USER MOD reduce.3.24.130724 H: found=0, std=0, add=506, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 506 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -160:sc= -0.0397 (180deg=-0.419) USER MOD Single : A 4 MET CE :methyl -152:sc= -0.234 (180deg=-1.25!) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.464 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ -166:sc=-0.00251 (180deg=-0.247) USER MOD Single : A 31 LYS NZ :NH3+ -148:sc= 0 (180deg=-0.0235) USER MOD Single : A 37 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.702) USER MOD Single : A 43 ASN : amide:sc= -0.949 K(o=-0.95,f=-2.9) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -167:sc= -0.0058 (180deg=-0.26) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -25.555 -2.527 5.006 1.00 1.00 N ATOM 2 CA MET A 1 -26.857 -2.845 5.653 1.00 1.00 C ATOM 3 C MET A 1 -27.872 -3.169 4.557 1.00 1.00 C ATOM 4 O MET A 1 -28.151 -2.335 3.697 1.00 1.00 O ATOM 5 CB MET A 1 -27.318 -1.627 6.467 1.00 1.00 C ATOM 6 CG MET A 1 -26.371 -1.410 7.654 1.00 1.00 C ATOM 7 SD MET A 1 -26.902 0.052 8.586 1.00 1.00 S ATOM 8 CE MET A 1 -25.450 0.185 9.658 1.00 1.00 C ATOM 0 H1 MET A 1 -24.787 -2.636 5.699 1.00 1.00 H new ATOM 0 H2 MET A 1 -25.396 -3.175 4.208 1.00 1.00 H new ATOM 0 H3 MET A 1 -25.571 -1.547 4.658 1.00 1.00 H new ATOM 0 HA MET A 1 -26.761 -3.700 6.322 1.00 1.00 H new ATOM 0 HB2 MET A 1 -27.333 -0.739 5.835 1.00 1.00 H new ATOM 0 HB3 MET A 1 -28.336 -1.781 6.825 1.00 1.00 H new ATOM 0 HG2 MET A 1 -26.373 -2.288 8.300 1.00 1.00 H new ATOM 0 HG3 MET A 1 -25.349 -1.278 7.299 1.00 1.00 H new ATOM 0 HE1 MET A 1 -25.569 1.037 10.327 1.00 1.00 H new ATOM 0 HE2 MET A 1 -25.347 -0.727 10.246 1.00 1.00 H new ATOM 0 HE3 MET A 1 -24.558 0.325 9.047 1.00 1.00 H new ATOM 20 N ARG A 2 -28.421 -4.382 4.581 1.00 1.00 N ATOM 21 CA ARG A 2 -29.405 -4.789 3.575 1.00 1.00 C ATOM 22 C ARG A 2 -30.412 -5.743 4.196 1.00 1.00 C ATOM 23 O ARG A 2 -30.070 -6.546 5.063 1.00 1.00 O ATOM 24 CB ARG A 2 -28.707 -5.458 2.381 1.00 1.00 C ATOM 25 CG ARG A 2 -27.981 -6.717 2.858 1.00 1.00 C ATOM 26 CD ARG A 2 -27.218 -7.355 1.696 1.00 1.00 C ATOM 27 NE ARG A 2 -28.158 -7.858 0.705 1.00 1.00 N ATOM 28 CZ ARG A 2 -28.738 -9.049 0.845 1.00 1.00 C ATOM 29 NH1 ARG A 2 -28.461 -9.798 1.877 1.00 1.00 N ATOM 30 NH2 ARG A 2 -29.590 -9.466 -0.045 1.00 1.00 N ATOM 0 H ARG A 2 -28.205 -5.095 5.278 1.00 1.00 H new ATOM 0 HA ARG A 2 -29.928 -3.903 3.216 1.00 1.00 H new ATOM 0 HB2 ARG A 2 -29.439 -5.715 1.615 1.00 1.00 H new ATOM 0 HB3 ARG A 2 -27.998 -4.766 1.926 1.00 1.00 H new ATOM 0 HG2 ARG A 2 -27.290 -6.465 3.662 1.00 1.00 H new ATOM 0 HG3 ARG A 2 -28.699 -7.428 3.266 1.00 1.00 H new ATOM 0 HD2 ARG A 2 -26.552 -6.622 1.240 1.00 1.00 H new ATOM 0 HD3 ARG A 2 -26.592 -8.169 2.063 1.00 1.00 H new ATOM 0 HE ARG A 2 -28.377 -7.288 -0.112 1.00 1.00 H new ATOM 0 HH11 ARG A 2 -27.798 -9.472 2.580 1.00 1.00 H new ATOM 0 HH12 ARG A 2 -28.907 -10.709 1.980 1.00 1.00 H new ATOM 0 HH21 ARG A 2 -29.814 -8.881 -0.850 1.00 1.00 H new ATOM 0 HH22 ARG A 2 -30.034 -10.378 0.062 1.00 1.00 H new ATOM 44 N ASP A 3 -31.661 -5.640 3.755 1.00 1.00 N ATOM 45 CA ASP A 3 -32.731 -6.488 4.279 1.00 1.00 C ATOM 46 C ASP A 3 -33.640 -6.971 3.146 1.00 1.00 C ATOM 47 O ASP A 3 -34.125 -8.102 3.174 1.00 1.00 O ATOM 48 CB ASP A 3 -33.533 -5.695 5.317 1.00 1.00 C ATOM 49 CG ASP A 3 -34.612 -6.573 5.936 1.00 1.00 C ATOM 50 OD1 ASP A 3 -34.792 -7.683 5.461 1.00 1.00 O ATOM 51 OD2 ASP A 3 -35.244 -6.124 6.883 1.00 1.00 O ATOM 0 H ASP A 3 -31.959 -4.980 3.037 1.00 1.00 H new ATOM 0 HA ASP A 3 -32.297 -7.368 4.753 1.00 1.00 H new ATOM 0 HB2 ASP A 3 -32.866 -5.324 6.095 1.00 1.00 H new ATOM 0 HB3 ASP A 3 -33.989 -4.824 4.846 1.00 1.00 H new ATOM 56 N MET A 4 -33.853 -6.111 2.143 1.00 1.00 N ATOM 57 CA MET A 4 -34.697 -6.462 0.992 1.00 1.00 C ATOM 58 C MET A 4 -33.949 -6.203 -0.321 1.00 1.00 C ATOM 59 O MET A 4 -33.085 -5.326 -0.390 1.00 1.00 O ATOM 60 CB MET A 4 -35.987 -5.629 1.018 1.00 1.00 C ATOM 61 CG MET A 4 -36.813 -5.962 2.268 1.00 1.00 C ATOM 62 SD MET A 4 -37.302 -7.707 2.242 1.00 1.00 S ATOM 63 CE MET A 4 -38.392 -7.625 0.799 1.00 1.00 C ATOM 0 H MET A 4 -33.456 -5.172 2.104 1.00 1.00 H new ATOM 0 HA MET A 4 -34.945 -7.522 1.055 1.00 1.00 H new ATOM 0 HB2 MET A 4 -35.742 -4.567 1.008 1.00 1.00 H new ATOM 0 HB3 MET A 4 -36.575 -5.829 0.122 1.00 1.00 H new ATOM 0 HG2 MET A 4 -36.231 -5.753 3.165 1.00 1.00 H new ATOM 0 HG3 MET A 4 -37.699 -5.328 2.308 1.00 1.00 H new ATOM 0 HE1 MET A 4 -39.160 -8.394 0.879 1.00 1.00 H new ATOM 0 HE2 MET A 4 -38.865 -6.644 0.755 1.00 1.00 H new ATOM 0 HE3 MET A 4 -37.809 -7.787 -0.107 1.00 1.00 H new ATOM 73 N THR A 5 -34.281 -6.978 -1.357 1.00 1.00 N ATOM 74 CA THR A 5 -33.629 -6.825 -2.659 1.00 1.00 C ATOM 75 C THR A 5 -33.893 -5.436 -3.230 1.00 1.00 C ATOM 76 O THR A 5 -32.975 -4.746 -3.676 1.00 1.00 O ATOM 77 CB THR A 5 -34.149 -7.878 -3.648 1.00 1.00 C ATOM 78 OG1 THR A 5 -35.391 -7.447 -4.185 1.00 1.00 O ATOM 79 CG2 THR A 5 -34.347 -9.218 -2.939 1.00 1.00 C ATOM 0 H THR A 5 -34.990 -7.710 -1.320 1.00 1.00 H new ATOM 0 HA THR A 5 -32.557 -6.960 -2.514 1.00 1.00 H new ATOM 0 HB THR A 5 -33.419 -8.002 -4.448 1.00 1.00 H new ATOM 0 HG1 THR A 5 -35.724 -8.117 -4.818 1.00 1.00 H new ATOM 0 HG21 THR A 5 -34.716 -9.956 -3.652 1.00 1.00 H new ATOM 0 HG22 THR A 5 -33.396 -9.556 -2.527 1.00 1.00 H new ATOM 0 HG23 THR A 5 -35.070 -9.099 -2.132 1.00 1.00 H new ATOM 87 N GLU A 6 -35.162 -5.037 -3.205 1.00 1.00 N ATOM 88 CA GLU A 6 -35.569 -3.730 -3.715 1.00 1.00 C ATOM 89 C GLU A 6 -34.787 -3.356 -4.981 1.00 1.00 C ATOM 90 O GLU A 6 -34.839 -4.075 -5.983 1.00 1.00 O ATOM 91 CB GLU A 6 -35.376 -2.671 -2.620 1.00 1.00 C ATOM 92 CG GLU A 6 -36.404 -2.892 -1.503 1.00 1.00 C ATOM 93 CD GLU A 6 -36.156 -1.912 -0.356 1.00 1.00 C ATOM 94 OE1 GLU A 6 -35.238 -1.115 -0.473 1.00 1.00 O ATOM 95 OE2 GLU A 6 -36.887 -1.971 0.622 1.00 1.00 O ATOM 0 H GLU A 6 -35.928 -5.601 -2.836 1.00 1.00 H new ATOM 0 HA GLU A 6 -36.623 -3.775 -3.989 1.00 1.00 H new ATOM 0 HB2 GLU A 6 -34.366 -2.732 -2.215 1.00 1.00 H new ATOM 0 HB3 GLU A 6 -35.491 -1.672 -3.042 1.00 1.00 H new ATOM 0 HG2 GLU A 6 -37.412 -2.757 -1.895 1.00 1.00 H new ATOM 0 HG3 GLU A 6 -36.339 -3.916 -1.136 1.00 1.00 H new ATOM 102 N GLU A 7 -34.072 -2.233 -4.940 1.00 1.00 N ATOM 103 CA GLU A 7 -33.296 -1.783 -6.094 1.00 1.00 C ATOM 104 C GLU A 7 -32.128 -2.728 -6.361 1.00 1.00 C ATOM 105 O GLU A 7 -31.380 -3.073 -5.447 1.00 1.00 O ATOM 106 CB GLU A 7 -32.756 -0.370 -5.836 1.00 1.00 C ATOM 107 CG GLU A 7 -33.912 0.639 -5.839 1.00 1.00 C ATOM 108 CD GLU A 7 -33.397 2.033 -5.480 1.00 1.00 C ATOM 109 OE1 GLU A 7 -32.198 2.176 -5.309 1.00 1.00 O ATOM 110 OE2 GLU A 7 -34.213 2.937 -5.380 1.00 1.00 O ATOM 0 H GLU A 7 -34.014 -1.621 -4.126 1.00 1.00 H new ATOM 0 HA GLU A 7 -33.950 -1.776 -6.966 1.00 1.00 H new ATOM 0 HB2 GLU A 7 -32.237 -0.339 -4.878 1.00 1.00 H new ATOM 0 HB3 GLU A 7 -32.028 -0.104 -6.602 1.00 1.00 H new ATOM 0 HG2 GLU A 7 -34.384 0.660 -6.821 1.00 1.00 H new ATOM 0 HG3 GLU A 7 -34.676 0.330 -5.125 1.00 1.00 H new ATOM 117 N THR A 8 -31.967 -3.144 -7.621 1.00 1.00 N ATOM 118 CA THR