USER MOD reduce.3.24.130724 H: found=0, std=0, add=506, rem=0, adj=7 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+ -179:sc= -0.475 (180deg=-0.48) USER MOD Single : A 4 MET CE :methyl 140:sc= -0.176 (180deg=-1.18) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.00908 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -162:sc= -0.061 (180deg=-0.484) USER MOD Single : A 37 LYS NZ :NH3+ 170:sc=-0.00151 (180deg=-0.166) USER MOD Single : A 43 ASN : amide:sc= -0.0513 K(o=-0.051,f=-1.9!) USER MOD Single : A 55 LYS NZ :NH3+ 162:sc= -0.0191 (180deg=-0.437) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -18.684 10.581 -15.969 1.00 1.00 N ATOM 2 CA MET A 1 -19.276 11.805 -16.581 1.00 1.00 C ATOM 3 C MET A 1 -19.712 11.510 -18.014 1.00 1.00 C ATOM 4 O MET A 1 -19.900 12.427 -18.813 1.00 1.00 O ATOM 5 CB MET A 1 -18.242 12.936 -16.570 1.00 1.00 C ATOM 6 CG MET A 1 -18.008 13.400 -15.132 1.00 1.00 C ATOM 7 SD MET A 1 -16.775 14.725 -15.118 1.00 1.00 S ATOM 8 CE MET A 1 -16.530 14.788 -13.327 1.00 1.00 C ATOM 0 H1 MET A 1 -18.405 10.784 -14.988 1.00 1.00 H new ATOM 0 H2 MET A 1 -19.386 9.814 -15.978 1.00 1.00 H new ATOM 0 H3 MET A 1 -17.847 10.290 -16.514 1.00 1.00 H new ATOM 0 HA MET A 1 -20.148 12.111 -16.003 1.00 1.00 H new ATOM 0 HB2 MET A 1 -17.306 12.591 -17.009 1.00 1.00 H new ATOM 0 HB3 MET A 1 -18.592 13.769 -17.180 1.00 1.00 H new ATOM 0 HG2 MET A 1 -18.942 13.754 -14.696 1.00 1.00 H new ATOM 0 HG3 MET A 1 -17.667 12.565 -14.520 1.00 1.00 H new ATOM 0 HE1 MET A 1 -15.793 15.554 -13.087 1.00 1.00 H new ATOM 0 HE2 MET A 1 -17.475 15.028 -12.839 1.00 1.00 H new ATOM 0 HE3 MET A 1 -16.175 13.820 -12.974 1.00 1.00 H new ATOM 20 N ARG A 2 -19.885 10.231 -18.337 1.00 1.00 N ATOM 21 CA ARG A 2 -20.312 9.850 -19.678 1.00 1.00 C ATOM 22 C ARG A 2 -21.694 10.427 -19.960 1.00 1.00 C ATOM 23 O ARG A 2 -21.958 10.946 -21.045 1.00 1.00 O ATOM 24 CB ARG A 2 -20.349 8.324 -19.804 1.00 1.00 C ATOM 25 CG ARG A 2 -20.702 7.931 -21.242 1.00 1.00 C ATOM 26 CD ARG A 2 -20.736 6.406 -21.365 1.00 1.00 C ATOM 27 NE ARG A 2 -19.398 5.850 -21.177 1.00 1.00 N ATOM 28 CZ ARG A 2 -19.195 4.536 -21.191 1.00 1.00 C ATOM 29 NH1 ARG A 2 -20.202 3.729 -21.373 1.00 1.00 N ATOM 30 NH2 ARG A 2 -17.994 4.052 -21.023 1.00 1.00 N ATOM 0 H ARG A 2 -19.738 9.451 -17.697 1.00 1.00 H new ATOM 0 HA ARG A 2 -19.602 10.246 -20.404 1.00 1.00 H new ATOM 0 HB2 ARG A 2 -19.382 7.904 -19.529 1.00 1.00 H new ATOM 0 HB3 ARG A 2 -21.084 7.911 -19.113 1.00 1.00 H new ATOM 0 HG2 ARG A 2 -21.670 8.350 -21.517 1.00 1.00 H new ATOM 0 HG3 ARG A 2 -19.968 8.345 -21.933 1.00 1.00 H new ATOM 0 HD2 ARG A 2 -21.417 5.990 -20.623 1.00 1.00 H new ATOM 0 HD3 ARG A 2 -21.120 6.122 -22.345 1.00 1.00 H new ATOM 0 HE ARG A 2 -18.608 6.479 -21.033 1.00 1.00 H new ATOM 0 HH11 ARG A 2 -21.141 4.106 -21.504 1.00 1.00 H new ATOM 0 HH12 ARG A 2 -20.052 2.720 -21.385 1.00 1.00 H new ATOM 0 HH21 ARG A 2 -17.205 4.683 -20.880 1.00 1.00 H new ATOM 0 HH22 ARG A 2 -17.844 3.043 -21.035 1.00 1.00 H new ATOM 44 N ASP A 3 -22.568 10.338 -18.963 1.00 1.00 N ATOM 45 CA ASP A 3 -23.923 10.858 -19.085 1.00 1.00 C ATOM 46 C ASP A 3 -24.570 10.398 -20.393 1.00 1.00 C ATOM 47 O ASP A 3 -24.804 9.205 -20.593 1.00 1.00 O ATOM 48 CB ASP A 3 -23.884 12.386 -19.032 1.00 1.00 C ATOM 49 CG ASP A 3 -23.559 12.852 -17.614 1.00 1.00 C ATOM 50 OD1 ASP A 3 -23.660 12.041 -16.708 1.00 1.00 O ATOM 51 OD2 ASP A 3 -23.209 14.011 -17.458 1.00 1.00 O ATOM 0 H ASP A 3 -22.361 9.910 -18.061 1.00 1.00 H new ATOM 0 HA ASP A 3 -24.521 10.475 -18.258 1.00 1.00 H new ATOM 0 HB2 ASP A 3 -23.135 12.763 -19.728 1.00 1.00 H new ATOM 0 HB3 ASP A 3 -24.845 12.794 -19.346 1.00 1.00 H new ATOM 56 N MET A 4 -24.862 11.356 -21.273 1.00 1.00 N ATOM 57 CA MET A 4 -25.488 11.053 -22.562 1.00 1.00 C ATOM 58 C MET A 4 -26.519 9.937 -22.424 1.00 1.00 C ATOM 59 O MET A 4 -26.542 9.008 -23.228 1.00 1.00 O ATOM 60 CB MET A 4 -24.426 10.633 -23.579 1.00 1.00 C ATOM 61 CG MET A 4 -23.583 11.844 -23.978 1.00 1.00 C ATOM 62 SD MET A 4 -22.257 11.310 -25.090 1.00 1.00 S ATOM 63 CE MET A 4 -23.303 10.799 -26.479 1.00 1.00 C ATOM 0 H MET A 4 -24.676 12.347 -21.118 1.00 1.00 H new ATOM 0 HA MET A 4 -25.992 11.956 -22.907 1.00 1.00 H new ATOM 0 HB2 MET A 4 -23.788 9.859 -23.153 1.00 1.00 H new ATOM 0 HB3 MET A 4 -24.903 10.204 -24.460 1.00 1.00 H new ATOM 0 HG2 MET A 4 -24.207 12.590 -24.470 1.00 1.00 H new ATOM 0 HG3 MET A 4 -23.161 12.316 -23.091 1.00 1.00 H new ATOM 0 HE1 MET A 4 -22.836 11.102 -27.416 1.00 1.00 H new ATOM 0 HE2 MET A 4 -23.422 9.716 -26.466 1.00 1.00 H new ATOM 0 HE3 MET A 4 -24.281 11.272 -26.391 1.00 1.00 H new ATOM 73 N THR A 5 -27.356 10.031 -21.398 1.00 1.00 N ATOM 74 CA THR A 5 -28.377 9.016 -21.156 1.00 1.00 C ATOM 75 C THR A 5 -27.721 7.672 -20.837 1.00 1.00 C ATOM 76 O THR A 5 -27.630 7.283 -19.672 1.00 1.00 O ATOM 77 CB THR A 5 -29.297 8.872 -22.377 1.00 1.00 C ATOM 78 OG1 THR A 5 -29.713 10.160 -22.809 1.00 1.00 O ATOM 79 CG2 THR A 5 -30.526 8.040 -22.007 1.00 1.00 C ATOM 0 H THR A 5 -27.349 10.795 -20.722 1.00 1.00 H new ATOM 0 HA THR A 5 -28.977 9.331 -20.302 1.00 1.00 H new ATOM 0 HB THR A 5 -28.753 8.373 -23.179 1.00 1.00 H new ATOM 0 HG1 THR A 5 -30.299 10.070 -23.589 1.00 1.00 H new ATOM 0 HG21 THR A 5 -31.174 7.942 -22.878 1.00 1.00 H new ATOM 0 HG22 THR A 5 -30.210 7.051 -21.677 1.00 1.00 H new ATOM 0 HG23 THR A 5 -31.071 8.534 -21.203 1.00 1.00 H new ATOM 87 N GLU A 6 -27.263 6.972 -21.874 1.00 1.00 N ATOM 88 CA GLU A 6 -26.608 5.671 -21.699 1.00 1.00 C ATOM 89 C GLU A 6 -27.260 4.863 -20.578 1.00 1.00 C ATOM 90 O GLU A 6 -26.572 4.220 -19.784 1.00 1.00 O ATOM 91 CB GLU A 6 -25.117 5.865 -21.394 1.00 1.00 C ATOM 92 CG GLU A 6 -24.410 6.460 -22.617 1.00 1.00 C ATOM 93 CD GLU A 6 -24.442 5.475 -23.782 1.00 1.00 C ATOM 94 OE1 GLU A 6 -24.606 4.292 -23.528 1.00 1.00 O ATOM 95 OE2 GLU A 6 -24.300 5.919 -24.911 1.00 1.00 O ATOM 0 H GLU A 6 -27.332 7.281 -22.844 1.00 1.00 H new ATOM 0 HA GLU A 6 -26.721 5.116 -22.630 1.00 1.00 H new ATOM 0 HB2 GLU A 6 -24.995 6.525 -20.535 1.00 1.00 H new ATOM 0 HB3 GLU A 6 -24.663 4.910 -21.129 1.00 1.00 H new ATOM 0 HG2 GLU A 6 -24.895 7.392 -22.907 1.00 1.00 H new ATOM 0 HG3 GLU A 6 -23.377 6.702 -22.366 1.00 1.00 H new ATOM 102 N GLU A 7 -28.587 4.890 -20.522 1.00 1.00 N ATOM 103 CA GLU A 7 -29.309 4.147 -19.498 1.00 1.00 C ATOM 104 C GLU A 7 -29.222 2.649 -19.758 1.00 1.00 C ATOM 105 O GLU A 7 -29.582 2.171 -20.834 1.00 1.00 O ATOM 106 CB GLU A 7 -30.777 4.570 -19.475 1.00 1.00 C ATOM 107 CG GLU A 7 -30.903 6.001 -18.951 1.00 1.00 C ATOM 108 CD GLU A 7 -32.355 6.455 -19.043 1.00 1.00 C ATOM 109 OE1 GLU A 7 -33.171 5.667 -19.495 1.00 1.00 O ATOM 110 OE2 GLU A 7 -32.633 7.581 -18.663 1.00 1.00 O ATOM 0 H GLU A 7 -29.179 5.413 -21.167 1.00 1.00 H new ATOM 0 HA GLU A 7 -28.851 4.368 -18.534 1.00 1.00 H new ATOM 0 HB2 GLU A 7 -31.199 4.503 -20.478 1.00 1.00 H new ATOM 0 HB3 GLU A 7 -31.349 3.891 -18.843 1.00 1.00 H new ATOM 0 HG2 GLU A 7 -30.561 6.052 -17.917 1.00 1.00 H new ATOM 0 HG3 GLU A 7 -30.266 6.668 -19.531 1.00 1.00 H new ATOM 117 N THR A 8 -28.747 1.909 -18.761 1.00 1.00 N ATOM 118 CA THR A 8 -28.618 0.458 -18.875 1.00 1.00 C ATOM 119 C THR A 8 -28.963 -0.206 -17.551 1.00 1.00 C ATOM 120 O THR A 8 -29.211 0.468 -16.552 1.00 1.00 O ATOM 121 CB THR A 8 -27.185 0.086 -19.263 1.00 1.00 C ATOM 122 OG1 THR A 8 -26.318 0.364 -18.173 1.00 1.00 O ATOM 123 CG2 THR A 8 -26.745 0.898 -20.483 1.00 1.00 C ATOM 0 H THR A 8 -28.445 2.289 -17.864 1.00 1.00 H new ATOM 0 HA THR A 8 -29.306 0.111 -19.645 1.00 1.00 H new ATOM 0 HB THR A 8 -27.143 -0.975 -19.508 1.00 1.00 H new ATOM 0 HG1 THR A 8 -25.399 0.126 -18.417 1.00 1.00 H new ATOM 0 HG21 THR A 8 -25.724 0.627 -20.752 1.00 1.00 H new ATOM 0 HG22 THR A 8 -27.409 0.685 -21.320 1.00 1.00 H new ATOM 0 HG23 THR A 8 -26.788 1.961 -20.247 1.00 1.00 H new ATOM 131 N ARG A 9 -28.959 -1.533 -17.545 1.00 1.00 N ATOM 132 CA ARG A 9 -29.252 -2.275 -16.329 1.00 1.00 C ATOM 133 C ARG A 9 -28.241 -1.892 -15.250 1.00 1.00 C ATOM 134 O ARG A 9 -28.523 -1.993 -14.058 1.00 1.00 O ATOM 135 CB ARG A 9 -29.162 -3.786 -16.589 1.00 1.00 C ATOM 136 CG ARG A 9 -30.212 -4.225 -17.627 1.00 1.00 C ATOM 137 CD ARG A 9 -31.568 -4.472 -16.948 1.00 1.00 C ATOM 138 NE ARG A 9 -31.448 -5.512 -15.931 1.00 1.00 N ATOM 139 CZ ARG A 9 -31.502 -6.804 -16.254 1.00 1.00 C ATOM 140 NH1 ARG A 9 -31.681 -7.159 -17.493 1.00 1.00 N ATOM 141 NH2 ARG A 9 -31.383 -7.713 -15.328 1.00 1.00 N ATOM 0 H ARG A 9 -28.758 -2.111 -18.361 1.00 1.00 H new ATOM 0 HA ARG A 9 -30.262 -2.031 -16.001 1.00 1.00 H new ATOM 0 HB2 ARG A 9 -28.164 -4.040 -16.945 1.00 1.00 H new ATOM 0 HB3 ARG A 9 -29.316 -4.330 -15.657 1.00 1.00 H new ATOM 0 HG2 ARG A 9 -30.317 -3.458 -18.394 1.00 1.00 H new ATOM 0 HG3 ARG A 9 -29.879 -5.134 -18.129 1.00 1.00 H new ATOM 0 HD2 ARG A 9 -31.927 -3.549 -16.492 1.00 1.00 H new ATOM 0 HD3 ARG A 9 -32.306 -4.767 -17.693 1.00 1.00 H new ATOM 0 HE ARG A 9 -31.320 -5.245 -14.955 1.00 1.00 H new ATOM 0 HH11 ARG A 9 -31.780 -6.448 -18.218 1.00 1.00 H new ATOM 0 HH12 ARG A 9 -31.722 -8.148 -17.739 1.00 1.00 H new ATOM 0 HH21 ARG A 9 -31.249 -7.436 -14.356 1.00 1.00 H new ATOM 0 HH22 ARG A 9 -31.424 -8.702 -15.576 1.00 1.00 H new ATOM 155 N LYS A 10 -27.055 -1.463 -15.686 1.00 1.00 N ATOM 156 CA LYS A 10 -25.994 -1.079 -14.757 1.00 1.00 C ATOM 157 C LYS A 10 -25.656 -2.241 -13.835 1.00 1.00 C ATOM 158 O LYS A 10 -26.208 -2.372 -12.742 1.00 1.00 O ATOM 159 CB LYS A 10 -26.416 0.148 -13.942 1.00 1.00 C ATOM 160 CG LYS A 10 -26.469 1.363 -14.868 1.00 1.00 C ATOM 161 CD LYS A 10 -26.888 2.601 -14.076 1.00 1.00 C ATOM 162 CE LYS A 10 -26.949 3.799 -15.021 1.00 1.00 C ATOM 163 NZ LYS A 10 -27.377 5.006 -14.261 1.00 1.00 N ATOM 0 H LYS A 10 -26.807 -1.374 -16.671 1.00 1.00 H new ATOM 0 HA LYS A 10 -25.104 -0.821 -15.331 1.00 1.00 H new ATOM 0 HB2 LYS A 10 -27.391 -0.020 -13.485 1.00 1.00 H new ATOM 0 HB3 LYS A 10 -25.709 0.323 -13.131 1.00 1.00 H new ATOM 0 HG2 LYS A 10 -25.493 1.526 -15.325 1.00 1.00 H new ATOM 0 HG3 LYS A 10 -27.175 1.183 -15.679 1.00 1.00 H new ATOM 0 HD2 LYS A 10 -27.860 2.439 -13.611 1.00 1.00 H new ATOM 0 HD3 LYS A 10 -26.177 2.792 -13.272 1.00 1.00 H new ATOM 0 HE2 LYS A 10 -25.973 3.969 -15.475 1.00 1.00 H new ATOM 0 HE3 LYS A 10 -27.648 3.600 -15.833 1.00 1.00 H new ATOM 0 HZ1 LYS A 10 -27.419 5.823 -14.903 1.00 1.00 H new ATOM 0 HZ2 LYS A 10 -28.317 4.841 -13.848 1.00 1.00 H new ATOM 0 HZ3 LYS A 10 -26.694 5.198 -13.501 1.00 1.00 H new ATOM 177 N ASP A 11 -24.751 -3.092 -14.305 1.00 1.00 N ATOM 178 CA ASP A 11 -24.337 -4.268 -13.548 1.00 1.00 C ATOM 179 C ASP A 11 -23.291 -3.910 -12.490 1.00 1.00 C ATOM 180 O ASP A 11 -23.013 -2.736 -12.245 1.00 1.00 O ATOM 181 CB ASP A 11 -23.761 -5.313 -14.506 1.00 1.00 C ATOM 182 CG ASP A 11 -24.871 -5.904 -15.373 1.00 1.00 C ATOM 183 OD1 ASP A 11 -26.027 -5.727 -15.024 1.00 1.00 O ATOM 184 OD2 ASP A 11 -24.549 -6.525 -16.372 1.00 1.00 O ATOM 0 H ASP A 11 -24.289 -2.989 -15.209 1.00 1.00 H new ATOM 0 HA ASP A 11 -25.211 -4.671 -13.037 1.00 1.00 H new ATOM 0 HB2 ASP A 11 -23.000 -4.856 -15.139 1.00 1.00 H new ATOM 0 HB3 ASP A 11 -23.271 -6.105 -13.940 1.00 1.00 H new ATOM 189 N LEU A 12 -22.723 -4.945 -11.867 1.00 1.00 N ATOM 190 CA LEU A 12 -21.713 -4.759 -10.823 1.00 1.00 C ATOM 191 C LEU A 12 -20.652 -3.744 -11.274 1.00 1.00 C ATOM 192 O LEU A 12 -20.350 -3.655 -12.464 1.00 1.00 O ATOM 193 CB LEU A 12 -21.046 -6.116 -10.508 1.00 1.00 C ATOM 194 CG LEU A 12 -20.463 -6.757 -11.802 1.00 1.00 C ATOM 195 CD1 LEU A 12 -18.953 -6.503 -11.885 1.00 1.00 C ATOM 196 CD2 LEU A 12 -20.697 -8.274 -11.787 1.00 1.00 C ATOM 0 H LEU A 12 -22.945 -5.920 -12.067 1.00 1.00 H new ATOM 0 HA LEU A 12 -22.197 -4.373 -9.926 1.00 1.00 H new ATOM 0 HB2 LEU A 12 -20.251 -5.975 -9.776 1.00 1.00 H new ATOM 0 HB3 LEU A 12 -21.776 -6.790 -10.059 1.00 1.00 H new ATOM 0 HG LEU A 12 -20.963 -6.308 -12.661 1.00 1.00 H new ATOM 0 HD11 LEU A 12 -18.557 -6.956 -12.794 1.00 1.00 H new ATOM 0 HD12 LEU A 12 -18.765 -5.429 -11.903 1.00 1.00 H new ATOM 0 HD13 LEU A 12 -18.462 -6.943 -11.017 1.00 1.00 H new ATOM 0 HD21 LEU A 12 -20.286 -8.715 -12.696 1.00 1.00 H new ATOM 0 HD22 LEU A 12 -20.204 -8.710 -10.918 1.00 1.00 H new ATOM 0 HD23 LEU A 12 -21.767 -8.477 -11.737 1.00 1.00 H new ATOM 208 N PRO A 13 -20.086 -2.973 -10.364 1.00 1.00 N ATOM 209 CA PRO A 13 -19.051 -1.943 -10.717 1.00 1.00 C ATOM 210 C PRO A 13 -17.782 -2.587 -11.312 1.00 1.00 C ATOM 211 O PRO A 13 -17.243 -3.528 -10.731 1.00 1.00 O ATOM 212 CB PRO A 13 -18.747 -1.244 -9.370 1.00 1.00 C ATOM 213 CG PRO A 13 -19.209 -2.192 -8.308 1.00 1.00 C ATOM 214 CD PRO A 13 -20.365 -2.989 -8.916 1.00 1.00 C ATOM 0 HA PRO A 13 -19.402 -1.250 -11.482 1.00 1.00 H new ATOM 0 HB2 PRO A 13 -17.682 -1.033 -9.270 1.00 1.00 H new ATOM 0 HB3 PRO A 13 -19.269 -0.290 -9.297 1.00 1.00 H new ATOM 0 HG2 PRO A 13 -18.400 -2.854 -8.000 1.00 1.00 H new ATOM 0 HG3 PRO A 13 -19.535 -1.651 -7.419 1.00 1.00 H new ATOM 0 HD2 PRO A 13 -20.397 -4.007 -8.527 1.00 1.00 H new ATOM 0 HD3 PRO A 13 -21.328 -2.531 -8.690 1.00 1.00 H new ATOM 222 N PRO A 14 -17.279 -2.107 -12.441 1.00 1.00 N ATOM 223 CA PRO A 14 -16.046 -2.676 -13.065 1.00 1.00 C ATOM 224 C PRO A 14 -14.779 -2.211 -12.349 1.00 1.00 C ATOM 225 O PRO A 14 -13.665 -2.536 -12.761 1.00 1.00 O ATOM 226 CB PRO A 14 -16.095 -2.150 -14.503 1.00 1.00 C ATOM 227 CG PRO A 14 -16.801 -0.837 -14.397 1.00 1.00 C ATOM 228 CD PRO A 14 -17.813 -0.987 -13.249 1.00 1.00 C ATOM 0 HA PRO A 14 -16.017 -3.764 -13.009 1.00 1.00 H new ATOM 0 HB2 PRO A 14 -15.093 -2.030 -14.916 1.00 1.00 H new ATOM 0 HB3 PRO A 14 -16.630 -2.837 -15.159 1.00 1.00 H new ATOM 0 HG2 PRO A 14 -16.096 -0.031 -14.192 1.00 1.00 H new ATOM 0 HG3 PRO A 14 -17.305 -0.589 -15.331 1.00 1.00 H new ATOM 0 HD2 PRO A 14 -17.888 -0.072 -12.662 1.00 1.00 H new ATOM 0 HD3 PRO A 14 -18.812 -1.207 -13.625 1.00 1.00 H new ATOM 236 N GLU A 15 -14.962 -1.451 -11.274 1.00 1.00 N ATOM 237 CA GLU A 15 -13.834 -0.946 -10.503 1.00 1.00 C ATOM 238 C GLU A 15 -12.985 -2.107 -9.998 1.00 1.00 C ATOM 239 O GLU A 15 -11.762 -2.004 -9.912 1.00 1.00 O ATOM 240 CB GLU A 15 -14.342 -0.128 -9.311 1.00 1.00 C ATOM 241 