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+ -127:sc= -0.0253 (180deg=-0.38) USER MOD Single : A 4 MET CE :methyl 156:sc= -0.194 (180deg=-1.16) USER MOD Single : A 5 THR OG1 : rot 180:sc=-0.00848 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0213) USER MOD Single : A 37 LYS NZ :NH3+ 135:sc= -1.66! (180deg=-2.25!) USER MOD Single : A 43 ASN : amide:sc= -1.71 K(o=-1.7,f=-4.4!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 164:sc=-0.000201 (180deg=-0.0967) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -29.037 -20.108 -18.586 1.00 1.00 N ATOM 2 CA MET A 1 -28.886 -20.056 -20.064 1.00 1.00 C ATOM 3 C MET A 1 -27.396 -20.095 -20.396 1.00 1.00 C ATOM 4 O MET A 1 -26.577 -19.543 -19.661 1.00 1.00 O ATOM 5 CB MET A 1 -29.520 -18.759 -20.585 1.00 1.00 C ATOM 6 CG MET A 1 -31.039 -18.811 -20.397 1.00 1.00 C ATOM 7 SD MET A 1 -31.776 -17.265 -20.985 1.00 1.00 S ATOM 8 CE MET A 1 -33.449 -17.543 -20.349 1.00 1.00 C ATOM 0 H1 MET A 1 -29.686 -20.879 -18.330 1.00 1.00 H new ATOM 0 H2 MET A 1 -28.109 -20.277 -18.148 1.00 1.00 H new ATOM 0 H3 MET A 1 -29.422 -19.204 -18.244 1.00 1.00 H new ATOM 0 HA MET A 1 -29.384 -20.903 -20.536 1.00 1.00 H new ATOM 0 HB2 MET A 1 -29.108 -17.902 -20.052 1.00 1.00 H new ATOM 0 HB3 MET A 1 -29.279 -18.624 -21.640 1.00 1.00 H new ATOM 0 HG2 MET A 1 -31.455 -19.656 -20.946 1.00 1.00 H new ATOM 0 HG3 MET A 1 -31.281 -18.964 -19.345 1.00 1.00 H new ATOM 0 HE1 MET A 1 -34.082 -16.693 -20.605 1.00 1.00 H new ATOM 0 HE2 MET A 1 -33.861 -18.449 -20.793 1.00 1.00 H new ATOM 0 HE3 MET A 1 -33.412 -17.654 -19.265 1.00 1.00 H new ATOM 20 N ARG A 2 -27.039 -20.744 -21.504 1.00 1.00 N ATOM 21 CA ARG A 2 -25.635 -20.837 -21.912 1.00 1.00 C ATOM 22 C ARG A 2 -25.530 -20.799 -23.426 1.00 1.00 C ATOM 23 O ARG A 2 -26.343 -21.394 -24.132 1.00 1.00 O ATOM 24 CB ARG A 2 -25.007 -22.128 -21.372 1.00 1.00 C ATOM 25 CG ARG A 2 -25.748 -23.337 -21.944 1.00 1.00 C ATOM 26 CD ARG A 2 -25.178 -24.625 -21.348 1.00 1.00 C ATOM 27 NE ARG A 2 -23.791 -24.797 -21.752 1.00 1.00 N ATOM 28 CZ ARG A 2 -23.477 -25.327 -22.932 1.00 1.00 C ATOM 29 NH1 ARG A 2 -24.422 -25.725 -23.745 1.00 1.00 N ATOM 30 NH2 ARG A 2 -22.226 -25.449 -23.280 1.00 1.00 N ATOM 0 H ARG A 2 -27.695 -21.210 -22.131 1.00 1.00 H new ATOM 0 HA ARG A 2 -25.093 -19.987 -21.498 1.00 1.00 H new ATOM 0 HB2 ARG A 2 -23.952 -22.173 -21.644 1.00 1.00 H new ATOM 0 HB3 ARG A 2 -25.056 -22.140 -20.283 1.00 1.00 H new ATOM 0 HG2 ARG A 2 -26.812 -23.262 -21.720 1.00 1.00 H new ATOM 0 HG3 ARG A 2 -25.651 -23.354 -23.030 1.00 1.00 H new ATOM 0 HD2 ARG A 2 -25.246 -24.592 -20.261 1.00 1.00 H new ATOM 0 HD3 ARG A 2 -25.769 -25.479 -21.678 1.00 1.00 H new ATOM 0 HE ARG A 2 -23.046 -24.506 -21.119 1.00 1.00 H new