A 8 -30.875 -4.049 -7.996 1.00 1.00 C ATOM 119 C THR A 8 -30.031 -3.422 -9.102 1.00 1.00 C ATOM 120 O THR A 8 -30.558 -2.966 -10.117 1.00 1.00 O ATOM 121 CB THR A 8 -31.445 -5.394 -8.461 1.00 1.00 C ATOM 122 OG1 THR A 8 -32.204 -5.969 -7.408 1.00 1.00 O ATOM 123 CG2 THR A 8 -30.300 -6.341 -8.832 1.00 1.00 C ATOM 0 H THR A 8 -32.574 -2.871 -8.394 1.00 1.00 H new ATOM 0 HA THR A 8 -30.241 -4.218 -7.126 1.00 1.00 H new ATOM 0 HB THR A 8 -32.080 -5.235 -9.333 1.00 1.00 H new ATOM 0 HG1 THR A 8 -32.572 -6.829 -7.702 1.00 1.00 H new ATOM 0 HG21 THR A 8 -30.710 -7.296 -9.162 1.00 1.00 H new ATOM 0 HG22 THR A 8 -29.711 -5.902 -9.637 1.00 1.00 H new ATOM 0 HG23 THR A 8 -29.663 -6.501 -7.962 1.00 1.00 H new ATOM 131 N ARG A 9 -28.720 -3.396 -8.897 1.00 1.00 N ATOM 132 CA ARG A 9 -27.822 -2.822 -9.886 1.00 1.00 C ATOM 133 C ARG A 9 -27.699 -3.769 -11.068 1.00 1.00 C ATOM 134 O ARG A 9 -27.960 -4.965 -10.945 1.00 1.00 O ATOM 135 CB ARG A 9 -26.433 -2.574 -9.275 1.00 1.00 C ATOM 136 CG ARG A 9 -26.444 -1.297 -8.420 1.00 1.00 C ATOM 137 CD ARG A 9 -27.120 -1.574 -7.076 1.00 1.00 C ATOM 138 NE ARG A 9 -27.034 -0.396 -6.223 1.00 1.00 N ATOM 139 CZ ARG A 9 -27.920 0.593 -6.316 1.00 1.00 C ATOM 140 NH1 ARG A 9 -28.892 0.526 -7.183 1.00 1.00 N ATOM 141 NH2 ARG A 9 -27.820 1.636 -5.547 1.00 1.00 N ATOM 0 H ARG A 9 -28.260 -3.762 -8.063 1.00 1.00 H new ATOM 0 HA ARG A 9 -28.230 -1.868 -10.220 1.00 1.00 H new ATOM 0 HB2 ARG A 9 -26.141 -3.427 -8.662 1.00 1.00 H new ATOM 0 HB3 ARG A 9 -25.691 -2.482 -10.068 1.00 1.00 H new ATOM 0 HG2 ARG A 9 -25.424 -0.949 -8.259 1.00 1.00 H new ATOM 0 HG3 ARG A 9 -26.973 -0.502 -8.946 1.00 1.00 H new ATOM 0 HD2 ARG A 9 -28.164 -1.844 -7.234 1.00 1.00 H new ATOM 0 HD3 ARG A 9 -26.642 -2.423 -6.587 1.00 1.00 H new ATOM 0 HE ARG A 9 -26.279 -0.328 -5.540 1.00 1.00 H new ATOM 0 HH11 ARG A 9 -28.976 -0.287 -7.794 1.00 1.00 H new ATOM 0 HH12 ARG A 9 -29.569 1.286 -7.250 1.00 1.00 H new ATOM 0 HH21 ARG A 9 -27.060 1.699 -4.869 1.00 1.00 H new ATOM 0 HH22 ARG A 9 -28.501 2.392 -5.621 1.00 1.00 H new ATOM 155 N LYS A 10 -27.296 -3.227 -12.212 1.00 1.00 N ATOM 156 CA LYS A 10 -27.127 -4.031 -13.422 1.00 1.00 C ATOM 157 C LYS A 10 -25.734 -3.790 -14.005 1.00 1.00 C ATOM 158 O LYS A 10 -25.238 -2.660 -14.031 1.00 1.00 O ATOM 159 CB LYS A 10 -28.220 -3.689 -14.458 1.00 1.00 C ATOM 160 CG LYS A 10 -29.597 -4.127 -13.923 1.00 1.00 C ATOM 161 CD LYS A 10 -30.698 -3.775 -14.936 1.00 1.00 C ATOM 162 CE LYS A 10 -32.075 -4.136 -14.359 1.00 1.00 C ATOM 163 NZ LYS A 10 -32.179 -5.614 -14.202 1.00 1.00 N ATOM 0 H LYS A 10 -27.080 -2.237 -12.329 1.00 1.00 H new ATOM 0 HA LYS A 10 -27.227 -5.086 -13.167 1.00 1.00 H new ATOM 0 HB2 LYS A 10 -28.221 -2.618 -14.660 1.00 1.00 H new ATOM 0 HB3 LYS A 10 -28.009 -4.191 -15.402 1.00 1.00 H new ATOM 0 HG2 LYS A 10 -29.597 -5.200 -13.734 1.00 1.00 H new ATOM 0 HG3 LYS A 10 -29.798 -3.636 -12.971 1.00 1.00 H new ATOM 0 HD2 LYS A 10 -30.660 -2.712 -15.172 1.00 1.00 H new ATOM 0 HD3 LYS A 10 -30.532 -4.314 -15.869 1.00 1.00 H new ATOM 0 HE2 LYS A 10 -32.216 -3.647 -13.395 1.00 1.00 H new ATOM 0 HE3 LYS A 10 -32.863 -3.774 -15.019 1.00 1.00 H new ATOM 0 HZ1 LYS A 10 -33.172 -5.877 -14.042 1.00 1.00 H new ATOM 0 HZ2 LYS A 10 -31.832 -6.080 -15.065 1.00 1.00 H new ATOM 0 HZ3 LYS A 10 -31.605 -5.918 -13.390 1.00 1.00 H new ATOM 177 N ASP A 11 -25.108 -4.870 -14.460 1.00 1.00 N ATOM 178 CA ASP A 11 -23.775 -4.805 -15.048 1.00 1.00 C ATOM 179 C ASP A 11 -22.870 -3.825 -14.296 1.00 1.00 C ATOM 180 O ASP A 11 -22.540 -2.744 -14.795 1.00 1.00 O ATOM 181 CB ASP A 11 -23.905 -4.420 -16.519 1.00 1.00 C ATOM 182 CG ASP A 11 -24.552 -5.578 -17.282 1.00 1.00 C ATOM 183 OD1 ASP A 11 -24.636 -6.657 -16.718 1.00 1.00 O ATOM 184 OD2 ASP A 11 -24.965 -5.365 -18.410 1.00 1.00 O ATOM 0 H ASP A 11 -25.507 -5.808 -14.432 1.00 1.00 H new ATOM 0 HA ASP A 11 -23.303 -5.784 -14.968 1.00 1.00 H new ATOM 0 HB2 ASP A 11 -24.509 -3.518 -16.620 1.00 1.00 H new ATOM 0 HB3 ASP A 11 -22.924 -4.195 -16.937 1.00 1.00 H new ATOM 189 N LEU A 12 -22.468 -4.226 -13.090 1.00 1.00 N ATOM 190 CA LEU A 12 -21.597 -3.403 -12.258 1.00 1.00 C ATOM 191 C LEU A 12 -20.370 -2.941 -13.055 1.00 1.00 C ATOM 192 O LEU A 12 -19.880 -3.672 -13.918 1.00 1.00 O ATOM 193 CB LEU A 12 -21.130 -4.205 -11.035 1.00 1.00 C ATOM 194 CG LEU A 12 -22.311 -4.968 -10.426 1.00 1.00 C ATOM 195 CD1 LEU A 12 -21.886 -5.557 -9.080 1.00 1.00 C ATOM 196 CD2 LEU A 12 -23.487 -4.014 -10.206 1.00 1.00 C ATOM 0 H LEU A 12 -22.733 -5.117 -12.669 1.00 1.00 H new ATOM 0 HA LEU A 12 -22.161 -2.529 -11.932 1.00 1.00 H new ATOM 0 HB2 LEU A 12 -20.346 -4.904 -11.326 1.00 1.00 H new ATOM 0 HB3 LEU A 12 -20.699 -3.533 -10.293 1.00 1.00 H new ATOM 0 HG LEU A 12 -22.614 -5.765 -11.104 1.00 1.00 H new ATOM 0 HD11 LEU A 12 -22.722 -6.101 -8.641 1.00 1.00 H new ATOM 0 HD12 LEU A 12 -21.048 -6.238 -9.229 1.00 1.00 H new ATOM 0 HD13 LEU A 12 -21.585 -4.752 -8.409 1.00 1.00 H new ATOM 0 HD21 LEU A 12 -24.324 -4.562 -9.773 1.00 1.00 H new ATOM 0 HD22 LEU A 12 -23.186 -3.216 -9.528 1.00 1.00 H new ATOM 0 HD23 LEU A 12 -23.790 -3.584 -11.161 1.00 1.00 H new ATOM 208 N PRO A 13 -19.862 -1.758 -12.787 1.00 1.00 N ATOM 209 CA PRO A 13 -18.670 -1.223 -13.510 1.00 1.00 C ATOM 210 C PRO A 13 -17.401 -2.021 -13.190 1.00 1.00 C ATOM 211 O PRO A 13 -17.355 -2.753 -12.200 1.00 1.00 O ATOM 212 CB PRO A 13 -18.557 0.236 -13.019 1.00 1.00 C ATOM 213 CG PRO A 13 -19.299 0.281 -11.715 1.00 1.00 C ATOM 214 CD PRO A 13 -20.368 -0.808 -11.779 1.00 1.00 C ATOM 0 HA PRO A 13 -18.780 -1.294 -14.592 1.00 1.00 H new ATOM 0 HB2 PRO A 13 -17.515 0.526 -12.887 1.00 1.00 H new ATOM 0 HB3 PRO A 13 -18.991 0.927 -13.741 1.00 1.00 H new ATOM 0 HG2 PRO A 13 -18.622 0.109 -10.878 1.00 1.00 H new ATOM 0 HG3 PRO A 13 -19.753 1.260 -11.562 1.00 1.00 H new ATOM 0 HD2 PRO A 13 -20.503 -1.290 -10.811 1.00 1.00 H new ATOM 0 HD3 PRO A 13 -21.336 -0.399 -12.069 1.00 1.00 H new ATOM 222 N PRO A 14 -16.380 -1.891 -14.005 1.00 1.00 N ATOM 223 CA PRO A 14 -15.091 -2.613 -13.796 1.00 1.00 C ATOM 224 C PRO A 14 -14.272 -1.998 -12.662 1.00 1.00 C ATOM 225 O PRO A 14 -13.067 -1.776 -12.796 1.00 1.00 O ATOM 226 CB PRO A 14 -14.382 -2.470 -15.152 1.00 1.00 C ATOM 227 CG PRO A 14 -14.896 -1.181 -15.711 1.00 1.00 C ATOM 228 CD PRO A 14 -16.340 -1.043 -15.212 1.00 1.00 C ATOM 0 HA PRO A 14 -15.233 -3.652 -13.499 1.00 1.00 H new ATOM 0 HB2 PRO A 14 -13.299 -2.447 -15.033 1.00 1.00 H new ATOM 0 HB3 PRO A 14 -14.612 -3.308 -15.810 1.00 1.00 H new ATOM 0 HG2 PRO A 14 -14.287 -0.341 -15.377 1.00 1.00 H new ATOM 0 HG3 PRO A 14 -14.860 -1.187 -16.800 1.00 1.00 H new ATOM 0 HD2 PRO A 14 -16.586 -0.007 -14.981 1.00 1.00 H new ATOM 0 HD3 PRO A 14 -17.056 -1.380 -15.961 1.00 1.00 H new ATOM 236 N GLU A 15 -14.936 -1.733 -11.542 1.00 1.00 N ATOM 237 CA GLU A 15 -14.264 -1.156 -10.385 1.00 1.00 C ATOM 238 C GLU A 15 -13.258 -2.154 -9.815 1.00 1.00 C ATOM 239 O GLU A 15 -12.119 -1.801 -9.505 1.00 1.00 O ATOM 240 CB GLU A 15 -15.301 -0.797 -9.313 1.00 1.00 C ATOM 241 CG GLU A 15 -14.632 -0.045 -8.156 1.00 1.00 C ATOM 242 CD GLU A 15 -14.223 1.353 -8.607 1.00 1.00 C ATOM 243 OE1 GLU A 15 -14.599 