CG GLU A 15 -13.158 0.478 -8.553 1.00 1.00 C ATOM 242 CD GLU A 15 -13.667 1.317 -7.385 1.00 1.00 C ATOM 243 OE1 GLU A 15 -14.848 1.620 -7.371 1.00 1.00 O ATOM 244 OE2 GLU A 15 -12.868 1.644 -6.524 1.00 1.00 O ATOM 0 H GLU A 15 -15.877 -1.173 -10.919 1.00 1.00 H new ATOM 0 HA GLU A 15 -13.226 -0.309 -11.146 1.00 1.00 H new ATOM 0 HB2 GLU A 15 -15.006 0.663 -9.658 1.00 1.00 H new ATOM 0 HB3 GLU A 15 -14.925 -0.764 -8.644 1.00 1.00 H new ATOM 0 HG2 GLU A 15 -12.505 -0.314 -8.186 1.00 1.00 H new ATOM 0 HG3 GLU A 15 -12.563 1.096 -9.225 1.00 1.00 H new ATOM 251 N ALA A 16 -13.646 -3.210 -9.661 1.00 1.00 N ATOM 252 CA ALA A 16 -12.942 -4.385 -9.164 1.00 1.00 C ATOM 253 C ALA A 16 -11.910 -4.854 -10.180 1.00 1.00 C ATOM 254 O ALA A 16 -10.752 -5.098 -9.839 1.00 1.00 O ATOM 255 CB ALA A 16 -13.937 -5.514 -8.894 1.00 1.00 C ATOM 0 H ALA A 16 -14.659 -3.314 -9.722 1.00 1.00 H new ATOM 0 HA ALA A 16 -12.434 -4.118 -8.237 1.00 1.00 H new ATOM 0 HB1 ALA A 16 -13.403 -6.389 -8.523 1.00 1.00 H new ATOM 0 HB2 ALA A 16 -14.663 -5.189 -8.149 1.00 1.00 H new ATOM 0 HB3 ALA A 16 -14.456 -5.771 -9.818 1.00 1.00 H new ATOM 261 N LEU A 17 -12.339 -4.972 -11.431 1.00 1.00 N ATOM 262 CA LEU A 17 -11.447 -5.407 -12.500 1.00 1.00 C ATOM 263 C LEU A 17 -10.331 -4.392 -12.690 1.00 1.00 C ATOM 264 O LEU A 17 -9.166 -4.752 -12.858 1.00 1.00 O ATOM 265 CB LEU A 17 -12.234 -5.551 -13.797 1.00 1.00 C ATOM 266 CG LEU A 17 -13.465 -6.427 -13.558 1.00 1.00 C ATOM 267 CD1 LEU A 17 -14.292 -6.471 -14.840 1.00 1.00 C ATOM 268 CD2 LEU A 17 -13.028 -7.849 -13.179 1.00 1.00 C ATOM 0 H LEU A 17 -13.294 -4.774 -11.730 1.00 1.00 H new ATOM 0 HA LEU A 17 -11.012 -6.370 -12.231 1.00 1.00 H new ATOM 0 HB2 LEU A 17 -12.539 -4.569 -14.160 1.00 1.00 H new ATOM 0 HB3 LEU A 17 -11.604 -5.994 -14.569 1.00 1.00 H new ATOM 0 HG LEU A 17 -14.060 -6.012 -12.744 1.00 1.00 H new ATOM 0 HD11 LEU A 17 -15.173 -7.093 -14.683 1.00 1.00 H new ATOM 0 HD12 LEU A 17 -14.603 -5.461 -15.107 1.00 1.00 H new ATOM 0 HD13 LEU A 17 -13.691 -6.891 -15.647 1.00 1.00 H new ATOM 0 HD21 LEU A 17 -13.909 -8.468 -13.010 1.00 1.00 H new ATOM 0 HD22 LEU A 17 -12.435 -8.275 -13.988 1.00 1.00 H new ATOM 0 HD23 LEU A 17 -12.429 -7.815 -12.269 1.00 1.00 H new ATOM 280 N ARG A 18 -10.701 -3.120 -12.647 1.00 1.00 N ATOM 281 CA ARG A 18 -9.733 -2.045 -12.796 1.00 1.00 C ATOM 282 C ARG A 18 -8.783 -2.055 -11.610 1.00 1.00 C ATOM 283 O ARG A 18 -7.597 -1.758 -11.745 1.00 1.00 O ATOM 284 CB ARG A 18 -10.447 -0.692 -12.880 1.00 1.00 C ATOM 285 CG ARG A 18 -11.378 -0.652 -14.104 1.00 1.00 C ATOM 286 CD ARG A 18 -10.579 -0.379 -15.384 1.00 1.00 C ATOM 287 NE ARG A 18 -9.921 0.917 -15.300 1.00 1.00 N ATOM 288 CZ ARG A 18 -9.176 1.377 -16.299 1.00 1.00 C ATOM 289 NH1 ARG A 18 -9.021 0.666 -17.382 1.00 1.00 N ATOM 290 NH2 ARG A 18 -8.602 2.541 -16.203 1.00 1.00 N ATOM 0 H ARG A 18 -11.663 -2.808 -12.510 1.00 1.00 H new ATOM 0 HA ARG A 18 -9.170 -2.198 -13.717 1.00 1.00 H new ATOM 0 HB2 ARG A 18 -11.023 -0.521 -11.971 1.00 1.00 H new ATOM 0 HB3 ARG A 18 -9.712 0.110 -12.947 1.00 1.00 H new ATOM 0 HG2 ARG A 18 -11.908 -1.600 -14.195 1.00 1.00 H new ATOM 0 HG3 ARG A 18 -12.132 0.123 -13.968 1.00 1.00 H new ATOM 0 HD2 ARG A 18 -9.836 -1.163 -15.532 1.00 1.00 H new ATOM 0 HD3 ARG A 18 -11.243 -0.402 -16.248 1.00 1.00 H new ATOM 0 HE ARG A 18 -10.034 1.482 -14.459 1.00 1.00 H new ATOM 0 HH11 ARG A 18 -9.472 -0.245 -17.463 1.00 1.00 H new ATOM 0 HH12 ARG A 18 -8.448 1.021 -18.148 1.00 1.00 H new ATOM 0 HH21 ARG A 18 -8.724 3.102 -15.360 1.00 1.00 H new ATOM 0 HH22 ARG A 18 -8.030 2.893 -16.971 1.00 1.00 H new ATOM 304 N ALA A 19 -9.317 -2.412 -10.446 1.00 1.00 N ATOM 305 CA ALA A 19 -8.502 -2.469 -9.240 1.00 1.00 C ATOM 306 C ALA A 19 -7.376 -3.476 -9.438 1.00 1.00 C ATOM 307 O ALA A 19 -6.238 -3.242 -9.034 1.00 1.00 O ATOM 308 CB ALA A 19 -9.355 -2.887 -8.041 1.00 1.00 C ATOM 0 H ALA A 19 -10.297 -2.663 -10.314 1.00 1.00 H new ATOM 0 HA ALA A 19 -8.085 -1.481 -9.048 1.00 1.00 H new ATOM 0 HB1 ALA A 19 -8.732 -2.925 -7.147 1.00 1.00 H new ATOM 0 HB2 ALA A 19 -10.156 -2.163 -7.894 1.00 1.00 H new ATOM 0 HB3 ALA A 19 -9.785 -3.871 -8.226 1.00 1.00 H new ATOM 314 N LEU A 20 -7.707 -4.593 -10.081 1.00 1.00 N ATOM 315 CA LEU A 20 -6.718 -5.631 -10.350 1.00 1.00 C ATOM 316 C LEU A 20 -5.644 -5.087 -11.286 1.00 1.00 C ATOM 317 O LEU A 20 -4.457 -5.362 -11.116 1.00 1.00 O ATOM 318 CB LEU A 20 -7.399 -6.859 -10.985 1.00 1.00 C ATOM 319 CG LEU A 20 -8.065 -7.729 -9.894 1.00 1.00 C ATOM 320 CD1 LEU A 20 -9.224 -8.525 -10.502 1.00 1.00 C ATOM 321 CD2 LEU A 20 -7.041 -8.717 -9.315 1.00 1.00 C ATOM 0 H LEU A 20 -8.645 -4.801 -10.423 1.00 1.00 H new ATOM 0 HA LEU A 20 -6.254 -5.934 -9.411 1.00 1.00 H new ATOM 0 HB2 LEU A 20 -8.148 -6.535 -11.708 1.00 1.00 H new ATOM 0 HB3 LEU A 20 -6.663 -7.449 -11.531 1.00 1.00 H new ATOM 0 HG LEU A 20 -8.436 -7.076 -9.104 1.00 1.00 H new ATOM 0 HD11 LEU A 20 -9.690 -9.137 -9.729 1.00 1.00 H new ATOM 0 HD12 LEU A 20 -9.962 -7.836 -10.914 1.00 1.00 H new ATOM 0 HD13 LEU A 20 -8.846 -9.169 -11.296 1.00 1.00 H new ATOM 0 HD21 LEU A 20 -7.517 -9.326 -8.547 1.00 1.00 H new ATOM 0 HD22 LEU A 20 -6.668 -9.362 -10.110 1.00 1.00 H new ATOM 0 HD23 LEU A 20 -6.210 -8.164 -8.876 1.00 1.00 H new ATOM 333 N ALA A 21 -6.076 -4.309 -12.276 1.00 1.00 N ATOM 334 CA ALA A 21 -5.149 -3.724 -13.238 1.00 1.00 C ATOM 335 C ALA A 21 -4.207 -2.752 -12.540 1.00 1.00 C ATOM 336 O ALA A 21 -3.015 -2.702 -12.841 1.00 1.00 O ATOM 337 CB ALA A 21 -5.928 -2.995 -14.337 1.00 1.00 C ATOM 0 H ALA A 21 -7.056 -4.071 -12.432 1.00 1.00 H new ATOM 0 HA ALA A 21 -4.560 -4.523 -13.687 1.00 1.00 H new ATOM 0 HB1 ALA A 21 -5.229 -2.561 -15.052 1.00 1.00 H new ATOM 0 HB2 ALA A 21 -6.580 -3.702 -14.851 1.00 1.00 H new ATOM 0 HB3 ALA A 21 -6.530 -2.203 -13.892 1.00 1.00 H new ATOM 343 N GLU A 22 -4.745 -1.991 -11.598 1.00 1.00 N ATOM 344 CA GLU A 22 -3.934 -1.037 -10.856 1.00 1.00 C ATOM 345 C GLU A 22 -2.942 -1.777 -9.971 1.00 1.00 C ATOM 346 O GLU A 22 -1.825 -1.310 -9.743 1.00 1.00 O ATOM 347 CB GLU A 22 -4.829 -0.143 -10.004 1.00 1.00 C ATOM 348 CG GLU A 22 -5.627 0.788 -10.918 1.00 1.00 C ATOM 349 CD GLU A 22 -6.564 1.655 -10.085 1.00 1.00 C ATOM 350 OE1 GLU A 22 -6.532 1.528 -8.871 1.00 1.00 O ATOM 351 OE2 GLU A 22 -7.297 2.434 -10.672 1.00 1.00 O ATOM 0 H GLU A 22 -5.729 -2.014 -11.331 1.00 1.00 H new ATOM 0 HA GLU A 22 -3.383 -0.415 -11.562 1.00 1.00 H new ATOM 0 HB2 GLU A 22 -5.506 -0.752 -9.405 1.00 1.00 H new ATOM 0 HB3 GLU A 22 -4.225 0.440 -9.309 1.00 1.00 H new ATOM 0 HG2 GLU A 22 -4.948 1.419 -11.492 1.00 1.00 H new ATOM 0 HG3 GLU A 22 -6.201 0.203 -11.636 1.00 1.00 H new ATOM 358 N ALA A 23 -3.356 -2.941 -9.487 1.00 1.00 N ATOM 359 CA ALA A 23 -2.496 -3.750 -8.638 1.00 1.00 C ATOM 360 C ALA A 23 -1.243 -4.144 -9.405 1.00 1.00 C ATOM 361 O ALA A 23 -0.150 -4.215 -8.843 1.00 1.00 O ATOM 362 CB ALA A 23 -3.238 -5.007 -8.182 1.00 1.00 C ATOM 0 H ALA A 23 -4.276 -3.343 -9.667 1.00 1.00 H new ATOM 0 HA ALA A 23 -2.215 -3.167 -7.761 1.00 1.00 H new ATOM 0 HB1 ALA A 23 -2.584 -5.605 -7.547 1.00 1.00 H new ATOM 