ATOM 0 HH11 ARG A 2 -25.401 -25.629 -23.475 1.00 1.00 H new ATOM 0 HH12 ARG A 2 -24.180 -26.131 -24.649 1.00 1.00 H new ATOM 0 HH21 ARG A 2 -21.488 -25.138 -22.648 1.00 1.00 H new ATOM 0 HH22 ARG A 2 -21.985 -25.855 -24.184 1.00 1.00 H new ATOM 44 N ASP A 3 -24.528 -20.079 -23.924 1.00 1.00 N ATOM 45 CA ASP A 3 -24.322 -19.942 -25.364 1.00 1.00 C ATOM 46 C ASP A 3 -23.261 -20.929 -25.862 1.00 1.00 C ATOM 47 O ASP A 3 -22.070 -20.766 -25.590 1.00 1.00 O ATOM 48 CB ASP A 3 -23.900 -18.501 -25.664 1.00 1.00 C ATOM 49 CG ASP A 3 -25.095 -17.564 -25.485 1.00 1.00 C ATOM 50 OD1 ASP A 3 -26.210 -18.057 -25.431 1.00 1.00 O ATOM 51 OD2 ASP A 3 -24.878 -16.367 -25.399 1.00 1.00 O ATOM 0 H ASP A 3 -23.846 -19.581 -23.352 1.00 1.00 H new ATOM 0 HA ASP A 3 -25.251 -20.170 -25.886 1.00 1.00 H new ATOM 0 HB2 ASP A 3 -23.090 -18.203 -24.998 1.00 1.00 H new ATOM 0 HB3 ASP A 3 -23.519 -18.428 -26.683 1.00 1.00 H new ATOM 56 N MET A 4 -23.711 -21.957 -26.590 1.00 1.00 N ATOM 57 CA MET A 4 -22.807 -22.980 -27.128 1.00 1.00 C ATOM 58 C MET A 4 -22.320 -22.596 -28.525 1.00 1.00 C ATOM 59 O MET A 4 -21.119 -22.413 -28.741 1.00 1.00 O ATOM 60 CB MET A 4 -23.536 -24.329 -27.185 1.00 1.00 C ATOM 61 CG MET A 4 -22.581 -25.424 -27.670 1.00 1.00 C ATOM 62 SD MET A 4 -23.438 -27.021 -27.653 1.00 1.00 S ATOM 63 CE MET A 4 -24.652 -26.658 -28.945 1.00 1.00 C ATOM 0 H MET A 4 -24.694 -22.103 -26.820 1.00 1.00 H new ATOM 0 HA MET A 4 -21.940 -23.058 -26.472 1.00 1.00 H new ATOM 0 HB2 MET A 4 -23.923 -24.584 -26.198 1.00 1.00 H new ATOM 0 HB3 MET A 4 -24.393 -24.260 -27.855 1.00 1.00 H new ATOM 0 HG2 MET A 4 -22.231 -25.197 -28.677 1.00 1.00 H new ATOM 0 HG3 MET A 4 -21.701 -25.464 -27.029 1.00 1.00 H new ATOM 0 HE1 MET A 4 -24.994 -27.590 -29.395 1.00 1.00 H new ATOM 0 HE2 MET A 4 -25.501 -26.132 -28.509 1.00 1.00 H new ATOM 0 HE3 MET A 4 -24.193 -26.033 -29.711 1.00 1.00 H new ATOM 73 N THR A 5 -23.251 -22.477 -29.473 1.00 1.00 N ATOM 74 CA THR A 5 -22.889 -22.114 -30.844 1.00 1.00 C ATOM 75 C THR A 5 -22.422 -20.662 -30.905 1.00 1.00 C ATOM 76 O THR A 5 -21.513 -20.320 -31.660 1.00 1.00 O ATOM 77 CB THR A 5 -24.092 -22.290 -31.780 1.00 1.00 C ATOM 78 OG1 THR A 5 -25.149 -21.442 -31.354 1.00 1.00 O ATOM 79 CG2 THR A 5 -24.569 -23.742 -31.752 1.00 1.00 C ATOM 0 H THR A 5 -24.249 -22.624 -29.320 1.00 1.00 H new ATOM 0 HA THR A 5 -22.080 -22.770 -31.164 1.00 1.00 H new ATOM 0 HB THR A 5 -23.794 -22.029 -32.796 1.00 1.00 H new ATOM 0 HG1 THR A 5 -25.918 -21.552 -31.952 1.00 1.00 H new ATOM 0 HG21 THR A 5 -25.423 -23.857 -32.419 1.00 1.00 H new ATOM 0 HG22 THR A 5 -23.761 -24.397 -32.080 1.00 1.00 H new ATOM 0 HG23 THR A 5 -24.863 -24.009 -30.737 1.00 1.00 H new ATOM 87 N GLU A 6 -23.068 -19.813 -30.111 1.00 