1.733 -9.703 1.00 1.00 O ATOM 244 OE2 GLU A 15 -13.543 2.024 -7.849 1.00 1.00 O ATOM 0 H GLU A 15 -15.932 -1.907 -11.412 1.00 1.00 H new ATOM 0 HA GLU A 15 -13.735 -0.254 -10.692 1.00 1.00 H new ATOM 0 HB2 GLU A 15 -16.087 -0.181 -9.750 1.00 1.00 H new ATOM 0 HB3 GLU A 15 -15.777 -1.704 -8.940 1.00 1.00 H new ATOM 0 HG2 GLU A 15 -15.318 0.023 -7.311 1.00 1.00 H new ATOM 0 HG3 GLU A 15 -13.756 -0.595 -7.812 1.00 1.00 H new ATOM 251 N ALA A 16 -13.689 -3.406 -9.695 1.00 1.00 N ATOM 252 CA ALA A 16 -12.834 -4.465 -9.177 1.00 1.00 C ATOM 253 C ALA A 16 -11.823 -4.892 -10.234 1.00 1.00 C ATOM 254 O ALA A 16 -10.660 -5.164 -9.928 1.00 1.00 O ATOM 255 CB ALA A 16 -13.694 -5.657 -8.759 1.00 1.00 C ATOM 0 H ALA A 16 -14.628 -3.711 -9.951 1.00 1.00 H new ATOM 0 HA ALA A 16 -12.290 -4.092 -8.309 1.00 1.00 H new ATOM 0 HB1 ALA A 16 -13.054 -6.449 -8.371 1.00 1.00 H new ATOM 0 HB2 ALA A 16 -14.395 -5.346 -7.985 1.00 1.00 H new ATOM 0 HB3 ALA A 16 -14.247 -6.027 -9.622 1.00 1.00 H new ATOM 261 N LEU A 17 -12.274 -4.942 -11.484 1.00 1.00 N ATOM 262 CA LEU A 17 -11.401 -5.329 -12.580 1.00 1.00 C ATOM 263 C LEU A 17 -10.274 -4.313 -12.726 1.00 1.00 C ATOM 264 O LEU A 17 -9.108 -4.678 -12.879 1.00 1.00 O ATOM 265 CB LEU A 17 -12.210 -5.415 -13.881 1.00 1.00 C ATOM 266 CG LEU A 17 -11.277 -5.719 -15.060 1.00 1.00 C ATOM 267 CD1 LEU A 17 -10.544 -7.045 -14.809 1.00 1.00 C ATOM 268 CD2 LEU A 17 -12.100 -5.829 -16.340 1.00 1.00 C ATOM 0 H LEU A 17 -13.231 -4.721 -11.759 1.00 1.00 H new ATOM 0 HA LEU A 17 -10.968 -6.307 -12.368 1.00 1.00 H new ATOM 0 HB2 LEU A 17 -12.968 -6.193 -13.797 1.00 1.00 H new ATOM 0 HB3 LEU A 17 -12.735 -4.476 -14.055 1.00 1.00 H new ATOM 0 HG LEU A 17 -10.547 -4.916 -15.161 1.00 1.00 H new ATOM 0 HD11 LEU A 17 -9.882 -7.259 -15.648 1.00 1.00 H new ATOM 0 HD12 LEU A 17 -9.957 -6.969 -13.894 1.00 1.00 H new ATOM 0 HD13 LEU A 17 -11.272 -7.850 -14.707 1.00 1.00 H new ATOM 0 HD21 LEU A 17 -11.440 -6.045 -17.180 1.00 1.00 H new ATOM 0 HD22 LEU A 17 -12.829 -6.632 -16.236 1.00 1.00 H new ATOM 0 HD23 LEU A 17 -12.620 -4.888 -16.520 1.00 1.00 H new ATOM 280 N ARG A 18 -10.633 -3.035 -12.669 1.00 1.00 N ATOM 281 CA ARG A 18 -9.648 -1.973 -12.782 1.00 1.00 C ATOM 282 C ARG A 18 -8.709 -2.026 -11.581 1.00 1.00 C ATOM 283 O ARG A 18 -7.512 -1.763 -11.702 1.00 1.00 O ATOM 284 CB ARG A 18 -10.338 -0.606 -12.867 1.00 1.00 C ATOM 285 CG ARG A 18 -9.300 0.496 -13.153 1.00 1.00 C ATOM 286 CD ARG A 18 -9.011 0.575 -14.655 1.00 1.00 C ATOM 287 NE ARG A 18 -8.123 1.694 -14.925 1.00 1.00 N ATOM 288 CZ ARG A 18 -6.805 1.583 -14.773 1.00 1.00 C ATOM 289 NH1 ARG A 18 -6.283 0.457 -14.380 1.00 1.00 N ATOM 290 NH2 ARG A 18 -6.030 2.599 -15.008 1.00 1.00 N ATOM 0 H ARG A 18 -11.593 -2.714 -12.546 1.00 1.00 H new ATOM 0 HA ARG A 18 -9.070 -2.115 -13.695 1.00 1.00 H new ATOM 0 HB2 ARG A 18 -11.092 -0.619 -13.654 1.00 1.00 H new ATOM 0 HB3 ARG A 18 -10.857 -0.393 -11.932 1.00 1.00 H new ATOM 0 HG2 ARG A 18 -9.671 1.457 -12.796 1.00 1.00 H new ATOM 0 HG3 ARG A 18 -8.379 0.288 -12.609 1.00 1.00 H new ATOM 0 HD2 ARG A 18 -8.555 -0.354 -14.997 1.00 1.00 H new ATOM 0 HD3 ARG A 18 -9.942 0.696 -15.208 1.00 1.00 H new ATOM 0 HE ARG A 18 -8.517 2.581 -15.237 1.00 1.00 H new ATOM 0 HH11 ARG A 18 -6.884 -0.344 -14.187 1.00 1.00 H new ATOM 0 HH12 ARG A 18 -5.273 0.376 -14.265 1.00 1.00 H new ATOM 0 HH21 ARG A 18 -6.431 3.487 -15.310 1.00 1.00 H new ATOM 0 HH22 ARG A 18 -5.021 2.509 -14.890 1.00 1.00 H new ATOM 304 N ALA A 19 -9.264 -2.371 -10.423 1.00 1.00 N ATOM 305 CA ALA A 19 -8.463 -2.462 -9.206 1.00 1.00 C ATOM 306 C ALA A 19 -7.324 -3.453 -9.427 1.00 1.00 C ATOM 307 O ALA A 19 -6.182 -3.206 -9.034 1.00 1.00 O ATOM 308 CB ALA A 19 -9.339 -2.921 -8.036 1.00 1.00 C ATOM 0 H ALA A 19 -10.253 -2.590 -10.301 1.00 1.00 H new ATOM 0 HA ALA A 19 -8.050 -1.482 -8.969 1.00 1.00 H new ATOM 0 HB1 ALA A 19 -8.734 -2.986 -7.132 1.00 1.00 H new ATOM 0 HB2 ALA A 19 -10.145 -2.204 -7.882 1.00 1.00 H new ATOM 0 HB3 ALA A 19 -9.762 -3.900 -8.261 1.00 1.00 H new ATOM 314 N LEU A 20 -7.643 -4.564 -10.079 1.00 1.00 N ATOM 315 CA LEU A 20 -6.646 -5.583 -10.373 1.00 1.00 C ATOM 316 C LEU A 20 -5.575 -5.002 -11.291 1.00 1.00 C ATOM 317 O LEU A 20 -4.381 -5.251 -11.109 1.00 1.00 O ATOM 318 CB LEU A 20 -7.314 -6.791 -11.045 1.00 1.00 C ATOM 319 CG LEU A 20 -8.249 -7.491 -10.046 1.00 1.00 C ATOM 320 CD1 LEU A 20 -9.043 -8.586 -10.769 1.00 1.00 C ATOM 321 CD2 LEU A 20 -7.432 -8.125 -8.907 1.00 1.00 C ATOM 0 H LEU A 20 -8.582 -4.781 -10.413 1.00 1.00 H new ATOM 0 HA LEU A 20 -6.182 -5.910 -9.443 1.00 1.00 H new ATOM 0 HB2 LEU A 20 -7.878 -6.466 -11.919 1.00 1.00 H new ATOM 0 HB3 LEU A 20 -6.554 -7.489 -11.397 1.00 1.00 H new ATOM 0 HG LEU A 20 -8.933 -6.753 -9.627 1.00 1.00 H new ATOM 0 HD11 LEU A 20 -9.706 -9.083 -10.061 1.00 1.00 H new ATOM 0 HD12 LEU A 20 -9.635 -8.139 -11.568 1.00 1.00 H new ATOM 0 HD13 LEU A 20 -8.353 -9.316 -11.193 1.00 1.00 H new ATOM 0 HD21 LEU A 20 -8.106 -8.618 -8.206 1.00 1.00 H new ATOM 0 HD22 LEU A 20 -6.739 -8.858 -9.320 1.00 1.00 H new ATOM 0 HD23 LEU A 20 -6.871 -7.349 -8.386 1.00 1.00 H new ATOM 333 N ALA A 21 -6.013 -4.214 -12.268 1.00 1.00 N ATOM 334 CA ALA A 21 -5.093 -3.584 -13.208 1.00 1.00 C ATOM 335 C ALA A 21 -4.187 -2.586 -12.487 1.00 1.00 C ATOM 336 O ALA A 21 -2.994 -2.497 -12.778 1.00 1.00 O ATOM 337 CB ALA A 21 -5.886 -2.880 -14.311 1.00 1.00 C ATOM 0 H ALA A 21 -6.997 -3.997 -12.429 1.00 1.00 H new ATOM 0 HA ALA A 21 -4.464 -4.354 -13.655 1.00 1.00 H new ATOM 0 HB1 ALA A 21 -5.196 -2.410 -15.012 1.00 1.00 H new ATOM 0 HB2 ALA A 21 -6.500 -3.609 -14.840 1.00 1.00 H new ATOM 0 HB3 ALA A 21 -6.528 -2.118 -13.868 1.00 1.00 H new ATOM 343 N GLU A 22 -4.753 -1.846 -11.531 1.00 1.00 N ATOM 344 CA GLU A 22 -3.967 -0.878 -10.772 1.00 1.00 C ATOM 345 C GLU A 22 -2.956 -1.617 -9.894 1.00 1.00 C ATOM 346 O GLU A 22 -1.817 -1.184 -9.732 1.00 1.00 O ATOM 347 CB GLU A 22 -4.885 -0.006 -9.905 1.00 1.00 C ATOM 348 CG GLU A 22 -5.730 0.906 -10.809 1.00 1.00 C ATOM 349 CD GLU A 22 -6.689 1.756 -9.970 1.00 1.00 C ATOM 350 OE1 GLU A 22 -6.209 2.582 -9.210 1.00 1.00 O ATOM 351 OE2 GLU A 22 -7.889 1.573 -10.109 1.00 1.00 O ATOM 0 H GLU A 22 -5.737 -1.898 -11.269 1.00 1.00 H new ATOM 0 HA GLU A 22 -3.433 -0.229 -11.467 1.00 1.00 H new ATOM 0 HB2 GLU A 22 -5.534 -0.636 -9.297 1.00 1.00 H new ATOM 0 HB3 GLU A 22 -4.290 0.596 -9.218 1.00 1.00 H new ATOM 0 HG2 GLU A 22 -5.077 1.554 -11.393 1.00 1.00 H new ATOM 0 HG3 GLU A 22 -6.296 0.301 -11.518 1.00 1.00 H new ATOM 358 N ALA A 23 -3.383 -2.751 -9.346 1.00 1.00 N ATOM 359 CA ALA A 23 -2.509 -3.563 -8.503 1.00 1.00 C ATOM 360 C ALA A 23 -1.341 -4.093 -9.329 1.00 1.00 C ATOM 361 O ALA A 23 -0.238 -4.284 -8.818 1.00 1.00 O ATOM 362 CB ALA A 23 -3.299 -4.734 -7.909 1.00 1.00 C ATOM 0 H ALA A 23 -4.323 -3.127 -9.469 1.00 1.00 H new ATOM 0 HA ALA A 23 -2.122 -2.946 -7.692 1.00 1.00 H new ATOM 0 HB1 ALA A 23 -2.641 -5.335 -7.281 1.00 1.00 H new ATOM 0 HB2 ALA A 23 -4.123 -4.349 -7.307 1.00 1.00 H new ATOM 0 HB3 ALA A 23 -3.696 -5.351 -8.715 1.00 1.00 H new ATOM 368 N GLU A 24 -1.602 -4.324 -10.616 1.00 1.00 N ATOM 369 CA GLU A 24 -0.580 -4.829 -11.527 1.00 1.00 C ATOM 370 C GLU A 24 0.484 -3.762 -11.781 1.00 1.00 C ATOM 371 O GLU A 24 1.676 -4.066 -11.870 1.00 1.00 O ATOM 372 CB GLU A 24 -1.232 -5.243 -12.853 1.00 1.00 C ATOM 373 CG GLU A 24 -0.181 -5.872 -13.774 1.00 1.00 C ATOM 374 CD GLU A 24 -0.821 -6.324 -15.085 1.00 1.00 C ATOM 375 OE1 GLU A 24 -1.957 -5.950 -15.329 1.00 1.00 O ATOM 376 OE2 GLU A 24 -0.163 -7.037 -15.828 1.00 1.00 O ATOM 0 H GLU A 24 -2.512 -4.169 -11.049 1.00 1.00 H new ATOM 0 HA GLU A 24 -0.100 -5.696 -11.073 1.00 1.00 H new ATOM 0 HB2 GLU A 24 -2.037 -5.953 -12.667 1.00 1.00 H new ATOM 0 HB3 GLU A 24 -1.679 -4.374 -13.336 1.00 1.00 H new ATOM 0 HG2 GLU A 24 0.610 -5.151 -13.978 1.00 1.00 H new ATOM 0 HG3 GLU A 24 0.284 -6.723 -13.277 1.00 1.00 H new ATOM 383 N GLU A 25 0.043 -2.508 -11.895 1.00 1.00 N ATOM 384 CA GLU A 25 0.964 -1.401 -12.137 1.00 1.00 C ATOM 385 C GLU A 25 2.145 -1.486 -11.179 1.00 1.00 C ATOM 386 O GLU A 25 3.180 -0.846 -11.388 1.00 1.00 O ATOM 387 CB GLU A 25 0.256 -0.057 -11.927 1.00 1.00 C ATOM 388 CG GLU A 25 -0.819 0.159 -12.995 1.00 1.00 C ATOM 389 CD GLU A 25 -1.525 1.490 -12.741 1.00 1.00 C ATOM 390 OE1 GLU A 25 -1.817 1.772 -11.589 1.00 1.00 O ATOM 391 OE2 GLU A 25 -1.756 2.210 -13.698 1.00 1.00 O ATOM 0 H GLU A 25 -0.938 -2.237 -11.824 1.00 1.00 H new ATOM 0 HA GLU A 25 1.314 -1.470 -13.167 1.00 1.00 H new ATOM 0 HB2 GLU A 25 -0.198 -0.030 -10.936 1.00 1.00 H new ATOM 0 HB3 GLU A 25 0.984 0.754 -11.967 1.00 1.00 H new ATOM 0 HG2 GLU A 25 -0.367 0.158 -13.987 1.00 1.00 H new ATOM 0 HG3 GLU A 25 -1.540 -0.658 -12.972 1.00 1.00 H new ATOM 398 N ARG A 26 1.978 -2.275 -10.116 1.00 1.00 N ATOM 399 CA ARG A 26 3.030 -2.443 -9.109 1.00 1.00 C ATOM 400 C ARG A 26 3.080 -3.886 -8.599 1.00 1.00 C ATOM 401 O ARG A 26 2.057 -4.564 -8.506 1.00 1.00 O ATOM 402 CB ARG A 26 2.773 -1.482 -7.939 1.00 1.00 C ATOM 403 CG ARG A 26 1.445 -1.826 -7.259 1.00 1.00 C ATOM 404 CD ARG A 26 1.166 -0.825 -6.137 1.00 1.00 C ATOM 405 NE ARG A 26 -0.088 -1.167 -5.474 1.00 1.00 N ATOM 406 CZ ARG A 26 -0.121 -2.026 -4.460 1.00 1.00 C ATOM 407 NH1 ARG A 26 0.981 -2.575 -4.031 1.00 1.00 N ATOM 408 NH2 ARG A 26 -1.257 -2.323 -3.898 1.00 1.00 N ATOM 0 H ARG A 26 1.128 -2.807 -9.930 1.00 1.00 H new ATOM 0 HA ARG A 26 3.991 -2.215 -9.569 1.00 1.00 H new ATOM 0 HB2 ARG A 26 3.588 -1.548 -7.218 1.00 1.00 H new ATOM 0 HB3 ARG A 26 2.750 -0.454 -8.301 1.00 1.00 H new ATOM 0 HG2 ARG A 26 0.635 -1.804 -7.989 1.00 1.00 H new ATOM 0 HG3 ARG A 26 1.483 -2.838 -6.856 1.00 1.00 H new ATOM 0 HD2 ARG A 26 1.984 -0.834 -5.417 1.00 1.00 H new ATOM 0 HD3 ARG A 26 1.110 0.185 -6.543 1.00 1.00 H new ATOM 0 HE ARG A 26 -0.956 -0.739 -5.795 1.00 1.00 H new ATOM 0 HH11 ARG A 26 1.871 -2.346 -4.474 1.00 1.00 H new ATOM 0 HH12 ARG A 26 0.953 -3.234 -3.253 1.00 1.00 H new ATOM 0 HH21 ARG A 26 -2.120 -1.897 -4.236 1.00 1.00 H new ATOM 0 HH22 ARG A 26 -1.284 -2.982 -3.120 1.00 1.00 H new ATOM 422 N ARG A 27 4.285 -4.346 -8.259 1.00 1.00 N ATOM 423 CA ARG A 27 4.470 -5.710 -7.745 1.00 1.00 C ATOM 424 C ARG A 27 5.553 -5.725 -6.665 1.00 1.00 C ATOM 425 O ARG A 27 6.439 -4.869 -6.649 1.00 1.00 O ATOM 426 CB ARG A 27 4.866 -6.672 -8.875 1.00 1.00 C ATOM 427 CG ARG A 27 3.699 -6.864 -9.852 1.00 1.00 C ATOM 428 CD ARG A 27 4.139 -7.799 -10.977 1.00 1.00 C ATOM 429 NE ARG A 27 5.159 -7.145 -11.785 1.00 1.00 N ATOM 430 CZ ARG A 27 4.833 -6.300 -12.755 1.00 1.00 C ATOM 431 NH1 ARG A 27 3.582 -6.043 -13.015 1.00 1.00 N ATOM 432 NH2 ARG A 27 5.766 -5.716 -13.447 1.00 1.00 N ATOM 0 H ARG A 27 5.144 -3.801 -8.328 1.00 1.00 H new ATOM 0 HA ARG A 27 3.523 -6.039 -7.317 1.00 1.00 H new ATOM 0 HB2 ARG A 27 5.733 -6.280 -9.407 1.00 1.00 H new ATOM 0 HB3 ARG A 27 5.158 -7.634 -8.455 1.00 1.00 H new ATOM 0 HG2 ARG A 27 2.837 -7.281 -9.331 1.00 1.00 H new ATOM 0 HG3 ARG A 27 3.389 -5.903 -10.261 1.00 1.00 H new ATOM 0 HD2 ARG A 27 4.531 -8.727 -10.560 1.00 1.00 H new ATOM 0 HD3 ARG A 27 3.284 -8.065 -11.598 1.00 1.00 H new ATOM 0 HE ARG A 27 6.143 -7.340 -11.602 1.00 1.00 H new ATOM 0 HH11 ARG A 27 2.845 -6.493 -12.471 1.00 1.00 H new ATOM 0 HH12 ARG A 27 3.340 -5.392 -13.762 1.00 1.00 H new ATOM 0 HH21 ARG A 27 6.747 -5.908 -13.244 1.00 1.00 H new ATOM 0 HH22 ARG A 27 5.517 -5.066 -14.193 1.00 1.00 H new ATOM 446 N ARG A 28 5.466 -6.699 -5.760 1.00 1.00 N ATOM 447 CA ARG A 28 6.431 -6.820 -4.667 1.00 1.00 C ATOM 448 C ARG A 28 7.849 -7.027 -5.205 1.00 1.00 C ATOM 449 O ARG A 28 8.804 -6.427 -4.708 1.00 1.00 O ATOM 450 CB ARG A 28 6.034 -7.995 -3.763 1.00 1.00 C ATOM 451 CG ARG A 28 6.982 -8.075 -2.565 1.00 1.00 C ATOM 452 CD ARG A 28 6.570 -9.236 -1.658 1.00 1.00 C ATOM 453 NE ARG A 28 5.274 -8.956 -1.047 1.00 1.00 N ATOM 454 CZ ARG A 28 4.709 -9.812 -0.202 1.00 1.00 C ATOM 455 NH1 ARG A 28 5.309 -10.928 0.100 1.00 1.00 N ATOM 456 NH2 ARG A 28 3.550 -9.533 0.327 1.00 1.00 N ATOM 0 H ARG A 28 4.739 -7.414 -5.761 1.00 1.00 H new ATOM 0 HA ARG A 28 6.422 -5.895 -4.091 1.00 1.00 H new ATOM 0 HB2 ARG A 28 5.008 -7.869 -3.418 1.00 1.00 H new ATOM 0 HB3 ARG A 28 6.068 -8.927 -4.327 1.00 1.00 H new ATOM 0 HG2 ARG A 28 8.007 -8.215 -2.909 1.00 1.00 H new ATOM 0 HG3 ARG A 28 6.958 -7.139 -2.007 1.00 1.00 H new ATOM 0 HD2 ARG A 28 6.517 -10.159 -2.236 1.00 1.00 H new ATOM 0 HD3 ARG A 28 7.322 -9.388 -0.883 1.00 1.00 H new ATOM 0 HE ARG A 28 4.792 -8.086 -1.273 1.00 1.00 H new ATOM 0 HH11 ARG A 28 6.216 -11.147 -0.312 1.00 1.00 H new ATOM 0 HH12 ARG A 28 4.872 -11.582 0.749 1.00 1.00 H new ATOM 0 HH21 ARG A 28 3.079 -8.659 0.092 1.00 1.00 H new ATOM 0 HH22 ARG A 28 3.114 -10.189 0.976 1.00 1.00 H new ATOM 470 N ARG A 29 7.976 -7.871 -6.223 1.00 1.00 N ATOM 471 CA ARG A 29 9.277 -8.149 -6.828 1.00 1.00 C ATOM 472 C ARG A 29 9.854 -6.879 -7.464 1.00 1.00 C ATOM 473 O ARG A 29 11.064 -6.653 -7.440 1.00 1.00 O ATOM 474 CB ARG A 29 9.123 -9.243 -7.896 1.00 1.00 C ATOM 475 CG ARG A 29 8.804 -10.585 -7.220 1.00 1.00 C ATOM 476 CD ARG A 29 8.522 -11.654 -8.283 1.00 1.00 C ATOM 477 NE ARG A 29 9.704 -11.851 -9.112 1.00 1.00 N ATOM 478 CZ ARG A 29 9.681 -12.628 -10.191 1.00 1.00 C ATOM 479 NH1 ARG A 29 8.586 -13.239 -10.545 1.00 1.00 N ATOM 480 NH2 ARG A 29 10.764 -12.782 -10.899 1.00 1.00 N ATOM 0 H ARG A 29 7.197 -8.374 -6.647 1.00 1.00 H new ATOM 0 HA ARG A 29 9.962 -8.491 -6.052 1.00 1.00 H new ATOM 0 HB2 ARG A 29 8.327 -8.977 -8.591 1.00 1.00 H new ATOM 0 HB3 ARG A 29 10.040 -9.327 -8.479 1.00 1.00 H new ATOM 0 HG2 ARG A 29 9.641 -10.894 -6.594 1.00 1.00 H new ATOM 0 HG3 ARG A 29 7.940 -10.475 -6.565 1.00 1.00 H new ATOM 0 HD2 ARG A 29 8.243 -12.592 -7.803 1.00 1.00 H new ATOM 0 HD3 ARG A 29 7.679 -11.350 -8.903 1.00 1.00 H new ATOM 0 HE ARG A 29 10.572 -11.380 -8.858 1.00 1.00 H new ATOM 0 HH11 ARG A 29 7.736 -13.123 -9.993 1.00 1.00 H new ATOM 0 HH12 ARG A 29 8.579 -13.833 -11.374 1.00 1.00 H new ATOM 0 HH21 ARG A 29 11.624 -12.308 -10.625 1.00 1.00 H new ATOM 0 HH22 ARG A 29 10.751 -13.377 -11.727 1.00 1.00 H new ATOM 494 N ALA A 30 8.972 -6.059 -8.028 1.00 1.00 N ATOM 495 CA ALA A 30 9.385 -4.813 -8.671 1.00 1.00 C ATOM 496 C ALA A 30 9.986 -3.846 -7.654 1.00 1.00 C ATOM 497 O ALA A 30 10.930 -3.114 -7.958 1.00 1.00 O ATOM 498 CB ALA