 C ATOM 0 H VAL A 67 18.976 -4.294 -5.246 1.00 0.00 H new ATOM 0 HA VAL A 67 20.389 -2.178 -3.762 1.00 0.00 H new ATOM 0 HB VAL A 67 20.184 -5.195 -3.399 1.00 0.00 H new ATOM 0 HG11 VAL A 67 21.352 -4.904 -1.232 1.00 0.00 H new ATOM 0 HG12 VAL A 67 22.382 -4.475 -2.618 1.00 0.00 H new ATOM 0 HG13 VAL A 67 21.641 -3.194 -1.630 1.00 0.00 H new ATOM 0 HG21 VAL A 67 18.905 -4.605 -1.330 1.00 0.00 H new ATOM 0 HG22 VAL A 67 19.035 -2.883 -1.761 1.00 0.00 H new ATOM 0 HG23 VAL A 67 18.112 -3.994 -2.801 1.00 0.00 H new ATOM 997 N ALA A 68 22.652 -2.461 -4.816 1.00 0.00 N ATOM 998 CA ALA A 68 23.998 -2.539 -5.411 1.00 0.00 C ATOM 999 C ALA A 68 25.035 -2.035 -4.391 1.00 0.00 C ATOM 1000 O ALA A 68 24.727 -1.170 -3.568 1.00 0.00 O ATOM 1001 CB ALA A 68 24.057 -1.708 -6.706 1.00 0.00 C ATOM 0 H ALA A 68 22.483 -1.588 -4.316 1.00 0.00 H new ATOM 0 HA ALA A 68 24.225 -3.575 -5.665 1.00 0.00 H new ATOM 0 HB1 ALA A 68 25.057 -1.774 -7.135 1.00 0.00 H new ATOM 0 HB2 ALA A 68 23.329 -2.094 -7.420 1.00 0.00 H new ATOM 0 HB3 ALA A 68 23.827 -0.667 -6.481 1.00 0.00 H new ATOM 1007 N GLY A 69 26.266 -2.569 -4.438 1.00 0.00 N ATOM 1008 CA GLY A 69 27.319 -2.137 -3.508 1.00 0.00 C ATOM 1009 C GLY A 69 28.154 -1.007 -4.092 1.00 0.00 C ATOM 1010 O GLY A 69 29.150 -1.262 -4.773 1.00 0.00 O ATOM 0 H GLY A 69 26.553 -3.290 -5.100 1.00 0.00 H new ATOM 0 HA2 GLY A 69 26.866 -1.809 -2.572 1.00 0.00 H new ATOM 0 HA3 GLY A 69 27.965 -2.982 -3.271 1.00 0.00 H new ATOM 1014 N ARG A 70 27.722 0.247 -3.856 1.00 0.00 N ATOM 1015 CA ARG A 70 28.459 1.460 -4.290 1.00 0.00 C ATOM 1016 C ARG A 70 29.113 2.136 -3.076 1.00 0.00 C ATOM 1017 O ARG A 70 30.250 2.617 -3.153 1.00 0.00 O ATOM 1018 CB ARG A 70 27.522 2.453 -5.031 1.00 0.00 C ATOM 1019 CG ARG A 70 26.843 1.882 -6.302 1.00 0.00 C ATOM 1020 CD ARG A 70 26.090 2.965 -7.097 1.00 0.00 C ATOM 1021 NE ARG A 70 27.016 3.989 -7.615 1.00 0.00 N ATOM 1022 CZ ARG A 70 26.836 5.317 -7.566 1.00 0.00 C ATOM 1023 NH1 ARG A 70 25.753 5.842 -7.017 1.00 0.00 N ATOM 1024 NH2 ARG A 70 27.755 6.120 -8.068 1.00 0.00 N ATOM 0 H ARG A 70 26.854 0.452 -3.360 1.00 0.00 H new ATOM 0 HA ARG A 70 29.238 1.157 -4.990 1.00 0.00 H new ATOM 0 HB2 ARG A 70 26.747 2.784 -4.340 1.00 0.00 H new ATOM 0 HB3 ARG A 70 28.098 3.335 -5.309 1.00 0.00 H new ATOM 0 HG2 ARG A 70 27.598 1.424 -6.941 1.00 0.00 H new ATOM 0 HG3 ARG A 70 26.147 1.093 -6.017 1.00 0.00 H new ATOM 0 HD2 ARG A 70 25.553 2.504 -7.926 1.00 0.00 H new ATOM 0 HD3 ARG A 70 25.344 3.436 -6.457 1.00 0.00 H new ATOM 0 HE ARG A 70 27.875 3.656 -8.052 1.00 0.00 H new ATOM 0 HH11 ARG A 70 25.036 5.234 -6.621 1.00 0.00 H new ATOM 0 HH12 ARG A 70 25.635 6.855 -6.990 1.00 0.00 H new ATOM 0 HH21 ARG A 70 28.597 5.730 -8.491 1.00 0.00 H new ATOM 0 HH22 ARG A 70 27.623 7.131 -8.033 1.00 0.00 H new ATOM 1038 N MET A 71 28.372 2.168 -1.957 1.00 0.00 N ATOM 1039 CA MET A 71 28.893 2.634 -0.661 1.00 0.00 C ATOM 1040 C MET A 71 29.813 1.534 -0.081 1.00 0.00 C ATOM 1041 O MET A 71 29.573 0.349 -0.314 1.00 0.00 O ATOM 1042 CB MET A 71 27.706 2.932 0.295 1.00 0.00 C ATOM 1043 CG MET A 71 28.077 3.705 1.565 1.00 0.00 C ATOM 1044 SD MET A 71 28.689 5.375 1.232 1.00 0.00 S ATOM 1045 CE MET A 71 27.253 6.163 0.502 1.00 0.00 C ATOM 0 H MET A 71 27.396 1.872 -1.925 1.00 0.00 H new ATOM 0 HA MET A 71 29.468 3.552 -0.782 1.00 0.00 H new ATOM 0 HB2 MET A 71 26.953 3.500 -0.251 1.00 0.00 H new ATOM 0 HB3 MET A 71 27.246 1.987 0.584 1.00 0.00 H new ATOM 0 HG2 MET A 71 27.202 3.768 2.212 1.00 0.00 H new ATOM 0 HG3 MET A 71 28.838 3.149 2.112 1.00 0.00 H new ATOM 0 HE1 MET A 71 27.395 7.244 0.495 1.00 0.00 H new ATOM 0 HE2 MET A 71 27.123 5.808 -0.520 1.00 0.00 H new ATOM 0 HE3 MET A 71 26.367 5.917 1.087 1.00 0.00 H new