1.00 N ATOM 88 CA GLU A 6 -22.736 -18.390 -30.075 1.00 1.00 C ATOM 89 C GLU A 6 -21.620 -18.119 -29.063 1.00 1.00 C ATOM 90 O GLU A 6 -21.430 -18.881 -28.114 1.00 1.00 O ATOM 91 CB GLU A 6 -23.994 -17.591 -29.715 1.00 1.00 C ATOM 92 CG GLU A 6 -25.015 -17.680 -30.858 1.00 1.00 C ATOM 93 CD GLU A 6 -24.485 -16.973 -32.102 1.00 1.00 C ATOM 94 OE1 GLU A 6 -24.100 -15.823 -31.987 1.00 1.00 O ATOM 95 OE2 GLU A 6 -24.475 -17.593 -33.153 1.00 1.00 O ATOM 0 H GLU A 6 -23.825 -20.085 -29.483 1.00 1.00 H new ATOM 0 HA GLU A 6 -22.377 -18.080 -31.056 1.00 1.00 H new ATOM 0 HB2 GLU A 6 -24.431 -17.979 -28.795 1.00 1.00 H new ATOM 0 HB3 GLU A 6 -23.733 -16.549 -29.529 1.00 1.00 H new ATOM 0 HG2 GLU A 6 -25.223 -18.725 -31.087 1.00 1.00 H new ATOM 0 HG3 GLU A 6 -25.957 -17.227 -30.548 1.00 1.00 H new ATOM 102 N GLU A 7 -20.875 -17.032 -29.280 1.00 1.00 N ATOM 103 CA GLU A 7 -19.770 -16.670 -28.389 1.00 1.00 C ATOM 104 C GLU A 7 -20.301 -16.243 -27.021 1.00 1.00 C ATOM 105 O GLU A 7 -21.391 -15.683 -26.919 1.00 1.00 O ATOM 106 CB GLU A 7 -18.959 -15.522 -29.007 1.00 1.00 C ATOM 107 CG GLU A 7 -18.295 -15.987 -30.309 1.00 1.00 C ATOM 108 CD GLU A 7 -17.260 -17.070 -30.028 1.00 1.00 C ATOM 109 OE1 GLU A 7 -16.831 -17.175 -28.890 1.00 1.00 O ATOM 110 OE2 GLU A 7 -16.904 -17.780 -30.956 1.00 1.00 O ATOM 0 H GLU A 7 -21.016 -16.391 -30.060 1.00 1.00 H new ATOM 0 HA GLU A 7 -19.129 -17.542 -28.260 1.00 1.00 H new ATOM 0 HB2 GLU A 7 -19.611 -14.672 -29.206 1.00 1.00 H new ATOM 0 HB3 GLU A 7 -18.199 -15.183 -28.303 1.00 1.00 H new ATOM 0 HG2 GLU A 7 -19.053 -16.369 -30.993 1.00 1.00 H new ATOM 0 HG3 GLU A 7 -17.818 -15.140 -30.803 1.00 1.00 H new ATOM 117 N THR A 8 -19.521 -16.505 -25.972 1.00 1.00 N ATOM 118 CA THR A 8 -19.930 -16.138 -24.621 1.00 1.00 C ATOM 119 C THR A 8 -20.035 -14.619 -24.497 1.00 1.00 C ATOM 120 O THR A 8 -19.155 -13.888 -24.956 1.00 1.00 O ATOM 121 CB THR A 8 -18.918 -16.678 -23.599 1.00 1.00 C ATOM 122 OG1 THR A 8 -18.697 -18.058 -23.847 1.00 1.00 O ATOM 123 CG2 THR A 8 -19.465 -16.503 -22.179 1.00 1.00 C ATOM 0 H THR A 8 -18.613 -16.965 -26.032 1.00 1.00 H new ATOM 0 HA THR A 8 -20.907 -16.577 -24.419 1.00 1.00 H new ATOM 0 HB THR A 8 -17.982 -16.127 -23.694 1.00 1.00 H new ATOM 0 HG1 THR A 8 -18.051 -18.407 -23.199 1.00 1.00 H new ATOM 0 HG21 THR A 8 -18.742 -16.888 -21.460 1.00 1.00 H new ATOM 0 HG22 THR A 8 -19.641 -15.445 -21.985 1.00 1.00 H new ATOM 0 HG23 THR A 8 -20.402 -17.051 -22.080 1.00 1.00 H new ATOM 131 N ARG A 9 -21.110 -14.149 -23.876 1.00 1.00 N ATOM 132 CA ARG A 9 -21.308 -12.716 -23.702 1.00 1.00 C ATOM 133 C ARG A 9 -20.433 -12.210 -22.566 1.00 1.00 C ATOM 134 O ARG A 9 -19.831 -12.997 -21.839 1.00 1.00 O ATOM 135 CB ARG A 9 -22.785 -12.413 -23.389 1.00 