0 HB2 ALA A 23 -4.127 -4.721 -7.620 1.00 1.00 H new ATOM 0 HB3 ALA A 23 -3.532 -5.592 -9.053 1.00 1.00 H new ATOM 368 N GLU A 24 -1.412 -4.395 -10.700 1.00 1.00 N ATOM 369 CA GLU A 24 -0.289 -4.775 -11.545 1.00 1.00 C ATOM 370 C GLU A 24 0.675 -3.602 -11.690 1.00 1.00 C ATOM 371 O GLU A 24 1.890 -3.766 -11.589 1.00 1.00 O ATOM 372 CB GLU A 24 -0.793 -5.204 -12.926 1.00 1.00 C ATOM 373 CG GLU A 24 -1.667 -6.453 -12.787 1.00 1.00 C ATOM 374 CD GLU A 24 -0.828 -7.635 -12.310 1.00 1.00 C ATOM 375 OE1 GLU A 24 0.382 -7.573 -12.452 1.00 1.00 O ATOM 376 OE2 GLU A 24 -1.409 -8.585 -11.810 1.00 1.00 O ATOM 0 H GLU A 24 -2.309 -4.342 -11.182 1.00 1.00 H new ATOM 0 HA GLU A 24 0.233 -5.611 -11.081 1.00 1.00 H new ATOM 0 HB2 GLU A 24 -1.365 -4.396 -13.383 1.00 1.00 H new ATOM 0 HB3 GLU A 24 0.051 -5.409 -13.585 1.00 1.00 H new ATOM 0 HG2 GLU A 24 -2.475 -6.263 -12.081 1.00 1.00 H new ATOM 0 HG3 GLU A 24 -2.130 -6.690 -13.745 1.00 1.00 H new ATOM 383 N GLU A 25 0.121 -2.413 -11.916 1.00 1.00 N ATOM 384 CA GLU A 25 0.939 -1.217 -12.059 1.00 1.00 C ATOM 385 C GLU A 25 1.582 -0.865 -10.723 1.00 1.00 C ATOM 386 O GLU A 25 2.708 -0.375 -10.672 1.00 1.00 O ATOM 387 CB GLU A 25 0.089 -0.042 -12.548 1.00 1.00 C ATOM 388 CG GLU A 25 -0.388 -0.311 -13.977 1.00 1.00 C ATOM 389 CD GLU A 25 -1.291 0.826 -14.450 1.00 1.00 C ATOM 390 OE1 GLU A 25 -1.475 1.764 -13.692 1.00 1.00 O ATOM 391 OE2 GLU A 25 -1.785 0.740 -15.563 1.00 1.00 O ATOM 0 H GLU A 25 -0.883 -2.255 -12.003 1.00 1.00 H new ATOM 0 HA GLU A 25 1.719 -1.416 -12.794 1.00 1.00 H new ATOM 0 HB2 GLU A 25 -0.768 0.099 -11.889 1.00 1.00 H new ATOM 0 HB3 GLU A 25 0.671 0.879 -12.516 1.00 1.00 H new ATOM 0 HG2 GLU A 25 0.469 -0.406 -14.643 1.00 1.00 H new ATOM 0 HG3 GLU A 25 -0.929 -1.256 -14.016 1.00 1.00 H new ATOM 398 N ARG A 26 0.852 -1.135 -9.640 1.00 1.00 N ATOM 399 CA ARG A 26 1.339 -0.855 -8.286 1.00 1.00 C ATOM 400 C ARG A 26 2.138 0.445 -8.237 1.00 1.00 C ATOM 401 O ARG A 26 2.046 1.278 -9.141 1.00 1.00 O ATOM 402 CB ARG A 26 2.197 -2.023 -7.763 1.00 1.00 C ATOM 403 CG ARG A 26 3.405 -2.257 -8.680 1.00 1.00 C ATOM 404 CD ARG A 26 4.303 -3.344 -8.087 1.00 1.00 C ATOM 405 NE ARG A 26 5.427 -3.592 -8.981 1.00 1.00 N ATOM 406 CZ ARG A 26 6.178 -4.682 -8.860 1.00 1.00 C ATOM 407 NH1 ARG A 26 5.934 -5.537 -7.906 1.00 1.00 N ATOM 408 NH2 ARG A 26 7.158 -4.895 -9.694 1.00 1.00 N ATOM 0 H ARG A 26 -0.080 -1.548 -9.673 1.00 1.00 H new ATOM 0 HA ARG A 26 0.467 -0.741 -7.642 1.00 1.00 H new ATOM 0 HB2 ARG A 26 2.538 -1.806 -6.751 1.00 1.00 H new ATOM 0 HB3 ARG A 26 1.594 -2.929 -7.709 1.00 1.00 H new ATOM 0 HG2 ARG A 26 3.067 -2.553 -9.673 1.00 1.00 H new ATOM 0 HG3 ARG A 26 3.968 -1.331 -8.798 1.00 1.00 H new ATOM 0 HD2 ARG A 26 4.666 -3.035 -7.107 1.00 1.00 H new ATOM 0 HD3 ARG A 26 3.733 -4.261 -7.941 1.00 1.00 H new ATOM 0 HE ARG A 26 5.642 -2.916 -9.714 1.00 1.00 H new ATOM 0 HH11 ARG A 26 5.168 -5.369 -7.254 1.00 1.00 H new ATOM 0 HH12 ARG A 26 6.509 -6.374 -7.812 1.00 1.00 H new ATOM 0 HH21 ARG A 26 7.348 -4.225 -10.439 1.00 1.00 H new ATOM 0 HH22 ARG A 26 7.734 -5.732 -9.601 1.00 1.00 H new ATOM 422 N ARG A 27 2.910 0.622 -7.164 1.00 1.00 N ATOM 423 CA ARG A 27 3.719 1.832 -6.989 1.00 1.00 C ATOM 424 C ARG A 27 5.172 1.562 -7.356 1.00 1.00 C ATOM 425 O ARG A 27 5.967 1.146 -6.515 1.00 1.00 O ATOM 426 CB ARG A 27 3.658 2.302 -5.534 1.00 1.00 C ATOM 427 CG ARG A 27 2.255 2.821 -5.214 1.00 1.00 C ATOM 428 CD ARG A 27 2.198 3.266 -3.750 1.00 1.00 C ATOM 429 NE ARG A 27 2.329 2.117 -2.864 1.00 1.00 N ATOM 430 CZ ARG A 27 2.605 2.273 -1.572 1.00 1.00 C ATOM 431 NH1 ARG A 27 2.754 3.471 -1.076 1.00 1.00 N ATOM 432 NH2 ARG A 27 2.727 1.233 -0.799 1.00 1.00 N ATOM 0 H ARG A 27 2.993 -0.054 -6.405 1.00 1.00 H new ATOM 0 HA ARG A 27 3.317 2.604 -7.645 1.00 1.00 H new ATOM 0 HB2 ARG A 27 3.912 1.479 -4.866 1.00 1.00 H new ATOM 0 HB3 ARG A 27 4.394 3.088 -5.365 1.00 1.00 H new ATOM 0 HG2 ARG A 27 2.006 3.656 -5.869 1.00 1.00 H new ATOM 0 HG3 ARG A 27 1.516 2.041 -5.397 1.00 1.00 H new ATOM 0 HD2 ARG A 27 2.996 3.981 -3.549 1.00 1.00 H new ATOM 0 HD3 ARG A 27 1.255 3.778 -3.555 1.00 1.00 H new ATOM 0 HE ARG A 27 2.207 1.177 -3.241 1.00 1.00 H new ATOM 0 HH11 ARG A 27 2.659 4.288 -1.679 1.00 1.00 H new ATOM 0 HH12 ARG A 27 2.966 3.590 -0.085 1.00 1.00 H new ATOM 0 HH21 ARG A 27 2.611 0.295 -1.183 1.00 1.00 H new ATOM 0 HH22 ARG A 27 2.939 1.356 0.191 1.00 1.00 H new ATOM 446 N ARG A 28 5.512 1.803 -8.614 1.00 1.00 N ATOM 447 CA ARG A 28 6.873 1.584 -9.082 1.00 1.00 C ATOM 448 C ARG A 28 7.842 2.564 -8.420 1.00 1.00 C ATOM 449 O ARG A 28 8.986 2.217 -8.124 1.00 1.00 O ATOM 450 CB ARG A 28 6.933 1.739 -10.599 1.00 1.00 C ATOM 451 CG ARG A 28 6.168 0.585 -11.248 1.00 1.00 C ATOM 452 CD ARG A 28 6.152 0.771 -12.765 1.00 1.00 C ATOM 453 NE ARG A 28 7.506 0.678 -13.298 1.00 1.00 N ATOM 454 CZ ARG A 28 7.757 0.899 -14.583 1.00 1.00 C ATOM 455 NH1 ARG A 28 6.782 1.204 -15.393 1.00 1.00 N ATOM 456 NH2 ARG A 28 8.977 0.809 -15.031 1.00 1.00 N ATOM 0 H ARG A 28 4.868 2.148 -9.326 1.00 1.00 H new ATOM 0 HA ARG A 28 7.170 0.571 -8.810 1.00 1.00 H new ATOM 0 HB2 ARG A 28 6.499 2.693 -10.897 1.00 1.00 H new ATOM 0 HB3 ARG A 28 7.969 1.741 -10.937 1.00 1.00 H new ATOM 0 HG2 ARG A 28 6.637 -0.365 -10.993 1.00 1.00 H new ATOM 0 HG3 ARG A 28 5.148 0.550 -10.865 1.00 1.00 H new ATOM 0 HD2 ARG A 28 5.519 0.012 -13.225 1.00 1.00 H new ATOM 0 HD3 ARG A 28 5.721 1.740 -13.015 1.00 1.00 H new ATOM 0 HE ARG A 28 8.275 0.439 -12.672 1.00 1.00 H new ATOM 0 HH11 ARG A 28 5.828 1.273 -15.039 1.00 1.00 H new ATOM 0 HH12 ARG A 28 6.973 1.374 -16.380 1.00 1.00 H new ATOM 0 HH21 ARG A 28 9.737 0.569 -14.395 1.00 1.00 H new ATOM 0 HH22 ARG A 28 9.172 0.978 -16.018 1.00 1.00 H new ATOM 470 N ARG A 29 7.376 3.789 -8.197 1.00 1.00 N ATOM 471 CA ARG A 29 8.211 4.816 -7.579 1.00 1.00 C ATOM 472 C ARG A 29 8.646 4.392 -6.181 1.00 1.00 C ATOM 473 O ARG A 29 9.653 4.869 -5.662 1.00 1.00 O ATOM 474 CB ARG A 29 7.434 6.135 -7.499 1.00 1.00 C ATOM 475 CG ARG A 29 6.262 5.995 -6.518 1.00 1.00 C ATOM 476 CD ARG A 29 5.417 7.267 -6.550 1.00 1.00 C ATOM 477 NE ARG A 29 4.758 7.398 -7.843 1.00 1.00 N ATOM 478 CZ ARG A 29 3.970 8.435 -8.107 1.00 1.00 C ATOM 479 NH1 ARG A 29 3.756 9.338 -7.193 1.00 1.00 N ATOM 480 NH2 ARG A 29 3.404 8.548 -9.277 1.00 1.00 N ATOM 0 H ARG A 29 6.432 4.094 -8.433 1.00 1.00 H new ATOM 0 HA ARG A 29 9.102 4.952 -8.193 1.00 1.00 H new ATOM 0 HB2 ARG A 29 8.096 6.938 -7.175 1.00 1.00 H new ATOM 0 HB3 ARG A 29 7.062 6.408 -8.486 1.00 1.00 H new ATOM 0 HG2 ARG A 29 5.651 5.133 -6.785 1.00 1.00 H new ATOM 0 HG3 ARG A 29 6.637 5.820 -5.510 1.00 1.00 H new ATOM 0 HD2 ARG A 29 4.672 7.238 -5.755 1.00 1.00 H new ATOM 0 HD3 ARG A 29 6.048 8.137 -6.365 1.00 1.00 H new ATOM 0 HE ARG A 29 4.904 6.683 -8.556 1.00 1.00 H new ATOM 0 HH11 ARG A 29 4.193 9.249 -6.276 1.00 1.00 H new ATOM 0 HH12 ARG A 29 3.151 10.134 -7.395 1.00 1.00 H new ATOM 0 HH21 ARG A 29 3.566 7.839 -9.992 1.00 1.00 H new ATOM 0 HH22 ARG A 29 2.800 9.345 -9.476 1.00 1.00 H new ATOM 494 N ALA A 30 7.875 3.496 -5.576 1.00 1.00 N ATOM 495 