A 30 8.183 -4.164 -9.360 1.00 1.00 C ATOM 0 H ALA A 30 7.967 -6.234 -8.053 1.00 1.00 H new ATOM 0 HA ALA A 30 10.149 -5.045 -9.413 1.00 1.00 H new ATOM 0 HB1 ALA A 30 8.495 -3.235 -9.838 1.00 1.00 H new ATOM 0 HB2 ALA A 30 7.785 -4.844 -10.113 1.00 1.00 H new ATOM 0 HB3 ALA A 30 7.412 -3.950 -8.620 1.00 1.00 H new ATOM 504 N LYS A 31 9.439 -3.849 -6.444 1.00 1.00 N ATOM 505 CA LYS A 31 9.938 -2.971 -5.389 1.00 1.00 C ATOM 506 C LYS A 31 11.338 -3.394 -4.962 1.00 1.00 C ATOM 507 O LYS A 31 11.960 -2.742 -4.123 1.00 1.00 O ATOM 508 CB LYS A 31 8.992 -3.005 -4.184 1.00 1.00 C ATOM 509 CG LYS A 31 7.596 -2.512 -4.596 1.00 1.00 C ATOM 510 CD LYS A 31 7.622 -0.998 -4.858 1.00 1.00 C ATOM 511 CE LYS A 31 6.197 -0.437 -4.821 1.00 1.00 C ATOM 512 NZ LYS A 31 5.781 -0.240 -3.405 1.00 1.00 N ATOM 0 H LYS A 31 8.657 -4.443 -6.169 1.00 1.00 H new ATOM 0 HA LYS A 31 9.983 -1.954 -5.778 1.00 1.00 H new ATOM 0 HB2 LYS A 31 8.927 -4.020 -3.791 1.00 1.00 H new ATOM 0 HB3 LYS A 31 9.386 -2.378 -3.384 1.00 1.00 H new ATOM 0 HG2 LYS A 31 7.267 -3.038 -5.492 1.00 1.00 H new ATOM 0 HG3 LYS A 31 6.876 -2.740 -3.810 1.00 1.00 H new ATOM 0 HD2 LYS A 31 8.237 -0.501 -4.108 1.00 1.00 H new ATOM 0 HD3 LYS A 31 8.076 -0.796 -5.828 1.00 1.00 H new ATOM 0 HE2 LYS A 31 6.153 0.509 -5.360 1.00 1.00 H new ATOM 0 HE3 LYS A 31 5.512 -1.121 -5.321 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 4.756 -0.393 -3.320 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 6.284 -0.918 -2.798 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 6.012 0.729 -3.107 1.00 1.00 H new ATOM 526 N ALA A 32 11.826 -4.484 -5.548 1.00 1.00 N ATOM 527 CA ALA A 32 13.161 -4.985 -5.231 1.00 1.00 C ATOM 528 C ALA A 32 13.164 -5.671 -3.867 1.00 1.00 C ATOM 529 O ALA A 32 13.968 -5.330 -2.994 1.00 1.00 O ATOM 530 CB ALA A 32 14.172 -3.829 -5.241 1.00 1.00 C ATOM 0 H ALA A 32 11.320 -5.035 -6.242 1.00 1.00 H new ATOM 0 HA ALA A 32 13.448 -5.715 -5.988 1.00 1.00 H new ATOM 0 HB1 ALA A 32 15.165 -4.212 -5.004 1.00 1.00 H new ATOM 0 HB2 ALA A 32 14.188 -3.368 -6.228 1.00 1.00 H new ATOM 0 HB3 ALA A 32 13.882 -3.086 -4.498 1.00 1.00 H new ATOM 536 N LEU A 33 12.264 -6.636 -3.689 1.00 1.00 N ATOM 537 CA LEU A 33 12.176 -7.364 -2.426 1.00 1.00 C ATOM 538 C LEU A 33 11.646 -8.779 -2.652 1.00 1.00 C ATOM 539 O LEU A 33 10.444 -9.029 -2.538 1.00 1.00 O ATOM 540 CB LEU A 33 11.250 -6.612 -1.457 1.00 1.00 C ATOM 541 CG LEU A 33 11.167 -7.361 -0.116 1.00 1.00 C ATOM 542 CD1 LEU A 33 12.564 -7.453 0.518 1.00 1.00 C ATOM 543 CD2 LEU A 33 10.229 -6.608 0.827 1.00 1.00 C ATOM 0 H LEU A 33 11.591 -6.930 -4.397 1.00 1.00 H new ATOM 0 HA LEU A 33 13.175 -7.433 -1.996 1.00 1.00 H new ATOM 0 HB2 LEU A 33 11.624 -5.601 -1.295 1.00 1.00 H new ATOM 0 HB3 LEU A 33 10.255 -6.518 -1.892 1.00 1.00 H new ATOM 0 HG LEU A 33 10.785 -8.367 -0.289 1.00 1.00 H new ATOM 0 HD11 LEU A 33 12.498 -7.984 1.467 1.00 1.00 H new ATOM 0 HD12 LEU A 33 13.234 -7.991 -0.153 1.00 1.00 H new ATOM 0 HD13 LEU A 33 12.952 -6.449 0.690 1.00 1.00 H new ATOM 0 HD21 LEU A 33 10.168 -7.137 1.778 1.00 1.00 H new ATOM 0 HD22 LEU A 33 10.613 -5.602 0.995 1.00 1.00 H new ATOM 0 HD23 LEU A 33 9.236 -6.548 0.381 1.00 1.00 H new ATOM 555 N ASP A 34 12.550 -9.698 -2.964 1.00 1.00 N ATOM 556 CA ASP A 34 12.177 -11.089 -3.207 1.00 1.00 C ATOM 557 C ASP A 34 11.594 -11.733 -1.946 1.00 1.00 C ATOM 558 O ASP A 34 10.633 -12.500 -2.021 1.00 1.00 O ATOM 559 CB ASP A 34 13.411 -11.870 -3.668 1.00 1.00 C ATOM 560 CG ASP A 34 13.043 -13.316 -3.977 1.00 1.00 C ATOM 561 OD1 ASP A 34 11.904 -13.682 -3.737 1.00 1.00 O ATOM 562 OD2 ASP A 34 13.905 -14.036 -4.456 1.00 1.00 O ATOM 0 H ASP A 34 13.548 -9.507 -3.055 1.00 1.00 H new ATOM 0 HA ASP A 34 11.411 -11.114 -3.982 1.00 1.00 H new ATOM 0 HB2 ASP A 34 13.836 -11.399 -4.555 1.00 1.00 H new ATOM 0 HB3 ASP A 34 14.177 -11.841 -2.893 1.00 1.00 H new ATOM 567 N LEU A 35 12.178 -11.406 -0.793 1.00 1.00 N ATOM 568 CA LEU A 35 11.707 -11.940 0.485 1.00 1.00 C ATOM 569 C LEU A 35 12.173 -13.385 0.693 1.00 1.00 C ATOM 570 O LEU A 35 11.357 -14.287 0.898 1.00 1.00 O ATOM 571 CB LEU A 35 10.168 -11.868 0.543 1.00 1.00 C ATOM 572 CG LEU A 35 9.692 -11.719 2.004 1.00 1.00 C ATOM 573 CD1 LEU A 35 9.698 -10.240 2.405 1.00 1.00 C ATOM 574 CD2 LEU A 35 8.266 -12.265 2.133 1.00 1.00 C ATOM 0 H LEU A 35 12.976 -10.775 -0.718 1.00 1.00 H new ATOM 0 HA LEU A 35 12.132 -11.333 1.285 1.00 1.00 H new ATOM 0 HB2 LEU A 35 9.814 -11.024 -0.049 1.00 1.00 H new ATOM 0 HB3 LEU A 35 9.738 -12.768 0.104 1.00 1.00 H new ATOM 0 HG LEU A 35 10.364 -12.276 2.657 1.00 1.00 H new ATOM 0 HD11 LEU A 35 9.361 -10.141 3.437 1.00 1.00 H new ATOM 0 HD12 LEU A 35 10.709 -9.842 2.314 1.00 1.00 H new ATOM 0 HD13 LEU A 35 9.028 -9.683 1.750 1.00 1.00 H new ATOM 0 HD21 LEU A 35 7.928 -12.161 3.164 1.00 1.00 H new ATOM 0 HD22 LEU A 35 7.601 -11.705 1.475 1.00 1.00 H new ATOM 0 HD23 LEU A 35 8.253 -13.318 1.852 1.00 1.00 H new ATOM 586 N PRO A 36 13.456 -13.615 0.653 1.00 1.00 N ATOM 587 CA PRO A 36 14.031 -14.981 0.847 1.00 1.00 C ATOM 588 C PRO A 36 13.826 -15.507 2.272 1.00 1.00 C ATOM 589 O PRO A 36 13.944 -16.708 2.516 1.00 1.00 O ATOM 590 CB PRO A 36 15.530 -14.800 0.523 1.00 1.00 C ATOM 591 CG PRO A 36 15.808 -13.340 0.728 1.00 1.00 C ATOM 592 CD PRO A 36 14.502 -12.602 0.416 1.00 1.00 C ATOM 0 HA PRO A 36 13.544 -15.721 0.212 1.00 1.00 H new ATOM 0 HB2 PRO A 36 16.150 -15.414 1.176 1.00 1.00 H new ATOM 0 HB3 PRO A 36 15.750 -15.102 -0.501 1.00 1.00 H new ATOM 0 HG2 PRO A 36 16.129 -13.146 1.752 1.00 1.00 H new ATOM 0 HG3 PRO A 36 16.611 -13.002 0.073 1.00 1.00 H new ATOM 0 HD2 PRO A 36 14.370 -11.733 1.061 1.00 1.00 H new ATOM 0 HD3 PRO A 36 14.483 -12.241 -0.612 1.00 1.00 H new ATOM 600 N LYS A 37 13.531 -14.605 3.205 1.00 1.00 N ATOM 601 CA LYS A 37 13.331 -14.999 4.603 1.00 1.00 C ATOM 602 C LYS A 37 12.151 -15.971 4.744 1.00 1.00 C ATOM 603 O LYS A 37 11.092 -15.767 4.147 1.00 1.00 O ATOM 604 CB LYS A 37 13.065 -13.754 5.460 1.00 1.00 C ATOM 605 CG LYS A 37 14.332 -12.888 5.514 1.00 1.00 C ATOM 606 CD LYS A 37 14.041 -11.583 6.270 1.00 1.00 C ATOM 607 CE LYS A 37 13.985 -11.843 7.779 1.00 1.00 C ATOM 608 NZ LYS A 37 14.024 -10.541 8.501 1.00 1.00 N ATOM 0 H LYS A 37 13.425 -13.607 3.025 1.00 1.00 H new ATOM 0 HA LYS A 37 14.236 -15.501 4.944 1.00 1.00 H new ATOM 0 HB2 LYS A 37 12.238 -13.181 5.041 1.00 1.00 H new ATOM 0 HB3 LYS A 37 12.770 -14.049 6.467 1.00 1.00 H new ATOM 0 HG2 LYS A 37 15.135 -13.434 6.009 1.00 1.00 H new ATOM 0 HG3 LYS A 37 14.674 -12.665 4.503 1.00 1.00 H new ATOM 0 HD2 LYS A 37 14.814 -10.847 6.049 1.00 1.00 H new ATOM 0 HD3 LYS A 37 13.094 -11.162 5.931 1.00 1.00 H new ATOM 0 HE2 LYS A 37 13.075 -12.386 8.033 1.00 1.00 H new ATOM 0 HE3 LYS A 37 14.825 -12.467 8.084 1.00 1.00 H new ATOM 0 HZ1 LYS A 37 14.497 -10.667 9.419 1.00 1.00 H new ATOM 0 HZ2 LYS A 37 14.549 -9.845 7.934 1.00 1.00 H new ATOM 0 HZ3 LYS A 37 13.054 -10.201 8.656 1.00 1.00 H new ATOM 622 N GLU A 38 12.337 -17.022 5.546 1.00 1.00 N ATOM 623 CA GLU A 38 11.274 -18.007 5.759 1.00 1.00 C ATOM 624 C GLU A 38 11.526 -18.799 7.044 1.00 1.00 C ATOM 625 O GLU A 38 10.597 -19.069 7.810 