1.00 C ATOM 136 CG ARG A 9 -23.375 -13.520 -22.480 1.00 1.00 C ATOM 137 CD ARG A 9 -24.125 -14.552 -23.329 1.00 1.00 C ATOM 138 NE ARG A 9 -25.271 -13.926 -23.974 1.00 1.00 N ATOM 139 CZ ARG A 9 -26.425 -13.775 -23.329 1.00 1.00 C ATOM 140 NH1 ARG A 9 -26.549 -14.187 -22.095 1.00 1.00 N ATOM 141 NH2 ARG A 9 -27.439 -13.209 -23.929 1.00 1.00 N ATOM 0 H ARG A 9 -21.851 -14.733 -23.488 1.00 1.00 H new ATOM 0 HA ARG A 9 -21.032 -12.210 -24.627 1.00 1.00 H new ATOM 0 HB2 ARG A 9 -22.869 -11.444 -22.897 1.00 1.00 H new ATOM 0 HB3 ARG A 9 -23.356 -12.350 -24.316 1.00 1.00 H new ATOM 0 HG2 ARG A 9 -22.576 -14.008 -21.922 1.00 1.00 H new ATOM 0 HG3 ARG A 9 -24.051 -13.079 -21.748 1.00 1.00 H new ATOM 0 HD2 ARG A 9 -23.457 -14.971 -24.082 1.00 1.00 H new ATOM 0 HD3 ARG A 9 -24.457 -15.379 -22.702 1.00 1.00 H new ATOM 0 HE ARG A 9 -25.188 -13.598 -24.936 1.00 1.00 H new ATOM 0 HH11 ARG A 9 -25.759 -14.626 -21.622 1.00 1.00 H new ATOM 0 HH12 ARG A 9 -27.436 -14.069 -21.605 1.00 1.00 H new ATOM 0 HH21 ARG A 9 -27.345 -12.883 -24.891 1.00 1.00 H new ATOM 0 HH22 ARG A 9 -28.324 -13.093 -23.435 1.00 1.00 H new ATOM 155 N LYS A 10 -20.377 -10.890 -22.408 1.00 1.00 N ATOM 156 CA LYS A 10 -19.583 -10.281 -21.344 1.00 1.00 C ATOM 157 C LYS A 10 -20.387 -9.166 -20.686 1.00 1.00 C ATOM 158 O LYS A 10 -21.032 -8.362 -21.363 1.00 1.00 O ATOM 159 CB LYS A 10 -18.255 -9.746 -21.902 1.00 1.00 C ATOM 160 CG LYS A 10 -17.242 -9.568 -20.757 1.00 1.00 C ATOM 161 CD LYS A 10 -15.856 -9.213 -21.320 1.00 1.00 C ATOM 162 CE LYS A 10 -15.856 -7.788 -21.882 1.00 1.00 C ATOM 163 NZ LYS A 10 -14.449 -7.338 -22.088 1.00 1.00 N ATOM 0 H LYS A 10 -20.870 -10.223 -23.001 1.00 1.00 H new ATOM 0 HA LYS A 10 -19.348 -11.035 -20.593 1.00 1.00 H new ATOM 0 HB2 LYS A 10 -17.858 -10.436 -22.647 1.00 1.00 H new ATOM 0 HB3 LYS A 10 -18.419 -8.794 -22.406 1.00 1.00 H new ATOM 0 HG2 LYS A 10 -17.580 -8.781 -20.082 1.00 1.00 H new ATOM 0 HG3 LYS A 10 -17.180 -10.485 -20.171 1.00 1.00 H new ATOM 0 HD2 LYS A 10 -15.104 -9.301 -20.535 1.00 1.00 H new ATOM 0 HD3 LYS A 10 -15.583 -9.920 -22.104 1.00 1.00 H new ATOM 0 HE2 LYS A 10 -16.401 -7.757 -22.825 1.00 1.00 H new ATOM 0 HE3 LYS A 10 -16.368 -7.114 -21.195 1.00 1.00 H new ATOM 0 HZ1 LYS A 10 -14.446 -6.371 -22.470 1.00 1.00 H new ATOM 0 HZ2 LYS A 10 -13.943 -7.353 -21.179 1.00 1.00 H new ATOM 0 HZ3 LYS A 10 -13.975 -7.976 -22.759 1.00 1.00 H new ATOM 177 N ASP A 11 -20.373 -9.155 -19.361 1.00 1.00 N ATOM 178 CA ASP A 11 -21.128 -8.177 -18.589 1.00 1.00 C ATOM 179 C ASP A 11 -20.449 -6.814 -18.580 1.00 1.00 C ATOM 180 O ASP A 11 -19.827 -6.414 -19.564 1.00 1.00 O ATOM 181 CB ASP A 11 -21.289 -8.691 -17.159 1.00 1.00 C ATOM 182 CG ASP A 11 -22.429 -7.965 -16.454 1.00 1.00 C ATOM 