CA ALA A 30 8.184 3.018 -4.235 1.00 1.00 C ATOM 496 C ALA A 30 9.507 2.267 -4.224 1.00 1.00 C ATOM 497 O ALA A 30 10.259 2.323 -3.252 1.00 1.00 O ATOM 498 CB ALA A 30 7.068 2.101 -3.739 1.00 1.00 C ATOM 0 H ALA A 30 7.037 3.088 -5.990 1.00 1.00 H new ATOM 0 HA ALA A 30 8.266 3.880 -3.573 1.00 1.00 H new ATOM 0 HB1 ALA A 30 7.306 1.748 -2.736 1.00 1.00 H new ATOM 0 HB2 ALA A 30 6.128 2.652 -3.716 1.00 1.00 H new ATOM 0 HB3 ALA A 30 6.972 1.248 -4.411 1.00 1.00 H new ATOM 504 N LYS A 31 9.784 1.556 -5.311 1.00 1.00 N ATOM 505 CA LYS A 31 11.019 0.790 -5.413 1.00 1.00 C ATOM 506 C LYS A 31 12.229 1.706 -5.284 1.00 1.00 C ATOM 507 O LYS A 31 13.205 1.363 -4.618 1.00 1.00 O ATOM 508 CB LYS A 31 11.065 0.063 -6.755 1.00 1.00 C ATOM 509 CG LYS A 31 10.015 -1.045 -6.773 1.00 1.00 C ATOM 510 CD LYS A 31 10.037 -1.745 -8.134 1.00 1.00 C ATOM 511 CE LYS A 31 8.942 -2.810 -8.181 1.00 1.00 C ATOM 512 NZ LYS A 31 9.218 -3.852 -7.152 1.00 1.00 N ATOM 0 H LYS A 31 9.176 1.494 -6.127 1.00 1.00 H new ATOM 0 HA LYS A 31 11.045 0.061 -4.603 1.00 1.00 H new ATOM 0 HB2 LYS A 31 10.881 0.766 -7.567 1.00 1.00 H new ATOM 0 HB3 LYS A 31 12.057 -0.359 -6.918 1.00 1.00 H new ATOM 0 HG2 LYS A 31 10.216 -1.764 -5.979 1.00 1.00 H new ATOM 0 HG3 LYS A 31 9.026 -0.627 -6.583 1.00 1.00 H new ATOM 0 HD2 LYS A 31 9.885 -1.017 -8.931 1.00 1.00 H new ATOM 0 HD3 LYS A 31 11.011 -2.203 -8.303 1.00 1.00 H new ATOM 0 HE2 LYS A 31 7.969 -2.354 -8.000 1.00 1.00 H new ATOM 0 HE3 LYS A 31 8.903 -3.263 -9.172 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 8.674 -4.711 -7.373 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 10.233 -4.076 -7.149 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 8.939 -3.497 -6.215 1.00 1.00 H new ATOM 526 N ALA A 32 12.161 2.870 -5.922 1.00 1.00 N ATOM 527 CA ALA A 32 13.261 3.829 -5.869 1.00 1.00 C ATOM 528 C ALA A 32 13.163 4.699 -4.618 1.00 1.00 C ATOM 529 O ALA A 32 13.927 5.648 -4.453 1.00 1.00 O ATOM 530 CB ALA A 32 13.240 4.722 -7.109 1.00 1.00 C ATOM 0 H ALA A 32 11.361 3.172 -6.479 1.00 1.00 H new ATOM 0 HA ALA A 32 14.196 3.270 -5.837 1.00 1.00 H new ATOM 0 HB1 ALA A 32 14.064 5.433 -7.059 1.00 1.00 H new ATOM 0 HB2 ALA A 32 13.345 4.107 -8.002 1.00 1.00 H new ATOM 0 HB3 ALA A 32 12.295 5.264 -7.151 1.00 1.00 H new ATOM 536 N LEU A 33 12.217 4.367 -3.737 1.00 1.00 N ATOM 537 CA LEU A 33 12.023 5.123 -2.499 1.00 1.00 C ATOM 538 C LEU A 33 11.585 4.183 -1.385 1.00 1.00 C ATOM 539 O LEU A 33 10.394 4.058 -1.099 1.00 1.00 O ATOM 540 CB LEU A 33 10.957 6.204 -2.711 1.00 1.00 C ATOM 541 CG LEU A 33 10.825 7.080 -1.455 1.00 1.00 C ATOM 542 CD1 LEU A 33 12.135 7.850 -1.199 1.00 1.00 C ATOM 543 CD2 LEU A 33 9.677 8.072 -1.668 1.00 1.00 C ATOM 0 H LEU A 33 11.576 3.583 -3.857 1.00 1.00 H new ATOM 0 HA LEU A 33 12.964 5.597 -2.220 1.00 1.00 H new ATOM 0 HB2 LEU A 33 11.223 6.823 -3.568 1.00 1.00 H new ATOM 0 HB3 LEU A 33 9.998 5.738 -2.940 1.00 1.00 H new ATOM 0 HG LEU A 33 10.621 6.448 -0.590 1.00 1.00 H new ATOM 0 HD11 LEU A 33 12.026 8.466 -0.306 1.00 1.00 H new ATOM 0 HD12 LEU A 33 12.951 7.142 -1.054 1.00 1.00 H new ATOM 0 HD13 LEU A 33 12.356 8.487 -2.055 1.00 1.00 H new ATOM 0 HD21 LEU A 33 9.571 8.701 -0.784 1.00 1.00 H new ATOM 0 HD22 LEU A 33 9.892 8.697 -2.535 1.00 1.00 H new ATOM 0 HD23 LEU A 33 8.750 7.525 -1.837 1.00 1.00 H new ATOM 555 N ASP A 34 12.552 3.519 -0.761 1.00 1.00 N ATOM 556 CA ASP A 34 12.258 2.582 0.322 1.00 1.00 C ATOM 557 C ASP A 34 12.341 3.277 1.677 1.00 1.00 C ATOM 558 O ASP A 34 12.207 2.636 2.720 1.00 1.00 O ATOM 559 CB ASP A 34 13.250 1.419 0.286 1.00 1.00 C ATOM 560 CG ASP A 34 14.679 1.952 0.258 1.00 1.00 C ATOM 561 OD1 ASP A 34 14.844 3.127 -0.026 1.00 1.00 O ATOM 562 OD2 ASP A 34 15.585 1.179 0.516 1.00 1.00 O ATOM 0 H ASP A 34 13.543 3.610 -0.984 1.00 1.00 H new ATOM 0 HA ASP A 34 11.245 2.205 0.183 1.00 1.00 H new ATOM 0 HB2 ASP A 34 13.108 0.782 1.159 1.00 1.00 H new ATOM 0 HB3 ASP A 34 13.066 0.801 -0.593 1.00 1.00 H new ATOM 567 N LEU A 35 12.576 4.591 1.658 1.00 1.00 N ATOM 568 CA LEU A 35 12.691 5.371 2.899 1.00 1.00 C ATOM 569 C LEU A 35 11.731 6.565 2.891 1.00 1.00 C ATOM 570 O LEU A 35 12.160 7.717 2.959 1.00 1.00 O ATOM 571 CB LEU A 35 14.127 5.881 3.057 1.00 1.00 C ATOM 572 CG LEU A 35 15.119 4.711 2.972 1.00 1.00 C ATOM 573 CD1 LEU A 35 16.538 5.264 2.829 1.00 1.00 C ATOM 574 CD2 LEU A 35 15.038 3.857 4.245 1.00 1.00 C ATOM 0 H LEU A 35 12.690 5.137 0.804 1.00 1.00 H new ATOM 0 HA LEU A 35 12.431 4.720 3.734 1.00 1.00 H new ATOM 0 HB2 LEU A 35 14.348 6.612 2.279 1.00 1.00 H new ATOM 0 HB3 LEU A 35 14.236 6.391 4.014 1.00 1.00 H new ATOM 0 HG LEU A 35 14.869 4.093 2.110 1.00 1.00 H new ATOM 0 HD11 LEU A 35 17.246 4.438 2.768 1.00 1.00 H new ATOM 0 HD12 LEU A 35 16.604 5.866 1.923 1.00 1.00 H new ATOM 0 HD13 LEU A 35 16.776 5.883 3.694 1.00 1.00 H new ATOM 0 HD21 LEU A 35 15.745 3.031 4.174 1.00 1.00 H new ATOM 0 HD22 LEU A 35 15.283 4.471 5.111 1.00 1.00 H new ATOM 0 HD23 LEU A 35 14.028 3.462 4.354 1.00 1.00 H new ATOM 586 N PRO A 36 10.450 6.311 2.810 1.00 1.00 N ATOM 587 CA PRO A 36 9.412 7.391 2.792 1.00 1.00 C ATOM 588 C PRO A 36 9.319 8.133 4.130 1.00 1.00 C ATOM 589 O PRO A 36 8.741 9.219 4.206 1.00 1.00 O ATOM 590 CB PRO A 36 8.108 6.639 2.461 1.00 1.00 C ATOM 591 CG PRO A 36 8.347 5.227 2.899 1.00 1.00 C ATOM 592 CD PRO A 36 9.846 4.969 2.727 1.00 1.00 C ATOM 0 HA PRO A 36 9.643 8.173 2.069 1.00 1.00 H new ATOM 0 HB2 PRO A 36 7.258 7.075 2.985 1.00 1.00 H new ATOM 0 HB3 PRO A 36 7.885 6.688 1.395 1.00 1.00 H new ATOM 0 HG2 PRO A 36 8.045 5.086 3.937 1.00 1.00 H new ATOM 0 HG3 PRO A 36 7.762 4.530 2.299 1.00 1.00 H new ATOM 0 HD2 PRO A 36 10.230 4.310 3.506 1.00 1.00 H new ATOM 0 HD3 PRO A 36 10.062 4.492 1.771 1.00 1.00 H new ATOM 600 N LYS A 37 9.883 7.544 5.178 1.00 1.00 N ATOM 601 CA LYS A 37 9.847 8.159 6.505 1.00 1.00 C ATOM 602 C LYS A 37 10.708 9.426 6.529 1.00 1.00 C ATOM 603 O LYS A 37 11.744 9.494 5.869 1.00 1.00 O ATOM 604 CB LYS A 37 10.362 7.157 7.556 1.00 1.00 C ATOM 605 CG LYS A 37 9.229 6.218 7.994 1.00 1.00 C ATOM 606 CD LYS A 37 8.774 5.367 6.806 1.00 1.00 C ATOM 607 CE LYS A 37 7.792 4.297 7.287 1.00 1.00 C ATOM 608 NZ LYS A 37 6.532 4.951 7.736 1.00 1.00 N ATOM 0 H LYS A 37 10.368 6.648 5.139 1.00 1.00 H new ATOM 0 HA LYS A 37 8.818 8.431 6.739 1.00 1.00 H new ATOM 0 HB2 LYS A 37 11.186 6.576 7.142 1.00 1.00 H new ATOM 0 HB3 LYS A 37 10.753 7.694 8.420 1.00 1.00 H new ATOM 0 HG2 LYS A 37 9.570 5.574 8.805 1.00 1.00 H new ATOM 0 HG3 LYS A 37 8.391 6.799 8.379 1.00 1.00 H new ATOM 0 HD2 LYS A 37 8.300 5.998 6.054 1.00 1.00 H new ATOM 0 HD3 LYS A 37 9.635 4.897 6.331 1.00 1.00 H new ATOM 0 HE2 LYS A 37 7.582 3.592 6.483 1.00 1.00 H new ATOM 0 HE3 LYS A 37 8.231 3.726 8.105 1.00 1.00 H new ATOM 0 HZ1 LYS A 37 5.805 4.226 7.903 1.00 1.00 H new ATOM 0 HZ2 LYS A 37 6.708 5.474 8.617 1.00 1.00 H new ATOM 0 HZ3 LYS A 37 6.202 5.610 7.002 1.00 1.00 H new ATOM 622 N GLU A 38 10.273 10.427 7.302 1.00 1.00 N ATOM 623 CA GLU A 38 11.008 11.695 7.418 1.00 1.00 C ATOM 624 C GLU A 38 11.420 11.934 8.867 1.00 1.00 C ATOM 