1.00 1.00 O ATOM 626 CB GLU A 38 11.182 -18.954 4.553 1.00 1.00 C ATOM 627 CG GLU A 38 10.013 -19.934 4.738 1.00 1.00 C ATOM 628 CD GLU A 38 9.895 -20.848 3.519 1.00 1.00 C ATOM 629 OE1 GLU A 38 10.507 -20.544 2.510 1.00 1.00 O ATOM 630 OE2 GLU A 38 9.190 -21.840 3.615 1.00 1.00 O ATOM 0 H GLU A 38 13.202 -17.212 6.053 1.00 1.00 H new ATOM 0 HA GLU A 38 10.326 -17.480 5.863 1.00 1.00 H new ATOM 0 HB2 GLU A 38 11.042 -18.378 3.638 1.00 1.00 H new ATOM 0 HB3 GLU A 38 12.115 -19.506 4.442 1.00 1.00 H new ATOM 0 HG2 GLU A 38 10.168 -20.531 5.636 1.00 1.00 H new ATOM 0 HG3 GLU A 38 9.084 -19.381 4.879 1.00 1.00 H new ATOM 637 N ILE A 39 12.788 -19.155 7.287 1.00 1.00 N ATOM 638 CA ILE A 39 13.139 -19.902 8.496 1.00 1.00 C ATOM 639 C ILE A 39 12.991 -19.020 9.735 1.00 1.00 C ATOM 640 O ILE A 39 12.786 -19.517 10.845 1.00 1.00 O ATOM 641 CB ILE A 39 14.588 -20.410 8.398 1.00 1.00 C ATOM 642 CG1 ILE A 39 15.544 -19.233 8.188 1.00 1.00 C ATOM 643 CG2 ILE A 39 14.725 -21.380 7.221 1.00 1.00 C ATOM 644 CD1 ILE A 39 16.987 -19.736 8.248 1.00 1.00 C ATOM 0 H ILE A 39 13.574 -18.942 6.673 1.00 1.00 H new ATOM 0 HA ILE A 39 12.461 -20.751 8.584 1.00 1.00 H new ATOM 0 HB ILE A 39 14.839 -20.923 9.326 1.00 1.00 H new ATOM 0 HG12 ILE A 39 15.351 -18.761 7.225 1.00 1.00 H new ATOM 0 HG13 ILE A 39 15.379 -18.475 8.953 1.00 1.00 H new ATOM 0 HG21 ILE A 39 15.754 -21.734 7.159 1.00 1.00 H new ATOM 0 HG22 ILE A 39 14.057 -22.229 7.369 1.00 1.00 H new ATOM 0 HG23 ILE A 39 14.461 -20.868 6.295 1.00 1.00 H new ATOM 0 HD11 ILE A 39 17.670 -18.900 8.099 1.00 1.00 H new ATOM 0 HD12 ILE A 39 17.174 -20.188 9.222 1.00 1.00 H new ATOM 0 HD13 ILE A 39 17.146 -20.479 7.466 1.00 1.00 H new ATOM 656 N GLY A 40 13.107 -17.706 9.538 1.00 1.00 N ATOM 657 CA GLY A 40 12.999 -16.751 10.645 1.00 1.00 C ATOM 658 C GLY A 40 11.545 -16.349 10.904 1.00 1.00 C ATOM 659 O GLY A 40 10.640 -16.746 10.167 1.00 1.00 O ATOM 0 H GLY A 40 13.275 -17.279 8.627 1.00 1.00 H new ATOM 0 HA2 GLY A 40 13.422 -17.191 11.548 1.00 1.00 H new ATOM 0 HA3 GLY A 40 13.588 -15.862 10.418 1.00 1.00 H new ATOM 663 N GLY A 41 11.333 -15.558 11.959 1.00 1.00 N ATOM 664 CA GLY A 41 9.984 -15.109 12.311 1.00 1.00 C ATOM 665 C GLY A 41 10.018 -13.917 13.274 1.00 1.00 C ATOM 666 O GLY A 41 9.706 -14.057 14.458 1.00 1.00 O ATOM 0 H GLY A 41 12.069 -15.218 12.578 1.00 1.00 H new ATOM 0 HA2 GLY A 41 9.445 -14.830 11.405 1.00 1.00 H new ATOM 0 HA3 GLY A 41 9.434 -15.931 12.769 1.00 1.00 H new ATOM 670 N ARG A 42 10.399 -12.747 12.757 1.00 1.00 N ATOM 671 CA ARG A 42 10.476 -11.536 13.581 1.00 1.00 C ATOM 672 C ARG A 42 9.089 -10.939 13.840 1.00 1.00 C ATOM 673 O ARG A 42 8.186 -11.039 13.006 1.00 1.00 O ATOM 674 CB ARG A 42 11.366 -10.499 12.891 1.00 1.00 C ATOM 675 CG ARG A 42 12.798 -11.032 12.823 1.00 1.00 C ATOM 676 CD ARG A 42 13.685 -10.051 12.048 1.00 1.00 C ATOM 677 NE ARG A 42 13.773 -8.776 12.750 1.00 1.00 N ATOM 678 CZ ARG A 42 14.628 -8.598 13.750 1.00 1.00 C ATOM 679 NH1 ARG A 42 15.399 -9.577 14.127 1.00 1.00 N ATOM 680 NH2 ARG A 42 14.699 -7.446 14.351 1.00 1.00 N ATOM 0 H ARG A 42 10.657 -12.611 11.780 1.00 1.00 H new ATOM 0 HA ARG A 42 10.906 -11.812 14.544 1.00 1.00 H new ATOM 0 HB2 ARG A 42 10.994 -10.293 11.887 1.00 1.00 H new ATOM 0 HB3 ARG A 42 11.341 -9.558 13.440 1.00 1.00 H new ATOM 0 HG2 ARG A 42 13.191 -11.173 13.830 1.00 1.00 H new ATOM 0 HG3 ARG A 42 12.809 -12.008 12.337 1.00 1.00 H new ATOM 0 HD2 ARG A 42 14.682 -10.474 11.924 1.00 1.00 H new ATOM 0 HD3 ARG A 42 13.278 -9.895 11.049 1.00 1.00 H new ATOM 0 HE ARG A 42 13.166 -8.006 12.467 1.00 1.00 H new ATOM 0 HH11 ARG A 42 15.346 -10.479 13.654 1.00 1.00 H new ATOM 0 HH12 ARG A 42 16.056 -9.442 14.895 1.00 1.00 H new ATOM 0 HH21 ARG A 42 14.097 -6.678 14.054 1.00 1.00 H new ATOM 0 HH22 ARG A 42 15.356 -7.311 15.119 1.00 1.00 H new ATOM 694 N ASN A 43 8.934 -10.315 15.009 1.00 1.00 N ATOM 695 CA ASN A 43 7.663 -9.701 15.388 1.00 1.00 C ATOM 696 C ASN A 43 7.410 -8.429 14.582 1.00 1.00 C ATOM 697 O ASN A 43 8.328 -7.644 14.341 1.00 1.00 O ATOM 698 CB ASN A 43 7.675 -9.377 16.884 1.00 1.00 C ATOM 699 CG ASN A 43 8.775 -8.369 17.195 1.00 1.00 C ATOM 700 OD1 ASN A 43 8.671 -7.199 16.825 1.00 1.00 O ATOM 701 ND2 ASN A 43 9.831 -8.755 17.857 1.00 1.00 N ATOM 0 H ASN A 43 9.672 -10.222 15.707 1.00 1.00 H new ATOM 0 HA ASN A 43 6.860 -10.406 15.173 1.00 1.00 H new ATOM 0 HB2 ASN A 43 6.707 -8.975 17.184 1.00 1.00 H new ATOM 0 HB3 ASN A 43 7.834 -10.289 17.460 1.00 1.00 H new ATOM 0 HD21 ASN A 43 10.572 -8.087 18.069 1.00 1.00 H new ATOM 0 HD22 ASN A 43 9.915 -9.725 18.163 1.00 1.00 H new ATOM 708 N GLY A 44 6.157 -8.234 14.165 1.00 1.00 N ATOM 709 CA GLY A 44 5.781 -7.054 13.380 1.00 1.00 C ATOM 710 C GLY A 44 4.658 -6.281 14.067 1.00 1.00 C ATOM 711 O GLY A 44 4.406 -6.463 15.260 1.00 1.00 O ATOM 0 H GLY A 44 5.387 -8.875 14.357 1.00 1.00 H new ATOM 0 HA2 GLY A 44 6.648 -6.406 13.251 1.00 1.00 H new ATOM 0 HA3 GLY A 44 5.461 -7.361 12.384 1.00 1.00 H new ATOM 715 N PRO A 45 3.991 -5.426 13.343 1.00 1.00 N ATOM 716 CA PRO A 45 2.869 -4.596 13.886 1.00 1.00 C ATOM 717 C PRO A 45 1.738 -5.439 14.474 1.00 1.00 C ATOM 718 O PRO A 45 1.434 -6.524 13.977 1.00 1.00 O ATOM 719 CB PRO A 45 2.392 -3.804 12.652 1.00 1.00 C ATOM 720 CG PRO A 45 3.577 -3.779 11.747 1.00 1.00 C ATOM 721 CD PRO A 45 4.226 -5.142 11.918 1.00 1.00 C ATOM 0 HA PRO A 45 3.189 -3.965 14.715 1.00 1.00 H new ATOM 0 HB2 PRO A 45 1.538 -4.286 12.176 1.00 1.00 H new ATOM 0 HB3 PRO A 45 2.078 -2.796 12.924 1.00 1.00 H new ATOM 0 HG2 PRO A 45 3.280 -3.609 10.712 1.00 1.00 H new ATOM 0 HG3 PRO A 45 4.264 -2.977 12.017 1.00 1.00 H new ATOM 0 HD2 PRO A 45 3.770 -5.893 11.273 1.00 1.00 H new ATOM 0 HD3 PRO A 45 5.289 -5.119 11.678 1.00 1.00 H new ATOM 729 N GLU A 46 1.122 -4.926 15.541 1.00 1.00 N ATOM 730 CA GLU A 46 0.029 -5.636 16.202 1.00 1.00 C ATOM 731 C GLU A 46 -0.794 -4.683 17.080 1.00 1.00 C ATOM 732 O GLU A 46 -0.610 -4.626 18.298 1.00 1.00 O ATOM 733 CB GLU A 46 0.597 -6.774 17.064 1.00 1.00 C ATOM 734 CG GLU A 46 -0.548 -7.636 17.611 1.00 1.00 C ATOM 735 CD GLU A 46 0.013 -8.862 18.328 1.00 1.00 C ATOM 736 OE1 GLU A 46 0.304 -8.753 19.508 1.00 1.00 O ATOM 737 OE2 GLU A 46 0.144 -9.892 17.687 1.00 1.00 O ATOM 0 H GLU A 46 1.360 -4.028 15.962 1.00 1.00 H new ATOM 0 HA GLU A 46 -0.626 -6.048 15.435 1.00 1.00 H new ATOM 0 HB2 GLU A 46 1.275 -7.388 16.471 1.00 1.00 H new ATOM 0 HB3 GLU A 46 1.179 -6.362 17.888 1.00 1.00 H new ATOM 0 HG2 GLU A 46 -1.158 -7.050 18.299 1.00 1.00 H new ATOM 0 HG3 GLU A 46 -1.200 -7.949 16.795 1.00 1.00 H new ATOM 744 N PRO A 47 -1.695 -3.935 16.489 1.00 1.00 N ATOM 745 CA PRO A 47 -2.562 -2.972 17.241 1.00 1.00 C ATOM 746 C PRO A 47 -3.418 -3.676 18.299 1.00 1.00 C ATOM 747 O PRO A 47 -3.843 -4.817 18.107 1.00 1.00 O ATOM 748 CB PRO A 47 -3.440 -2.330 16.144 1.00 1.00 C ATOM 749 CG PRO A 47 -2.708 -2.579 14.864 1.00 1.00 C ATOM 750 CD PRO A 47 -1.990 -3.913 15.049 1.00 1.00 C ATOM 0 HA PRO A 47 -1.977 -2.240 17.797 1.00 1.00 H new ATOM 0 HB2 PRO A 47 -4.434 -2.777 16.123 1.00 1.00 H new ATOM 0 HB3 PRO A 47 -3.574 -1.263 16.320 1.00 1.00 H new ATOM 0 HG2 PRO A 47 -3.397 -2.620 14.021 1.00 1.00 H new ATOM 0 HG3 PRO A 47 -1.998 -1.778 14.657 1.00 1.00 H new ATOM 0 HD2 PRO A 47 -2.618 -4.753 14.753 1.00 1.00 H new ATOM 0 HD3 PRO A 47 -1.081 -3.968 14.450 1.00 1.00 H new ATOM 758 N VAL A 48 -3.652 -2.987 19.417 1.00 1.00 N ATOM 759 CA VAL A 48 -4.439 -3.549 20.521 1.00 1.00 C ATOM 760 C VAL A 48 -5.831 -3.991 20.052 1.00 1.00 C ATOM 761 O VAL A 48 -6.333 -3.519 19.031 1.00 1.00 O ATOM 762 CB VAL A 48 -4.566 -2.509 21.642 1.00 1.00 C ATOM 763 CG1 VAL A 48 -5.488 -3.041 22.739 1.00 1.00 C ATOM 764 CG2 VAL A 48 -3.185 -2.230 22.240 1.00 1.00 C ATOM 0 H VAL A 48 -3.310 -2.041 19.584 1.00 1.00 H new ATOM 0 HA VAL A 48 -3.920 -4.432 20.895 1.00 1.00 H new ATOM 0 HB VAL A 48 -4.982 -1.590 21.230 1.00 1.00 H new ATOM 0 HG11 VAL A 48 -5.575 -2.299 23.533 1.00 1.00 H new ATOM 0 HG12 VAL A 48 -6.474 -3.241 22.320 1.00 1.00 H new ATOM 0 HG13 VAL A 48 -5.073 -3.962 23.148 1.00 1.00 H new ATOM 0 HG21 VAL A 48 -3.276 -1.491 23.036 1.00 1.00 H new ATOM 0 HG22 VAL A 48 -2.771 -3.153 22.647 1.00 1.00 H new ATOM 0 HG23 VAL A 48 -2.523 -1.847 21.463 1.00 1.00 H new ATOM 774 N ARG A 49 -6.439 -4.916 20.802 1.00 1.00 N ATOM 775 CA ARG A 49 -7.763 -5.429 20.445 1.00 1.00 C ATOM 776 C ARG A 49 -8.853 -4.418 20.794 1.00 1.00 C ATOM 777 O ARG A 49 -9.702 -4.672 21.651 1.00 1.00 O ATOM 778 CB ARG A 49 -8.032 -6.755 21.173 1.00 1.00 C ATOM 779 CG ARG A 49 -7.072 -7.825 20.640 1.00 1.00 C ATOM 780 CD ARG A 49 -7.299 -9.150 21.372 1.00 1.00 C ATOM 781 NE ARG A 49 -6.379 -10.168 20.863 1.00 1.00 N ATOM 782 CZ ARG A 49 -5.154 -10.326 21.368 1.00 1.00 C ATOM 783 NH1 ARG A 49 -4.739 -9.573 22.350 1.00 1.00 N ATOM 784 NH2 ARG A 49 -4.359 -11.237 20.882 1.00 1.00 N ATOM 0 H ARG A 49 -6.040 -5.320 21.650 1.00 1.00 H new ATOM 0 HA ARG A 49 -7.781 -5.599 19.368 1.00 1.00 H new ATOM 0 HB2 ARG A 49 -7.895 -6.629 22.247 1.00 1.00 H new ATOM 0 HB3 ARG A 49 -9.065 -7.066 21.018 1.00 1.00 H new ATOM 0 HG2 ARG A 49 -7.226 -7.961 19.570 1.00 1.00 H new ATOM 0 HG3 ARG A 49 -6.041 -7.499 20.775 1.00 1.00 H new ATOM 0 HD2 ARG A 49 -7.147 -9.014 22.443 1.00 1.00 H new ATOM 0 HD3 ARG A 49 -8.329 -9.478 21.235 1.00 1.00 H new ATOM 0 HE ARG A 49 -6.683 -10.774 20.101 1.00 1.00 H new ATOM 0 HH11 ARG A 49 -5.353 -8.857 22.738 1.00 1.00 H new ATOM 0 HH12 ARG A 49 -3.801 -9.701 22.730 1.00 1.00 H new ATOM 0 HH21 ARG A 49 -4.673 -11.831 20.114 1.00 1.00 H new ATOM 0 HH22 ARG A 49 -3.423 -11.356 21.269 1.00 1.00 H new ATOM 798 N PHE A 50 -8.829 -3.274 20.109 1.00 1.00 N ATOM 799 CA PHE A 50 -9.823 -2.221 20.332 1.00 1.00 C ATOM 800 C PHE A 50 -10.799 -2.169 19.155 1.00 1.00 C ATOM 801 O PHE A 50 -10.406 -2.357 18.001 1.00 1.00 O ATOM 802 CB PHE A 50 -9.129 -0.862 20.494 1.00 1.00 C ATOM 803 CG PHE A 50 -8.530 -0.429 19.175 1.00 1.00 C ATOM 804 CD1 PHE A 50 -9.314 0.270 18.248 1.00 1.00 C ATOM 805 CD2 PHE A 50 -7.195 -0.722 18.879 1.00 1.00 C ATOM 806 CE1 PHE A 50 -8.761 0.672 17.026 1.00 1.00 C ATOM 807 CE2 PHE A 50 -6.641 -0.320 17.658 1.00 1.00 C ATOM 808 CZ PHE A 50 -7.425 0.377 16.730 1.00 1.00 C ATOM 0 H PHE A 50 -8.134 -3.052 19.396 1.00 1.00 H new ATOM 0 HA PHE A 50 -10.374 -2.446 21.245 1.00 1.00 H new ATOM 0 HB2 PHE A 50 -9.846 -0.117 20.840 1.00 1.00 H new ATOM 0 HB3 PHE A 50 -8.349 -0.930 21.252 1.00 1.00 H new ATOM 0 HD1 PHE A 50 -10.345 0.499 18.476 1.00 1.00 H new ATOM 0 HD2 PHE A 50 -6.590 -1.260 19.594 1.00 1.00 H new ATOM 0 HE1 PHE A 50 -9.366 1.210 16.311 1.00 1.00 H new ATOM 0 HE2 PHE A 50 -5.610 -0.547 17.432 1.00 1.00 H new ATOM 0 HZ PHE A 50 -6.999 0.687 15.787 1.00 1.00 H new ATOM 818 N GLY A 51 -12.070 -1.924 19.457 1.00 1.00 N ATOM 819 CA GLY A 51 -13.097 -1.854 18.419 1.00 1.00 C ATOM 820 C GLY A 51 -14.315 -1.077 18.911 1.00 1.00 C ATOM 821 O GLY A 51 -14.517 -0.919 20.115 1.00 1.00 O ATOM 0 H GLY A 51 -12.414 -1.771 20.405 1.00 1.00 H new ATOM 0 HA2 GLY A 51 -12.689 -1.374 17.530 1.00 1.00 H new ATOM 0 HA3 GLY A 51 -13.396 -2.861 18.129 1.00 1.00 H new ATOM 825 N ASP A 52 -15.122 -0.589 17.967 1.00 1.00 N ATOM 826 CA ASP A 52 -16.317 0.183 18.313 1.00 1.00 C ATOM 827 C ASP A 52 -17.433 -0.035 17.290 1.00 1.00 C ATOM 828 O ASP A 52 -17.397 0.513 16.189 1.00 1.00 O ATOM 829 CB ASP A 52 -15.959 1.668 18.382 1.00 1.00 C ATOM 830 CG ASP A 52 -15.432 2.147 17.033 1.00 1.00 C ATOM 831 OD1 ASP A 52 -15.202 1.313 16.174 1.00 1.00 O ATOM 832 OD2 ASP A 52 -15.254 3.347 16.882 1.00 1.00 O ATOM 0 H ASP A 52 -14.972 -0.713 16.966 1.00 1.00 H new ATOM 0 HA ASP A 52 -16.679 -0.157 19.283 1.00 1.00 H new ATOM 0 HB2 ASP A 52 -16.837 2.248 18.664 1.00 1.00 H new ATOM 0 HB3 ASP A 52 -15.207 1.833 19.154 1.00 1.00 H new ATOM 837 N TRP A 53 -18.430 -0.839 17.662 1.00 1.00 N ATOM 838 CA TRP A 53 -19.560 -1.126 16.767 1.00 1.00 C ATOM 839 C TRP A 53 -20.822 -0.425 17.264 1.00 1.00 C ATOM 840 O TRP A 53 -21.123 -0.439 18.456 1.00 1.00 O ATOM 841 CB TRP A 53 -19.798 -2.647 16.716 1.00 1.00 C ATOM 842 CG TRP A 53 -18.955 -3.265 15.643 1.00 1.00 C ATOM 843 CD1 TRP A 53 -19.300 -3.358 14.336 1.00 1.00 C ATOM 844 CD2 TRP A 53 -17.639 -3.869 15.764 1.00 1.00 C ATOM 845 NE1 TRP A 53 -18.277 -3.989 13.651 1.00 1.00 N ATOM 846 CE2 TRP A 53 -17.231 -4.322 14.488 1.00 1.00 C ATOM 847 CE3 TRP A 53 -16.768 -4.066 16.850 1.00 1.00 C ATOM 848 CZ2 TRP A 53 -16.003 -4.950 14.295 1.00 1.00 C ATOM 849 CZ3 TRP A 53 -15.529 -4.699 16.660 1.00 1.00 C ATOM 850 CH2 TRP A 53 -15.148 -5.141 15.385 1.00 1.00 C ATOM 0 H TRP A 53 -18.482 -1.302 18.570 1.00 1.00 H new ATOM 0 HA TRP A 53 -19.325 -0.757 15.769 1.00 1.00 H new ATOM 0 HB2 TRP A 53 -19.557 -3.093 17.681 1.00 1.00 H new ATOM 0 HB3 TRP A 53 -20.851 -2.852 16.525 1.00 1.00 H new ATOM 0 HD1 TRP A 53 -20.221 -2.999 13.901 1.00 1.00 H new ATOM 0 HE1 TRP A 53 -18.294 -4.184 12.650 1.00 1.00 H new ATOM 0 HE3 TRP A 53 -17.053 -3.729 17.835 1.00 1.00 H new ATOM 0 HZ2 TRP A 53 -15.713 -5.287 13.311 1.00 1.00 H new ATOM 0 HZ3 TRP A 53 -14.866 -4.846 17.500 1.00 1.00 H new ATOM 0 HH2 TRP A 53 -14.195 -5.629 15.245 1.00 1.00 H new ATOM 861 N GLU A 54 -21.565 0.177 16.334 1.00 1.00 N ATOM 862 CA GLU A 54 -22.807 0.875 16.689 1.00 1.00 C ATOM 863 C GLU A 54 -23.942 0.513 15.727 1.00 1.00 C ATOM 864 O GLU A 54 -24.555 1.387 15.114 1.00 1.00 O ATOM 865 CB GLU A 54 -22.574 2.386 16.669 1.00 1.00 C ATOM 866 CG GLU A 54 -21.630 2.772 17.812 1.00 1.00 C ATOM 867 CD GLU A 54 -21.357 4.271 17.776 1.00 1.00 C ATOM 868 OE1 GLU A 54 -21.895 4.930 16.904 1.00 1.00 O ATOM 869 OE2 GLU A 54 -20.614 4.739 18.625 1.00 1.00 O ATOM 0 H GLU A 54 -21.335 0.197 15.341 1.00 1.00 H new ATOM 0 HA GLU A 54 -23.099 0.561 17.691 1.00 1.00 H new ATOM 0 HB2 GLU A 54 -22.146 2.686 15.713 1.00 1.00 H new ATOM 0 HB3 GLU A 54 -23.523 2.913 16.773 1.00 1.00 H new ATOM 0 HG2 GLU A 54 -22.073 2.497 18.769 1.00 1.00 H new ATOM 0 HG3 GLU A 54 -20.694 2.221 17.724 1.00 1.00 H new ATOM 876 N LYS A 55 -24.213 -0.786 15.609 1.00 1.00 N ATOM 877 CA LYS A 55 -25.272 -1.282 14.726 1.00 1.00 C ATOM 878 C LYS A 55 -26.662 -0.796 15.163 1.00 1.00 C ATOM 879 O LYS A 55 -27.467 -0.383 14.328 1.00 1.00 O ATOM 880 CB LYS A 55 -25.229 -2.816 14.705 1.00 1.00 C ATOM 881 CG LYS A 55 -26.256 -3.362 13.703 1.00 