625 O GLU A 38 11.279 13.040 9.391 1.00 1.00 O ATOM 626 CB GLU A 38 10.140 12.865 6.930 1.00 1.00 C ATOM 627 CG GLU A 38 8.714 12.739 7.483 1.00 1.00 C ATOM 628 CD GLU A 38 8.711 12.963 8.991 1.00 1.00 C ATOM 629 OE1 GLU A 38 8.911 14.093 9.403 1.00 1.00 O ATOM 630 OE2 GLU A 38 8.515 11.998 9.711 1.00 1.00 O ATOM 0 H GLU A 38 9.418 10.386 7.856 1.00 1.00 H new ATOM 0 HA GLU A 38 11.901 11.632 6.796 1.00 1.00 H new ATOM 0 HB2 GLU A 38 10.579 13.810 7.250 1.00 1.00 H new ATOM 0 HB3 GLU A 38 10.115 12.878 5.840 1.00 1.00 H new ATOM 0 HG2 GLU A 38 8.063 13.467 6.999 1.00 1.00 H new ATOM 0 HG3 GLU A 38 8.314 11.751 7.254 1.00 1.00 H new ATOM 637 N ILE A 39 11.929 10.892 9.512 1.00 1.00 N ATOM 638 CA ILE A 39 12.357 10.998 10.902 1.00 1.00 C ATOM 639 C ILE A 39 11.215 11.522 11.777 1.00 1.00 C ATOM 640 O ILE A 39 10.512 10.742 12.420 1.00 1.00 O ATOM 641 CB ILE A 39 13.564 11.932 11.013 1.00 1.00 C ATOM 642 CG1 ILE A 39 14.722 11.356 10.196 1.00 1.00 C ATOM 643 CG2 ILE A 39 13.989 12.047 12.477 1.00 1.00 C ATOM 644 CD1 ILE A 39 15.837 12.400 10.086 1.00 1.00 C ATOM 0 H ILE A 39 12.055 9.968 9.098 1.00 1.00 H new ATOM 0 HA ILE A 39 12.640 10.005 11.251 1.00 1.00 H new ATOM 0 HB ILE A 39 13.298 12.918 10.633 1.00 1.00 H new ATOM 0 HG12 ILE A 39 15.102 10.451 10.671 1.00 1.00 H new ATOM 0 HG13 ILE A 39 14.375 11.073 9.202 1.00 1.00 H new ATOM 0 HG21 ILE A 39 14.849 12.712 12.555 1.00 1.00 H new ATOM 0 HG22 ILE A 39 13.164 12.450 13.065 1.00 1.00 H new ATOM 0 HG23 ILE A 39 14.258 11.061 12.856 1.00 1.00 H new ATOM 0 HD11 ILE A 39 16.663 11.991 9.504 1.00 1.00 H new ATOM 0 HD12 ILE A 39 15.452 13.292 9.592 1.00 1.00 H new ATOM 0 HD13 ILE A 39 16.191 12.661 11.083 1.00 1.00 H new ATOM 656 N GLY A 40 11.033 12.843 11.796 1.00 1.00 N ATOM 657 CA GLY A 40 9.968 13.447 12.594 1.00 1.00 C ATOM 658 C GLY A 40 10.360 13.543 14.065 1.00 1.00 C ATOM 659 O GLY A 40 11.495 13.248 14.437 1.00 1.00 O ATOM 0 H GLY A 40 11.603 13.508 11.274 1.00 1.00 H new ATOM 0 HA2 GLY A 40 9.744 14.442 12.210 1.00 1.00 H new ATOM 0 HA3 GLY A 40 9.058 12.855 12.496 1.00 1.00 H new ATOM 663 N GLY A 41 9.408 13.958 14.903 1.00 1.00 N ATOM 664 CA GLY A 41 9.663 14.089 16.337 1.00 1.00 C ATOM 665 C GLY A 41 8.798 15.185 16.956 1.00 1.00 C ATOM 666 O GLY A 41 9.255 15.922 17.827 1.00 1.00 O ATOM 0 H GLY A 41 8.461 14.207 14.616 1.00 1.00 H new ATOM 0 HA2 GLY A 41 9.461 13.140 16.833 1.00 1.00 H new ATOM 0 HA3 GLY A 41 10.716 14.317 16.502 1.00 1.00 H new ATOM 670 N ARG A 42 7.547 15.277 16.506 1.00 1.00 N ATOM 671 CA ARG A 42 6.611 16.281 17.020 1.00 1.00 C ATOM 672 C ARG A 42 7.305 17.622 17.266 1.00 1.00 C ATOM 673 O ARG A 42 7.990 17.808 18.271 1.00 1.00 O ATOM 674 CB ARG A 42 5.971 15.782 18.320 1.00 1.00 C ATOM 675 CG ARG A 42 4.919 16.789 18.798 1.00 1.00 C ATOM 676 CD ARG A 42 4.237 16.258 20.062 1.00 1.00 C ATOM 677 NE ARG A 42 3.130 17.127 20.446 1.00 1.00 N ATOM 678 CZ ARG A 42 2.540 17.008 21.630 1.00 1.00 C ATOM 679 NH1 ARG A 42 2.938 16.093 22.474 1.00 1.00 N ATOM 680 NH2 ARG A 42 1.558 17.803 21.950 1.00 1.00 N ATOM 0 H ARG A 42 7.156 14.669 15.786 1.00 1.00 H new ATOM 0 HA ARG A 42 5.839 16.434 16.266 1.00 1.00 H new ATOM 0 HB2 ARG A 42 5.509 14.808 18.159 1.00 1.00 H new ATOM 0 HB3 ARG A 42 6.736 15.649 19.085 1.00 1.00 H new ATOM 0 HG2 ARG A 42 5.388 17.751 19.003 1.00 1.00 H new ATOM 0 HG3 ARG A 42 4.179 16.956 18.016 1.00 1.00 H new ATOM 0 HD2 ARG A 42 3.870 15.247 19.887 1.00 1.00 H new ATOM 0 HD3 ARG A 42 4.960 16.199 20.875 1.00 1.00 H new ATOM 0 HE ARG A 42 2.803 17.839 19.793 1.00 1.00 H new ATOM 0 HH11 ARG A 42 3.704 15.467 22.224 1.00 1.00 H new ATOM 0 HH12 ARG A 42 2.483 16.004 23.382 1.00 1.00 H new ATOM 0 HH21 ARG A 42 1.243 18.516 21.291 1.00 1.00 H new ATOM 0 HH22 ARG A 42 1.104 17.713 22.859 1.00 1.00 H new ATOM 694 N ASN A 43 7.110 18.557 16.344 1.00 1.00 N ATOM 695 CA ASN A 43 7.715 19.877 16.474 1.00 1.00 C ATOM 696 C ASN A 43 7.103 20.638 17.648 1.00 1.00 C ATOM 697 O ASN A 43 5.897 20.891 17.677 1.00 1.00 O ATOM 698 CB ASN A 43 7.503 20.672 15.186 1.00 1.00 C ATOM 699 CG ASN A 43 8.362 20.091 14.069 1.00 1.00 C ATOM 700 OD1 ASN A 43 9.331 19.378 14.333 1.00 1.00 O ATOM 701 ND2 ASN A 43 8.060 20.352 12.826 1.00 1.00 N ATOM 0 H ASN A 43 6.543 18.428 15.506 1.00 1.00 H new ATOM 0 HA ASN A 43 8.782 19.751 16.656 1.00 1.00 H new ATOM 0 HB2 ASN A 43 6.452 20.644 14.900 1.00 1.00 H new ATOM 0 HB3 ASN A 43 7.761 21.719 15.348 1.00 1.00 H new ATOM 0 HD21 ASN A 43 8.627 19.965 12.071 1.00 1.00 H new ATOM 0 HD22 ASN A 43 7.257 20.943 12.609 1.00 1.00 H new ATOM 708 N GLY A 44 7.941 20.998 18.619 1.00 1.00 N ATOM 709 CA GLY A 44 7.474 21.728 19.797 1.00 1.00 C ATOM 710 C GLY A 44 7.519 23.237 19.561 1.00 1.00 C ATOM 711 O GLY A 44 7.603 23.694 18.420 1.00 1.00 O ATOM 0 H GLY A 44 8.941 20.798 18.614 1.00 1.00 H new ATOM 0 HA2 GLY A 44 6.455 21.424 20.037 1.00 1.00 H new ATOM 0 HA3 GLY A 44 8.093 21.472 20.657 1.00 1.00 H new ATOM 715 N PRO A 45 7.469 24.010 20.616 1.00 1.00 N ATOM 716 CA PRO A 45 7.507 25.503 20.531 1.00 1.00 C ATOM 717 C PRO A 45 8.628 26.005 19.621 1.00 1.00 C ATOM 718 O PRO A 45 9.473 25.228 19.174 1.00 1.00 O ATOM 719 CB PRO A 45 7.722 25.938 21.986 1.00 1.00 C ATOM 720 CG PRO A 45 7.125 24.838 22.804 1.00 1.00 C ATOM 721 CD PRO A 45 7.364 23.549 22.012 1.00 1.00 C ATOM 0 HA PRO A 45 6.599 25.916 20.092 1.00 1.00 H new ATOM 0 HB2 PRO A 45 8.781 26.066 22.208 1.00 1.00 H new ATOM 0 HB3 PRO A 45 7.236 26.892 22.190 1.00 1.00 H new ATOM 0 HG2 PRO A 45 7.592 24.785 23.787 1.00 1.00 H new ATOM 0 HG3 PRO A 45 6.060 25.005 22.966 1.00 1.00 H new ATOM 0 HD2 PRO A 45 8.273 23.043 22.336 1.00 1.00 H new ATOM 0 HD3 PRO A 45 6.544 22.843 22.140 1.00 1.00 H new ATOM 729 N GLU A 46 8.608 27.311 19.333 1.00 1.00 N ATOM 730 CA GLU A 46 9.609 27.934 18.455 1.00 1.00 C ATOM 731 C GLU A 46 10.438 28.970 19.217 1.00 1.00 C ATOM 732 O GLU A 46 10.124 30.160 19.191 1.00 1.00 O ATOM 733 CB GLU A 46 8.895 28.630 17.299 1.00 1.00 C ATOM 734 CG GLU A 46 9.915 29.008 16.222 1.00 1.00 C ATOM 735 CD GLU A 46 10.361 27.758 15.474 1.00 1.00 C ATOM 736 OE1 GLU A 46 11.321 27.144 15.908 1.00 1.00 O ATOM 737 OE2 GLU A 46 9.733 27.431 14.482 1.00 1.00 O ATOM 0 H GLU A 46 7.909 27.959 19.695 1.00 1.00 H new ATOM 0 HA GLU A 46 10.275 27.155 18.084 1.00 1.00 H new ATOM 0 HB2 GLU A 46 8.134 27.972 16.879 1.00 1.00 H new ATOM 0 HB3 GLU A 46 8.382 29.522 17.659 1.00 1.00 H new ATOM 0 HG2 GLU A 46 9.475 29.722 15.526 1.00 1.00 H new ATOM 0 HG3 GLU A 46 10.776 29.497 16.679 1.00 1.00 H new ATOM 744 N PRO A 47 11.483 28.553 19.886 1.00 1.00 N ATOM 745 CA PRO A 47 12.367 29.480 20.661 1.00 1.00 C ATOM 746 C PRO A 47 12.876 30.654 19.815 1.00 1.00 C ATOM 747 O PRO A 47 12.284 31.004 18.795 1.00 1.00 O ATOM 748 CB PRO A 47 13.525 28.581 21.122 1.00 1.00 C ATOM 749 CG PRO A 47 12.958 27.198 21.129 1.00 1.00 C ATOM 750 CD PRO A 47 11.938 27.158 19.991 1.00 1.00 C ATOM 0 HA PRO A 47 11.835 29.952 21.487 1.00 1.00 H new ATOM 0 HB2 PRO A 47 14.377 28.656 20.446 1.00 1.00 H new ATOM 0 HB3 PRO A 47 13.878 28.868 22.112 1.00 1.00 H new ATOM 0 HG2 PRO A 47 13.740 26.454 20.979 1.00 1.00 H new ATOM 0 HG3 PRO A 47 12.485 26.974 22.085 1.00 1.00 H new ATOM 0 HD2 PRO A 47 12.388 26.812 19.061 1.00 1.00 H new ATOM 0 HD3 PRO A 47 11.112 26.483 20.216 1.00 1.00 H new ATOM 758 N VAL A 48 13.974 31.262 20.257 1.00 1.00 N ATOM 759 CA VAL A 48 14.546 32.403 19.545 1.00 1.00 C ATOM 760 C VAL A 48 14.839 32.047 18.089 1.00 1.00 C ATOM 761 O VAL A 48 15.422 31.004 17.796 1.00 1.00 O ATOM 762 CB VAL A 48 15.841 32.849 20.237 1.00 1.00 C ATOM 763 CG1 VAL A 48 16.926 31.788 20.035 1.00 1.00 C ATOM 764 CG2 VAL A 48 16.307 34.180 19.636 1.00 1.00 C ATOM 0 H VAL A 48 14.482 30.987 21.098 1.00 1.00 H new ATOM 0 HA VAL A 48 13.821 33.217 19.562 1.00 1.00 H new ATOM 0 HB VAL A 48 15.656 32.975 21.304 1.00 1.00 H new ATOM 0 HG11 VAL A 48 17.844 32.108 20.528 1.00 1.00 H new ATOM 0 HG12 VAL A 48 16.595 30.842 20.464 1.00 1.00 H new ATOM 0 HG13 VAL A 48 17.113 31.657 18.969 1.00 1.00 H new ATOM 0 HG21 VAL A 48 17.227 34.498 20.126 1.00 1.00 H new ATOM 0 HG22 VAL A 48 16.490 34.053 18.569 1.00 1.00 H new ATOM 0 HG23 VAL A 48 15.536 34.936 19.785 1.00 1.00 H new ATOM 774 N ARG A 49 14.424 32.929 17.176 1.00 1.00 N ATOM 775 CA ARG A 49 14.640 32.710 15.743 1.00 1.00 C ATOM 776 C ARG A 49 15.094 33.997 15.057 1.00 1.00 C ATOM 777 O ARG A 49 15.136 34.069 13.828 1.00 1.00 O ATOM 778 CB ARG A 49 13.352 32.199 15.094 1.00 1.00 C ATOM 779 CG ARG A 49 12.245 33.249 15.216 1.00 1.00 C ATOM 780 CD ARG A 49 10.962 32.697 14.591 1.00 1.00 C ATOM 781 NE ARG A 49 9.893 33.690 14.666 1.00 1.00 N ATOM 782 CZ ARG A 49 9.073 33.751 15.713 1.00 1.00 C ATOM 783 NH1 ARG A 49 9.198 32.901 16.697 1.00 1.00 N ATOM 784 NH2 ARG A 49 8.137 34.657 15.755 1.00 1.00 N ATOM 0 H ARG A 49 13.939 33.797 17.402 1.00 1.00 H new ATOM 0 HA ARG A 49 15.425 31.963 15.624 1.00 1.00 H new ATOM 0 HB2 ARG A 49 13.532 31.970 14.044 1.00 1.00 H new ATOM 0 HB3 ARG A 49 13.038 31.272 15.573 1.00 1.00 H new ATOM 0 HG2 ARG A 49 12.076 33.498 16.264 1.00 1.00 H new ATOM 0 HG3 ARG A 49 12.542 34.169 14.714 1.00 1.00 H new ATOM 0 HD2 ARG A 49 11.144 32.426 13.551 1.00 1.00 H new ATOM 0 HD3 ARG A 49 10.659 31.787 15.109 1.00 1.00 H new ATOM 0 HE ARG A 49 9.772 34.351 13.899 1.00 1.00 H new ATOM 0 HH11 ARG A 49 9.926 32.187 16.665 1.00 1.00 H new ATOM 0 HH12 ARG A 49 8.568 32.951 17.497 1.00 1.00 H new ATOM 0 HH21 ARG A 49 8.033 35.319 14.986 1.00 1.00 H new ATOM 0 HH22 ARG A 49 7.508 34.704 16.557 1.00 1.00 H new ATOM 798 N PHE A 50 15.430 35.011 15.854 1.00 1.00 N ATOM 799 CA PHE A 50 15.880 36.300 15.316 1.00 1.00 C ATOM 800 C PHE A 50 17.398 36.429 15.429 1.00 1.00 C ATOM 801 O PHE A 50 17.967 36.224 16.501 1.00 1.00 O ATOM 802 CB PHE A 50 15.218 37.447 16.085 1.00 1.00 C ATOM 803 CG PHE A 50 13.759 37.545 15.699 1.00 1.00 C ATOM 804 CD1 PHE A 50 13.379 38.275 14.565 1.00 1.00 C ATOM 805 CD2 PHE A 50 12.786 36.905 16.476 1.00 1.00 C ATOM 806 CE1 PHE A 50 12.029 38.364 14.210 1.00 1.00 C ATOM 807 CE2 PHE A 50 11.435 36.994 16.121 1.00 1.00 C ATOM 808 CZ PHE A 50 11.056 37.723 14.988 1.00 1.00 C ATOM 0 H PHE A 50 15.400 34.968 16.873 1.00 1.00 H new ATOM 0 HA PHE A 50 15.596 36.350 14.265 1.00 1.00 H new ATOM 0 HB2 PHE A 50 15.310 37.279 17.158 1.00 1.00 H new ATOM 0 HB3 PHE A 50 15.726 38.386 15.865 1.00 1.00 H new ATOM 0 HD1 PHE A 50 14.129 38.769 13.965 1.00 1.00 H new ATOM 0 HD2 PHE A 50 13.078 36.342 17.350 1.00 1.00 H new ATOM 0 HE1 PHE A 50 11.737 38.927 13.336 1.00 1.00 H new ATOM 0 HE2 PHE A 50 10.685 36.500 16.721 1.00 1.00 H new ATOM 0 HZ PHE A 50 10.014 37.791 14.713 1.00 1.00 H new ATOM 818 N GLY A 51 18.049 36.771 14.318 1.00 1.00 N ATOM 819 CA GLY A 51 19.505 36.928 14.306 1.00 1.00 C ATOM 820 C GLY A 51 19.928 38.010 13.316 1.00 1.00 C ATOM 821 O GLY A 51 19.800 37.839 12.103 1.00 1.00 O ATOM 0 H GLY A 51 17.597 36.944 13.420 1.00 1.00 H new ATOM 0 HA2 GLY A 51 19.855 37.187 15.305 1.00 1.00 H new ATOM 0 HA3 GLY A 51 19.975 35.981 14.039 1.00 1.00 H new ATOM 825 N ASP A 52 20.430 39.124 13.843 1.00 1.00 N ATOM 826 CA ASP A 52 20.864 40.237 13.002 1.00 1.00 C ATOM 827 C ASP A 52 22.283 40.012 12.485 1.00 1.00 C ATOM 828 O ASP A 52 22.997 39.130 12.963 1.00 1.00 O ATOM 829 CB ASP A 52 20.810 41.537 13.804 1.00 1.00 C ATOM 830 CG ASP A 52 19.358 41.943 14.040 1.00 1.00 C ATOM 831 OD1 ASP A 52 18.488 41.137 13.757 1.00 1.00 O ATOM 832 OD2 ASP A 52 19.141 43.053 14.495 1.00 1.00 O ATOM 0 H ASP A 52 20.546 39.280 14.844 1.00 1.00 H new ATOM 0 HA ASP A 52 20.193 40.303 12.146 1.00 1.00 H new ATOM 0 HB2 ASP A 52 21.320 41.407 14.759 1.00 1.00 H new ATOM 0 HB3 ASP A 52 21.335 42.327 13.267 1.00 1.00 H new ATOM 837 N TRP A 53 22.681 40.816 11.503 1.00 1.00 N ATOM 838 CA TRP A 53 24.013 40.699 10.922 1.00 1.00 C ATOM 839 C TRP A 53 25.078 41.176 11.907 1.00 1.00 C ATOM 840 O TRP A 53 24.767 41.732 12.961 1.00 1.00 O ATOM 841 CB TRP A 53 24.092 41.509 9.617 1.00 1.00 C ATOM 842 CG TRP A 53 23.275 42.758 9.744 1.00 1.00 C ATOM 843 CD1 TRP A 53 23.319 43.614 10.791 1.00 1.00 C ATOM 844 CD2 TRP A 53 22.298 43.309 8.807 1.00 1.00 C ATOM 845 NE1 TRP A 53 22.430 44.647 10.561 1.00 1.00 N ATOM 846 CE2 TRP A 53 21.780 44.506 9.355 1.00 1.00 C ATOM 847 CE3 TRP A 53 21.816 42.893 7.551 1.00 1.00 C ATOM 848 CZ2 TRP A 53 20.815 45.264 8.684 1.00 1.00 C ATOM 849 CZ3 TRP A 53 20.846 43.654 6.872 1.00 1.00 C ATOM 850 CH2 TRP A 53 20.347 44.835 7.440 1.00 1.00 C ATOM 0 H TRP A 53 22.103 41.551 11.095 1.00 1.00 H new ATOM 0 HA TRP A 53 24.201 39.649 10.699 1.00 1.00 H new ATOM 0 HB2 TRP A 53 25.129 41.763 9.398 1.00 1.00 H new ATOM 0 HB3 TRP A 53 23.728 40.909 8.783 1.00 1.00 H new ATOM 0 HD1 TRP A 53 23.946 43.507 11.664 1.00 1.00 H new ATOM 0 HE1 TRP A 53 22.274 45.421 11.207 1.00 1.00 H new ATOM 0 HE3 TRP A 53 22.193 41.984 7.106 1.00 1.00 H new ATOM 0 HZ2 TRP A 53 20.435 46.174 9.124 1.00 1.00 H new ATOM 0 HZ3 TRP A 53 20.484 43.327 5.909 1.00 1.00 H new ATOM 0 HH2 TRP A 53 19.601 45.413 6.915 1.00 1.00 H new ATOM 861 N GLU A 54 26.334 40.944 11.552 1.00 1.00 N ATOM 862 CA GLU A 54 27.451 41.343 12.402 1.00 1.00 C ATOM 863 C GLU A 54 27.554 42.869 12.484 1.00 1.00 C ATOM 864 O GLU A 54 26.742 43.524 13.140 1.00 1.00 O ATOM 865 CB GLU A 54 28.759 40.752 11.852 1.00 1.00 C ATOM 866 CG GLU A 54 28.767 40.848 10.320 1.00 1.00 C ATOM 867 CD GLU A 54 30.174 40.598 9.786 1.00 1.00 C ATOM 868 OE1 GLU A 54 30.859 39.757 10.341 1.00 1.00 O ATOM 869 OE2 GLU A 54 30.547 41.255 8.826 1.00 1.00 O ATOM 0 H GLU A 54 26.606 40.483 10.684 1.00 1.00 H new ATOM 0 HA GLU A 54 27.278 40.959 13.407 1.00 1.00 H new ATOM 0 HB2 GLU A 54 29.613 41.289 12.264 1.00 1.00 H new ATOM 0 HB3 GLU A 54 28.857 39.711 12.161 1.00 1.00 H new ATOM 0 HG2 GLU A 54 28.075 40.119 9.899 1.00 1.00 H new ATOM 0 HG3 GLU A 54 28.421 41.833 10.008 1.00 1.00 H new ATOM 876 N LYS A 55 28.556 43.423 11.815 1.00 1.00 N ATOM 877 CA LYS A 55 28.773 44.869 11.808 1.00 1.00 C ATOM 878 C LYS A 55 28.700 45.453 13.220 1.00 1.00 C ATOM 879 O LYS A 55 28.368 46.625 13.398 1.00 1.00 O ATOM 880 CB LYS A 55 27.723 45.547 10.911 1.00 1.00 C ATOM 881 CG LYS A 55 28.257 46.895 