1.00 C ATOM 882 CD LYS A 55 -26.145 -4.891 13.642 1.00 1.00 C ATOM 883 CE LYS A 55 -27.155 -5.450 12.633 1.00 1.00 C ATOM 884 NZ LYS A 55 -27.021 -6.934 12.573 1.00 1.00 N ATOM 0 H LYS A 55 -23.713 -1.517 16.115 1.00 1.00 H new ATOM 0 HA LYS A 55 -25.095 -0.887 13.725 1.00 1.00 H new ATOM 0 HB2 LYS A 55 -24.229 -3.155 14.433 1.00 1.00 H new ATOM 0 HB3 LYS A 55 -25.439 -3.207 15.701 1.00 1.00 H new ATOM 0 HG2 LYS A 55 -27.263 -3.071 14.002 1.00 1.00 H new ATOM 0 HG3 LYS A 55 -26.081 -2.934 12.716 1.00 1.00 H new ATOM 0 HD2 LYS A 55 -25.134 -5.179 13.355 1.00 1.00 H new ATOM 0 HD3 LYS A 55 -26.330 -5.317 14.628 1.00 1.00 H new ATOM 0 HE2 LYS A 55 -28.169 -5.176 12.926 1.00 1.00 H new ATOM 0 HE3 LYS A 55 -26.980 -5.017 11.648 1.00 1.00 H new ATOM 0 HZ1 LYS A 55 -27.705 -7.317 11.889 1.00 1.00 H new ATOM 0 HZ2 LYS A 55 -26.056 -7.184 12.275 1.00 1.00 H new ATOM 0 HZ3 LYS A 55 -27.208 -7.338 13.513 1.00 1.00 H new ATOM 898 N LYS A 56 -26.941 -0.850 16.465 1.00 1.00 N ATOM 899 CA LYS A 56 -28.245 -0.414 16.975 1.00 1.00 C ATOM 900 C LYS A 56 -28.515 1.045 16.602 1.00 1.00 C ATOM 901 O LYS A 56 -27.624 1.892 16.681 1.00 1.00 O ATOM 902 CB LYS A 56 -28.301 -0.583 18.501 1.00 1.00 C ATOM 903 CG LYS A 56 -27.263 0.326 19.168 1.00 1.00 C ATOM 904 CD LYS A 56 -27.260 0.081 20.682 1.00 1.00 C ATOM 905 CE LYS A 56 -26.322 1.082 21.365 1.00 1.00 C ATOM 906 NZ LYS A 56 -24.918 0.814 20.944 1.00 1.00 N ATOM 0 H LYS A 56 -26.294 -1.186 17.178 1.00 1.00 H new ATOM 0 HA LYS A 56 -29.015 -1.036 16.518 1.00 1.00 H new ATOM 0 HB2 LYS A 56 -29.299 -0.338 18.866 1.00 1.00 H new ATOM 0 HB3 LYS A 56 -28.110 -1.623 18.767 1.00 1.00 H new ATOM 0 HG2 LYS A 56 -26.274 0.128 18.756 1.00 1.00 H new ATOM 0 HG3 LYS A 56 -27.492 1.371 18.959 1.00 1.00 H new ATOM 0 HD2 LYS A 56 -28.270 0.185 21.079 1.00 1.00 H new ATOM 0 HD3 LYS A 56 -26.937 -0.938 20.895 1.00 1.00 H new ATOM 0 HE2 LYS A 56 -26.604 2.101 21.100 1.00 1.00 H new ATOM 0 HE3 LYS A 56 -26.410 0.999 22.448 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 -24.265 1.335 21.563 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 -24.723 -0.205 21.015 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 -24.785 1.124 19.960 1.00 1.00 H new ATOM 920 N GLY A 57 -29.750 1.329 16.190 1.00 1.00 N ATOM 921 CA GLY A 57 -30.125 2.686 15.801 1.00 1.00 C ATOM 922 C GLY A 57 -31.410 2.683 14.977 1.00 1.00 C ATOM 923 O GLY A 57 -32.179 1.723 15.014 1.00 1.00 O ATOM 0 H GLY A 57 -30.502 0.643 16.118 1.00 1.00 H new ATOM 0 HA2 GLY A 57 -30.261 3.299 16.692 1.00 1.00 H new ATOM 0 HA3 GLY A 57 -29.319 3.138 15.223 1.00 1.00 H new ATOM 927 N ILE A 58 -31.638 3.762 14.237 1.00 1.00 N ATOM 928 CA ILE A 58 -32.833 3.875 13.404 1.00 1.00 C ATOM 929 C ILE A 58 -32.822 2.821 12.293 1.00 1.00 C ATOM 930 O ILE A 58 -33.844 2.205 11.995 1.00 1.00 O ATOM 931 CB ILE A 58 -32.906 5.280 12.793 1.00 1.00 C ATOM 932 CG1 ILE A 58 -33.156 6.303 13.904 1.00 1.00 C ATOM 933 CG2 ILE A 58 -34.053 5.349 11.778 1.00 1.00 C ATOM 934 CD1 ILE A 58 -32.947 7.714 13.353 1.00 1.00 C ATOM 0 H ILE A 58 -31.015 4.569 14.196 1.00 1.00 H new ATOM 0 HA ILE A 58 -33.710 3.705 14.029 1.00 1.00 H new ATOM 0 HB ILE A 58 -31.965 5.501 12.290 1.00 1.00 H new ATOM 0 HG12 ILE A 58 -34.170 6.198 14.289 1.00 1.00 H new ATOM 0 HG13 ILE A 58 -32.478 6.123 14.738 1.00 1.00 H new ATOM 0 HG21 ILE A 58 -34.099 6.350 11.348 1.00 1.00 H new ATOM 0 HG22 ILE A 58 -33.881 4.621 10.985 1.00 1.00 H new ATOM 0 HG23 ILE A 58 -34.995 5.125 12.278 1.00 1.00 H new ATOM 0 HD11 ILE A 58 -33.125 8.443 14.143 1.00 1.00 H new ATOM 0 HD12 ILE A 58 -31.924 7.815 12.990 1.00 1.00 H new ATOM 0 HD13 ILE A 58 -33.643 7.891 12.533 1.00 1.00 H new ATOM 946 N ALA A 59 -31.658 2.638 11.673 1.00 1.00 N ATOM 947 CA ALA A 59 -31.507 1.682 10.586 1.00 1.00 C ATOM 948 C ALA A 59 -31.575 0.244 11.100 1.00 1.00 C ATOM 949 O ALA A 59 -31.655 -0.700 10.312 1.00 1.00 O ATOM 950 CB ALA A 59 -30.164 1.921 9.881 1.00 1.00 C ATOM 0 H ALA A 59 -30.804 3.143 11.909 1.00 1.00 H new ATOM 0 HA ALA A 59 -32.327 1.827 9.882 1.00 1.00 H new ATOM 0 HB1 ALA A 59 -30.048 1.206 9.066 1.00 1.00 H new ATOM 0 HB2 ALA A 59 -30.138 2.935 9.481 1.00 1.00 H new ATOM 0 HB3 ALA A 59 -29.350 1.792 10.595 1.00 1.00 H new ATOM 956 N ILE A 60 -31.540 0.079 12.421 1.00 1.00 N ATOM 957 CA ILE A 60 -31.595 -1.254 13.026 1.00 1.00 C ATOM 958 C ILE A 60 -32.583 -2.159 12.282 1.00 1.00 C ATOM 959 O ILE A 60 -33.798 -1.960 12.336 1.00 1.00 O ATOM 960 CB ILE A 60 -31.993 -1.129 14.502 1.00 1.00 C ATOM 961 CG1 ILE A 60 -31.920 -2.500 15.176 1.00 1.00 C ATOM 962 CG2 ILE A 60 -33.421 -0.573 14.625 1.00 1.00 C ATOM 963 CD1 ILE A 60 -32.019 -2.326 16.693 1.00 1.00 C ATOM 0 H ILE A 60 -31.474 0.845 13.091 1.00 1.00 H new ATOM 0 HA ILE A 60 -30.608 -1.711 12.953 1.00 1.00 H new ATOM 0 HB ILE A 60 -31.302 -0.444 14.993 1.00 1.00 H new ATOM 0 HG12 ILE A 60 -32.729 -3.137 14.818 1.00 1.00 H new ATOM 0 HG13 ILE A 60 -30.985 -2.996 14.916 1.00 1.00 H new ATOM 0 HG21 ILE A 60 -33.690 -0.490 15.678 1.00 1.00 H new ATOM 0 HG22 ILE A 60 -33.470 0.411 14.159 1.00 1.00 H new ATOM 0 HG23 ILE A 60 -34.118 -1.246 14.125 1.00 1.00 H new ATOM 0 HD11 ILE A 60 -31.967 -3.302 17.175 1.00 1.00 H new ATOM 0 HD12 ILE A 60 -31.195 -1.704 17.042 1.00 1.00 H new ATOM 0 HD13 ILE A 60 -32.966 -1.847 16.943 1.00 1.00 H new ATOM 975 N ASP A 61 -32.041 -3.153 11.571 1.00 1.00 N ATOM 976 CA ASP A 61 -32.869 -4.083 10.804 1.00 1.00 C ATOM 977 C ASP A 61 -32.146 -5.423 10.613 1.00 1.00 C ATOM 978 O ASP A 61 -30.989 -5.573 11.009 1.00 1.00 O ATOM 979 CB ASP A 61 -33.203 -3.462 9.442 1.00 1.00 C ATOM 980 CG ASP A 61 -32.004 -3.557 8.500 1.00 1.00 C ATOM 981 OD1 ASP A 61 -31.636 -4.668 8.152 1.00 1.00 O ATOM 982 OD2 ASP A 61 -31.471 -2.520 8.144 1.00 1.00 O ATOM 0 H ASP A 61 -31.039 -3.332 11.512 1.00 1.00 H new ATOM 0 HA ASP A 61 -33.791 -4.272 11.353 1.00 1.00 H new ATOM 0 HB2 ASP A 61 -34.059 -3.974 9.003 1.00 1.00 H new ATOM 0 HB3 ASP A 61 -33.488 -2.418 9.572 1.00 1.00 H new ATOM 987 N PHE A 62 -32.834 -6.390 9.996 1.00 1.00 N ATOM 988 CA PHE A 62 -32.241 -7.706 9.759 1.00 1.00 C ATOM 989 C PHE A 62 -33.157 -8.574 8.897 1.00 1.00 C ATOM 990 O PHE A 62 -32.655 -9.192 7.970 1.00 1.00 O ATOM 991 CB PHE A 62 -31.998 -8.401 11.102 1.00 1.00 C ATOM 992 CG PHE A 62 -31.326 -9.740 10.887 1.00 1.00 C ATOM 993 CD1 PHE A 62 -29.971 -9.791 10.537 1.00 1.00 C ATOM 994 CD2 PHE A 62 -32.051 -10.929 11.050 1.00 1.00 C ATOM 995 CE1 PHE A 62 -29.341 -11.026 10.349 1.00 1.00 C ATOM 996 CE2 PHE A 62 -31.419 -12.165 10.863 1.00 1.00 C ATOM 997 CZ PHE A 62 -30.064 -12.215 10.512 1.00 1.00 C ATOM 0 H PHE A 62 -33.790 -6.286 9.656 1.00 1.00 H new ATOM 0 HA PHE A 62 -31.298 -7.570 9.230 1.00 1.00 H new ATOM 0 HB2 PHE A 62 -31.375 -7.772 11.737 1.00 1.00 H new ATOM 0 HB3 PHE A 62 -32.945 -8.541 11.623 1.00 1.00 H new ATOM 0 HD1 PHE A 62 -29.412 -8.876 10.412 1.00 1.00 H new ATOM 0 HD2 PHE A 62 -33.096 -10.892 11.320 1.00 1.00 H new ATOM 0 HE1 PHE A 62 -28.296 -11.063 10.078 1.00 1.00 H new ATOM 0 HE2 PHE A 62 -31.977 -13.081 10.990 1.00 1.00 H new ATOM 0 HZ PHE A 62 -29.577 -13.168 10.367 1.00 1.00 H new TER 1007 PHE A 62