10.403 1.00 1.00 C ATOM 882 CD LYS A 55 27.262 47.501 9.412 1.00 1.00 C ATOM 883 CE LYS A 55 27.768 48.871 8.955 1.00 1.00 C ATOM 884 NZ LYS A 55 29.037 48.698 8.191 1.00 1.00 N ATOM 0 H LYS A 55 29.235 42.894 11.268 1.00 1.00 H new ATOM 0 HA LYS A 55 29.772 45.058 11.416 1.00 1.00 H new ATOM 0 HB2 LYS A 55 27.482 44.901 10.067 1.00 1.00 H new ATOM 0 HB3 LYS A 55 26.800 45.700 11.470 1.00 1.00 H new ATOM 0 HG2 LYS A 55 28.411 47.575 11.241 1.00 1.00 H new ATOM 0 HG3 LYS A 55 29.225 46.756 9.922 1.00 1.00 H new ATOM 0 HD2 LYS A 55 27.140 46.841 8.553 1.00 1.00 H new ATOM 0 HD3 LYS A 55 26.282 47.600 9.879 1.00 1.00 H new ATOM 0 HE2 LYS A 55 27.019 49.359 8.332 1.00 1.00 H new ATOM 0 HE3 LYS A 55 27.934 49.516 9.818 1.00 1.00 H new ATOM 0 HZ1 LYS A 55 29.223 49.553 7.629 1.00 1.00 H new ATOM 0 HZ2 LYS A 55 29.823 48.542 8.854 1.00 1.00 H new ATOM 0 HZ3 LYS A 55 28.951 47.878 7.557 1.00 1.00 H new ATOM 898 N LYS A 56 29.024 44.638 14.222 1.00 1.00 N ATOM 899 CA LYS A 56 29.002 45.092 15.616 1.00 1.00 C ATOM 900 C LYS A 56 30.179 44.503 16.386 1.00 1.00 C ATOM 901 O LYS A 56 30.719 43.462 16.012 1.00 1.00 O ATOM 902 CB LYS A 56 27.692 44.687 16.295 1.00 1.00 C ATOM 903 CG LYS A 56 26.534 45.501 15.705 1.00 1.00 C ATOM 904 CD LYS A 56 25.200 45.020 16.294 1.00 1.00 C ATOM 905 CE LYS A 56 25.006 45.584 17.707 1.00 1.00 C ATOM 906 NZ LYS A 56 23.611 45.311 18.156 1.00 1.00 N ATOM 0 H LYS A 56 29.304 43.665 14.099 1.00 1.00 H new ATOM 0 HA LYS A 56 29.080 46.179 15.618 1.00 1.00 H new ATOM 0 HB2 LYS A 56 27.511 43.622 16.152 1.00 1.00 H new ATOM 0 HB3 LYS A 56 27.760 44.858 17.369 1.00 1.00 H new ATOM 0 HG2 LYS A 56 26.676 46.560 15.921 1.00 1.00 H new ATOM 0 HG3 LYS A 56 26.521 45.396 14.620 1.00 1.00 H new ATOM 0 HD2 LYS A 56 24.377 45.336 15.653 1.00 1.00 H new ATOM 0 HD3 LYS A 56 25.180 43.931 16.324 1.00 1.00 H new ATOM 0 HE2 LYS A 56 25.718 45.128 18.395 1.00 1.00 H new ATOM 0 HE3 LYS A 56 25.200 46.657 17.713 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 23.474 45.692 19.114 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 22.941 45.766 17.504 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 23.443 44.285 18.164 1.00 1.00 H new ATOM 920 N GLY A 57 30.573 45.176 17.464 1.00 1.00 N ATOM 921 CA GLY A 57 31.689 44.714 18.285 1.00 1.00 C ATOM 922 C GLY A 57 32.984 45.405 17.875 1.00 1.00 C ATOM 923 O GLY A 57 32.975 46.577 17.498 1.00 1.00 O ATOM 0 H GLY A 57 30.138 46.040 17.789 1.00 1.00 H new ATOM 0 HA2 GLY A 57 31.481 44.915 19.336 1.00 1.00 H new ATOM 0 HA3 GLY A 57 31.799 43.634 18.183 1.00 1.00 H new ATOM 927 N ILE A 58 34.095 44.677 17.963 1.00 1.00 N ATOM 928 CA ILE A 58 35.399 45.233 17.607 1.00 1.00 C ATOM 929 C ILE A 58 35.704 46.484 18.435 1.00 1.00 C ATOM 930 O ILE A 58 36.783 47.066 18.322 1.00 1.00 O ATOM 931 CB ILE A 58 35.426 45.576 16.110 1.00 1.00 C ATOM 932 CG1 ILE A 58 35.223 44.293 15.299 1.00 1.00 C ATOM 933 CG2 ILE A 58 36.777 46.208 15.742 1.00 1.00 C ATOM 934 CD1 ILE A 58 34.952 44.650 13.836 1.00 1.00 C ATOM 0 H ILE A 58 34.119 43.706 18.276 1.00 1.00 H new ATOM 0 HA ILE A 58 36.163 44.486 17.822 1.00 1.00 H new ATOM 0 HB ILE A 58 34.630 46.286 15.886 1.00 1.00 H new ATOM 0 HG12 ILE A 58 36.108 43.661 15.372 1.00 1.00 H new ATOM 0 HG13 ILE A 58 34.388 43.722 15.705 1.00 1.00 H new ATOM 0 HG21 ILE A 58 36.789 46.448 14.679 1.00 1.00 H new ATOM 0 HG22 ILE A 58 36.922 47.119 16.322 1.00 1.00 H new ATOM 0 HG23 ILE A 58 37.580 45.505 15.964 1.00 1.00 H new ATOM 0 HD11 ILE A 58 34.808 43.736 13.259 1.00 1.00 H new ATOM 0 HD12 ILE A 58 34.055 45.265 13.772 1.00 1.00 H new ATOM 0 HD13 ILE A 58 35.801 45.203 13.433 1.00 1.00 H new ATOM 946 N ALA A 59 34.752 46.891 19.274 1.00 1.00 N ATOM 947 CA ALA A 59 34.932 48.072 20.117 1.00 1.00 C ATOM 948 C ALA A 59 34.109 47.950 21.397 1.00 1.00 C ATOM 949 O ALA A 59 33.987 48.914 22.152 1.00 1.00 O ATOM 950 CB ALA A 59 34.497 49.324 19.353 1.00 1.00 C ATOM 0 H ALA A 59 33.853 46.423 19.388 1.00 1.00 H new ATOM 0 HA ALA A 59 35.987 48.149 20.382 1.00 1.00 H new ATOM 0 HB1 ALA A 59 34.633 50.202 19.985 1.00 1.00 H new ATOM 0 HB2 ALA A 59 35.101 49.429 18.452 1.00 1.00 H new ATOM 0 HB3 ALA A 59 33.446 49.235 19.077 1.00 1.00 H new ATOM 956 N ILE A 60 33.555 46.758 21.634 1.00 1.00 N ATOM 957 CA ILE A 60 32.740 46.501 22.826 1.00 1.00 C ATOM 958 C ILE A 60 31.979 47.750 23.268 1.00 1.00 C ATOM 959 O ILE A 60 32.061 48.172 24.423 1.00 1.00 O ATOM 960 CB ILE A 60 33.631 45.997 23.965 1.00 1.00 C ATOM 961 CG1 ILE A 60 34.782 46.983 24.201 1.00 1.00 C ATOM 962 CG2 ILE A 60 34.204 44.632 23.583 1.00 1.00 C ATOM 963 CD1 ILE A 60 35.522 46.609 25.488 1.00 1.00 C ATOM 0 H ILE A 60 33.656 45.954 21.015 1.00 1.00 H new ATOM 0 HA ILE A 60 32.004 45.738 22.573 1.00 1.00 H new ATOM 0 HB ILE A 60 33.041 45.911 24.877 1.00 1.00 H new ATOM 0 HG12 ILE A 60 35.470 46.964 23.355 1.00 1.00 H new ATOM 0 HG13 ILE A 60 34.395 47.999 24.274 1.00 1.00 H new ATOM 0 HG21 ILE A 60 34.840 44.266 24.389 1.00 1.00 H new ATOM 0 HG22 ILE A 60 33.388 43.929 23.416 1.00 1.00 H new ATOM 0 HG23 ILE A 60 34.793 44.727 22.671 1.00 1.00 H new ATOM 0 HD11 ILE A 60 36.340 47.310 25.655 1.00 1.00 H new ATOM 0 HD12 ILE A 60 34.831 46.650 26.330 1.00 1.00 H new ATOM 0 HD13 ILE A 60 35.923 45.599 25.397 1.00 1.00 H new ATOM 975 N ASP A 61 31.240 48.336 22.333 1.00 1.00 N ATOM 976 CA ASP A 61 30.468 49.540 22.619 1.00 1.00 C ATOM 977 C ASP A 61 29.370 49.252 23.636 1.00 1.00 C ATOM 978 O ASP A 61 28.758 48.183 23.622 1.00 1.00 O ATOM 979 CB ASP A 61 29.840 50.070 21.330 1.00 1.00 C ATOM 980 CG ASP A 61 30.925 50.624 20.412 1.00 1.00 C ATOM 981 OD1 ASP A 61 32.053 50.734 20.864 1.00 1.00 O ATOM 982 OD2 ASP A 61 30.613 50.925 19.272 1.00 1.00 O ATOM 0 H ASP A 61 31.159 47.999 21.374 1.00 1.00 H new ATOM 0 HA ASP A 61 31.142 50.288 23.036 1.00 1.00 H new ATOM 0 HB2 ASP A 61 29.297 49.271 20.825 1.00 1.00 H new ATOM 0 HB3 ASP A 61 29.115 50.850 21.563 1.00 1.00 H new ATOM 987 N PHE A 62 29.131 50.214 24.520 1.00 1.00 N ATOM 988 CA PHE A 62 28.108 50.060 25.549 1.00 1.00 C ATOM 989 C PHE A 62 27.914 51.370 26.307 1.00 1.00 C ATOM 990 O PHE A 62 26.785 51.663 26.666 1.00 1.00 O ATOM 991 CB PHE A 62 28.519 48.954 26.522 1.00 1.00 C ATOM 992 CG PHE A 62 27.487 48.820 27.620 1.00 1.00 C ATOM 993 CD1 PHE A 62 26.274 48.167 27.366 1.00 1.00 C ATOM 994 CD2 PHE A 62 27.746 49.343 28.894 1.00 1.00 C ATOM 995 CE1 PHE A 62 25.321 48.035 28.385 1.00 1.00 C ATOM 996 CE2 PHE A 62 26.793 49.211 29.912 1.00 1.00 C ATOM 997 CZ PHE A 62 25.582 48.559 29.657 1.00 1.00 C ATOM 0 H PHE A 62 29.628 51.104 24.546 1.00 1.00 H new ATOM 0 HA PHE A 62 27.166 49.791 25.071 1.00 1.00 H new ATOM 0 HB2 PHE A 62 28.620 48.009 25.989 1.00 1.00 H new ATOM 0 HB3 PHE A 62 29.494 49.182 26.954 1.00 1.00 H new ATOM 0 HD1 PHE A 62 26.073 47.765 26.384 1.00 1.00 H new ATOM 0 HD2 PHE A 62 28.680 49.848 29.091 1.00 1.00 H new ATOM 0 HE1 PHE A 62 24.387 47.530 28.189 1.00 1.00 H new ATOM 0 HE2 PHE A 62 26.993 49.613 30.894 1.00 1.00 H new ATOM 0 HZ PHE A 62 24.847 48.460 30.442 1.00 1.00 H new TER 1007 PHE A 62