183 OD1 ASP A 11 -23.436 -7.725 -17.093 1.00 1.00 O ATOM 184 OD2 ASP A 11 -22.276 -7.666 -15.280 1.00 1.00 O ATOM 0 H ASP A 11 -19.843 -9.817 -18.794 1.00 1.00 H new ATOM 0 HA ASP A 11 -22.104 -8.049 -19.057 1.00 1.00 H new ATOM 0 HB2 ASP A 11 -21.486 -9.763 -17.172 1.00 1.00 H new ATOM 0 HB3 ASP A 11 -20.361 -8.544 -16.607 1.00 1.00 H new ATOM 189 N LEU A 12 -20.586 -6.093 -17.459 1.00 1.00 N ATOM 190 CA LEU A 12 -19.996 -4.760 -17.321 1.00 1.00 C ATOM 191 C LEU A 12 -18.836 -4.798 -16.321 1.00 1.00 C ATOM 192 O LEU A 12 -19.060 -4.762 -15.111 1.00 1.00 O ATOM 193 CB LEU A 12 -21.073 -3.777 -16.829 1.00 1.00 C ATOM 194 CG LEU A 12 -21.853 -3.211 -18.034 1.00 1.00 C ATOM 195 CD1 LEU A 12 -20.948 -2.267 -18.873 1.00 1.00 C ATOM 196 CD2 LEU A 12 -22.356 -4.371 -18.917 1.00 1.00 C ATOM 0 H LEU A 12 -21.100 -6.412 -16.638 1.00 1.00 H new ATOM 0 HA LEU A 12 -19.615 -4.433 -18.289 1.00 1.00 H new ATOM 0 HB2 LEU A 12 -21.756 -4.283 -16.147 1.00 1.00 H new ATOM 0 HB3 LEU A 12 -20.609 -2.964 -16.270 1.00 1.00 H new ATOM 0 HG LEU A 12 -22.704 -2.640 -17.664 1.00 1.00 H new ATOM 0 HD11 LEU A 12 -21.514 -1.877 -19.719 1.00 1.00 H new ATOM 0 HD12 LEU A 12 -20.610 -1.439 -18.250 1.00 1.00 H new ATOM 0 HD13 LEU A 12 -20.084 -2.822 -19.240 1.00 1.00 H new ATOM 0 HD21 LEU A 12 -22.907 -3.969 -19.767 1.00 1.00 H new ATOM 0 HD22 LEU A 12 -21.505 -4.950 -19.277 1.00 1.00 H new ATOM 0 HD23 LEU A 12 -23.012 -5.015 -18.332 1.00 1.00 H new ATOM 208 N PRO A 13 -17.614 -4.869 -16.794 1.00 1.00 N ATOM 209 CA PRO A 13 -16.426 -4.913 -15.904 1.00 1.00 C ATOM 210 C PRO A 13 -16.453 -3.786 -14.851 1.00 1.00 C ATOM 211 O PRO A 13 -16.276 -2.615 -15.193 1.00 1.00 O ATOM 212 CB PRO A 13 -15.227 -4.753 -16.853 1.00 1.00 C ATOM 213 CG PRO A 13 -15.723 -5.201 -18.193 1.00 1.00 C ATOM 214 CD PRO A 13 -17.227 -4.924 -18.214 1.00 1.00 C ATOM 0 HA PRO A 13 -16.386 -5.840 -15.332 1.00 1.00 H new ATOM 0 HB2 PRO A 13 -14.886 -3.718 -16.885 1.00 1.00 H new ATOM 0 HB3 PRO A 13 -14.381 -5.357 -16.524 1.00 1.00 H new ATOM 0 HG2 PRO A 13 -15.218 -4.661 -18.994 1.00 1.00 H new ATOM 0 HG3 PRO A 13 -15.522 -6.261 -18.347 1.00 1.00 H new ATOM 0 HD2 PRO A 13 -17.450 -3.986 -18.722 1.00 1.00 H new ATOM 0 HD3 PRO A 13 -17.768 -5.709 -18.742 1.00 1.00 H new ATOM 222 N PRO A 14 -16.671 -4.102 -13.595 1.00 1.00 N ATOM 223 CA PRO A 14 -16.717 -3.083 -12.510 1.00 1.00 C ATOM 224 C PRO A 14 -15.326 -2.612 -12.089 1.00 1.00 C ATOM 225 O PRO A 14 -14.314 -3.146 -12.537 1.00 1.00 O ATOM 226 CB PRO A 14 -17.439 -3.813 -11.366 1.00 1.00 C ATOM 227 CG PRO A 14 -17.097 -5.257 -11.558 1.00 1.00 C ATOM 228 CD PRO A 14 -16.895 -5.462 -13.064 1.00 1.00 C ATOM 0 HA PRO A 14 -17.223 -2.170 -12.823 1.00 1.00 H new ATOM 0 HB2 PRO A 14 -17.104 -3.453 -10.393 1.00 1.00 H new ATOM 0 HB3 PRO A 14 -18.516 -3.652 -11.412 1.00 1.00 H new ATOM 0 HG2 PRO A 14 -16.194 -5.518 -11.007 1.00 1.00 H new ATOM 0 HG3 PRO A 14 -17.895 -5.898 -11.183 1.00 1.00 H new ATOM 0 HD2 PRO A 14 -16.044 -6.112 -13.266 1.00 1.00 H new ATOM 0 HD3 PRO A 14 -17.767 -5.928 -13.522 1.00 1.00 H new ATOM 236 N GLU A 15 -15.299 -1.601 -11.228 1.00 1.00 N ATOM 237 CA GLU A 15 -14.038 -1.052 -10.751 1.00 1.00 C ATOM 238 C GLU A 15 -13.156 -2.164 -10.194 1.00 1.00 C ATOM 239 O GLU A 15 -11.933 -2.115 -10.308 1.00 1.00 O ATOM 240 CB GLU A 15 -14.304 -0.003 -9.663 1.00 1.00 C ATOM 241 CG GLU A 15 -14.950 -0.665 -8.440 1.00 1.00 C ATOM 242 CD GLU A 15 -15.293 0.396 -7.398 1.00 1.00 C ATOM 243 OE1 GLU A 15 -15.744 1.459 -7.793 1.00 1.00 O ATOM 244 OE2 GLU A 15 -15.101 0.129 -6.225 1.00 1.00 O ATOM 0 H GLU A 15 -16.131 -1.148 -10.849 1.00 1.00 H new ATOM 0 HA GLU A 15 -13.522 -0.579 -11.586 1.00 1.00 H new ATOM 0 HB2 GLU A 15 -13.369 0.478 -9.375 1.00 1.00 H new ATOM 0 HB3 GLU A 15 -14.958 0.778 -10.052 1.00 1.00 H new ATOM 0 HG2 GLU A 15 -15.852 -1.200 -8.738 1.00 1.00 H new ATOM 0 HG3 GLU A 15 -14.270 -1.401 -8.012 1.00 1.00 H new ATOM 251 N ALA A 16 -13.791 -3.166 -9.597 1.00 1.00 N ATOM 252 CA ALA A 16 -13.069 -4.289 -9.024 1.00 1.00 C ATOM 253 C ALA A 16 -12.031 -4.805 -10.013 1.00 1.00 C ATOM 254 O ALA A 16 -10.870 -5.010 -9.663 1.00 1.00 O ATOM 255 CB ALA A 16 -14.064 -5.401 -8.679 1.00 1.00 C ATOM 0 H ALA A 16 -14.805 -3.221 -9.499 1.00 1.00 H new ATOM 0 HA ALA A 16 -12.554 -3.966 -8.119 1.00 1.00 H new ATOM 0 HB1 ALA A 16 -13.529 -6.247 -8.248 1.00 1.00 H new ATOM 0 HB2 ALA A 16 -14.792 -5.027 -7.959 1.00 1.00 H new ATOM 0 HB3 ALA A 16 -14.580 -5.721 -9.584 1.00 1.00 H new ATOM 261 N LEU A 17 -12.451 -5.002 -11.252 1.00 1.00 N ATOM 262 CA LEU A 17 -11.550 -5.479 -12.289 1.00 1.00 C ATOM 263 C LEU A 17 -10.475 -4.441 -12.561 1.00 1.00 C ATOM 264 O LEU A 17 -9.305 -4.772 -12.744 1.00 1.00 O ATOM 265 CB LEU A 17 -12.347 -5.784 -13.565 1.00 1.00 C ATOM 266 CG LEU A 17 -12.972 -7.190 -13.456 1.00 1.00 C ATOM 267 CD1 LEU A 17 -11.876 -8.280 -13.531 1.00 1.00 C ATOM 268 CD2 LEU A 17 -13.729 -7.311 -12.117 1.00 1.00 C ATOM 0 H LEU A 17 -13.408 -4.839 -11.564 1.00 1.00 H new ATOM 0 HA LEU A 17 -11.064 -6.395 -11.954 1.00 1.00 H new ATOM 0 HB2 LEU A 17 -13.128 -5.037 -13.706 1.00 1.00 H new ATOM 0 HB3 LEU A 17 -11.694 -5.731 -14.436 1.00 1.00 H new ATOM 0 HG LEU A 17 -13.663 -7.333 -14.287 1.00 1.00 H new ATOM 0 HD11 LEU A 17 -12.336 -9.265 -13.452 1.00 1.00 H new ATOM 0 HD12 LEU A 17 -11.349 -8.201 -14.482 1.00 1.00 H new ATOM 0 HD13 LEU A 17 -11.170 -8.143 -12.712 1.00 1.00 H new ATOM 0 HD21 LEU A 17 -14.172 -8.304 -12.038 1.00 1.00 H new ATOM 0 HD22 LEU A 17 -13.035 -7.156 -11.291 1.00 1.00 H new ATOM 0 HD23 LEU A 17 -14.516 -6.558 -12.075 1.00 1.00 H new ATOM 280 N ARG A 18 -10.881 -3.183 -12.576 1.00 1.00 N ATOM 281 CA ARG A 18 -9.946 -2.099 -12.815 1.00 1.00 C ATOM 282 C ARG A 18 -8.940 -2.035 -11.676 1.00 1.00 C ATOM 283 O ARG A 18 -7.762 -1.755 -11.894 1.00 1.00 O ATOM 284 CB ARG A 18 -10.702 -0.772 -12.933 1.00 1.00 C ATOM 285 CG ARG A 18 -11.694 -0.830 -14.106 1.00 1.00 C ATOM 286 CD ARG A 18 -10.962 -0.665 -15.444 1.00 1.00 C ATOM 287 NE ARG A 18 -11.929 -0.523 -16.524 1.00 1.00 N ATOM 288 CZ ARG A 18 -11.577 -0.712 -17.793 1.00 1.00 C ATOM 289 NH1 ARG A 18 -10.346 -1.031 -18.093 1.00 1.00 N ATOM 290 NH2 ARG A 18 -12.465 -0.580 -18.743 1.00 1.00 N ATOM 0 H ARG A 18 -11.846 -2.889 -12.426 1.00 1.00 H new ATOM 0 HA ARG A 18 -9.414 -2.279 -13.749 1.00 1.00 H new ATOM 0 HB2 ARG A 18 -11.236 -0.565 -12.005 1.00 1.00 H new ATOM 0 HB3 ARG A 18 -9.996 0.045 -13.084 1.00 1.00 H new ATOM 0 HG2 ARG A 18 -12.226 -1.781 -14.092 1.00 1.00 H new ATOM 0 HG3 ARG A 18 -12.442 -0.045 -13.996 1.00 1.00 H new ATOM 0 HD2 ARG A 18 -10.313 0.210 -15.408 1.00 1.00 H new ATOM 0 HD3 ARG A 18 -10.323 -1.529 -15.628 1.00 1.00 H new ATOM 0 HE ARG A 18 -12.893 -0.274 -16.303 1.00 1.00 H new ATOM 0 HH11 ARG A 18 -9.652 -1.136 -17.353 1.00 1.00 H new ATOM 0 HH12 ARG A 18 -10.079 -1.175 -19.067 1.00 1.00 H new ATOM 0 HH21 ARG A 18 -13.427 -0.332 -18.511 1.00 1.00 H new ATOM 0 HH22 ARG A 18 -12.196 -0.725 -19.716 1.00 1.00 H new ATOM 304 N ALA A 19 -9.406 -2.312 -10.460 1.00 1.00 N ATOM 305 CA ALA A 19 -8.527 -2.296 -9.300 1.00 1.00 C ATOM 306 C ALA A 19 -7.437 -3.347 -9.478 1.00 1.00 C ATOM 307 O ALA A 19 -6.270 -3.111 -9.161 1.00 1.00 O ATOM 308 CB ALA A 19 -9.333 -2.582 -8.028 1.00 1.00 C ATOM 0 H ALA A 19 -10.377 -2.548 -10.256 1.00 1.00 H new ATOM 0 HA ALA A 19 -8.067 -1.312 -9.207 1.00 1.00 H new ATOM 0 HB1 ALA A 19 -8.668 -2.568 -7.165 1.00 1.00 H new ATOM 0 HB2 ALA A 19 -10.102 -1.819 -7.905 1.00 1.00 H new ATOM 0 HB3 ALA A 19 -9.803 -3.562 -8.108 1.00 1.00 H new ATOM 314 N LEU A 20 -7.830 -4.501 -10.001 1.00 1.00 N ATOM 315 CA LEU A 20 -6.885 -5.582 -10.236 1.00 1.00 C ATOM 316 C LEU A 20 -5.824 -5.123 -11.230 1.00 1.00 C ATOM 317 O LEU A 20 -4.641 -5.433 -11.083 1.00 1.00 O ATOM 318 CB LEU A 20 -7.626 -6.815 -10.780 1.00 1.00 C ATOM 319 CG LEU A 20 -6.629 -7.933 -11.129 1.00 1.00 C ATOM 320 CD1 LEU A 20 -5.791 -8.297 -9.893 1.00 1.00 C ATOM 321 CD2 LEU A 20 -7.401 -9.169 -11.605 1.00 1.00 C ATOM 0 H LEU A 20 -8.792 -4.711 -10.269 1.00 1.00 H new ATOM 0 HA LEU A 20 -6.401 -5.851 -9.297 1.00 1.00 H new ATOM 0 HB2 LEU A 20 -8.339 -7.174 -10.038 1.00 1.00 H new ATOM 0 HB3 LEU A 20 -8.199 -6.541 -11.666 1.00 1.00 H new ATOM 0 HG LEU A 20 -5.964 -7.586 -11.920 1.00 1.00 H new ATOM 0 HD11 LEU A 20 -5.088 -9.089 -10.150 1.00 1.00 H new ATOM 0 HD12 LEU A 20 -5.240 -7.419 -9.555 1.00 1.00 H new ATOM 0 HD13 LEU A 20 -6.449 -8.641 -9.095 1.00 1.00 H new ATOM 0 HD21 LEU A 20 -6.698 -9.964 -11.853 1.00 1.00 H new ATOM 0 HD22 LEU A 20 -8.068 -9.509 -10.813 1.00 1.00 H new ATOM 0 HD23 LEU A 20 -7.987 -8.914 -12.488 1.00 1.00 H new ATOM 333 N ALA A 21 -6.259 -4.379 -12.237 1.00 1.00 N ATOM 334 CA ALA A 21 -5.349 -3.871 -13.254 1.00 1.00 C ATOM 335 C ALA A 21 -4.358 -2.885 -12.643 1.00 1.00 C ATOM 336 O ALA A 21 -3.197 -2.835 -13.042 1.00 1.00 O ATOM 337 CB ALA A 21 -6.143 -3.194 -14.372 1.00 1.00 C ATOM 0 H ALA A 21 -7.235 -4.114 -12.372 1.00 1.00 H new ATOM 0 HA ALA A 21 -4.789 -4.709 -13.670 1.00 1.00 H new ATOM 0 HB1 ALA A 21 -5.456 -2.816 -15.129 1.00 1.00 H new ATOM 0 HB2 ALA A 21 -6.821 -3.917 -14.826 1.00 1.00 H new ATOM 0 HB3 ALA A 21 -6.719 -2.366 -13.959 1.00 1.00 H new ATOM 343 N GLU A 22 -4.817 -2.105 -11.665 1.00 1.00 N ATOM 344 CA GLU A 22 -3.946 -1.140 -11.005 1.00 1.00 C ATOM 345 C GLU A 22 -2.866 -1.877 -10.215 1.00 1.00 C ATOM 346 O GLU A 22 -1.735 -1.402 -10.097 1.00 1.00 O ATOM 347 CB GLU A 22 -4.758 -0.239 -10.070 1.00 1.00 C ATOM 348 CG GLU A 22 -5.694 0.663 -10.884 1.00 1.00 C ATOM 349 CD GLU A 22 -4.892 1.639 -11.743 1.00 1.00 C ATOM 350 OE1 GLU A 22 -3.743 1.882 -11.415 1.00 1.00 O ATOM 351 OE2 GLU A 22 -5.441 2.129 -12.714 1.00 1.00 O ATOM 0 H GLU A 22 -5.776 -2.123 -11.317 1.00 1.00 H new ATOM 0 HA GLU A 22 -3.473 -0.515 -11.763 1.00 1.00 H new ATOM 0 HB2 GLU A 22 -5.339 -0.850 -9.379 1.00 1.00 H new ATOM 0 HB3 GLU A 22 -4.086 0.372 -9.467 1.00 1.00 H new ATOM 0 HG2 GLU A 22 -6.334 0.052 -11.521 1.00 1.00 H new ATOM 0 HG3 GLU A 22 -6.349 1.217 -10.211 1.00 1.00 H new ATOM 358 N ALA A 23 -3.221 -3.046 -9.688 1.00 1.00 N ATOM 359 CA ALA A 23 -2.277 -3.853 -8.923 1.00 1.00 C ATOM 360 C ALA A 23 -1.045 -4.152 -9.774 1.00 1.00 C ATOM 361 O ALA A 23 0.042 -4.397 -9.251 1.00 1.00 O ATOM 362 CB ALA A 23 -2.940 -5.164 -8.493 1.00 1.00 C ATOM 0 H ALA A 23 -4.152 -3.454 -9.777 1.00 1.00 H new ATOM 0 HA ALA A 23 -1.974 -3.299 -8.034 1.00 1.00 H new ATOM 0 HB1 ALA A 23 -2.229 -5.761 -7.922 1.00 1.00 H new ATOM 0 HB2 ALA A 23 -3.810 -4.946 -7.874 1.00 1.00 H new ATOM 0 HB3 ALA A 23 -3.254 -5.720 -9.377 1.00 1.00 H new ATOM 368 N GLU A 24 -1.233 -4.124 -11.090 1.00 1.00 N ATOM 369 CA GLU A 24 -0.142 -4.386 -12.023 1.00 1.00 C ATOM 370 C GLU A 24 0.973 -3.357 -11.836 1.00 1.00 C ATOM 371 O GLU A 24 2.154 -3.671 -11.994 1.00 1.00 O ATOM 372 CB GLU A 24 -0.669 -4.331 -13.464 1.00 1.00 C ATOM 373 CG GLU A 24 0.447 -4.715 -14.439 1.00 1.00 C ATOM 374 CD GLU A 24 -0.082 -4.714 -15.872 1.00 1.00 C ATOM 375 OE1 GLU A 24 -1.170 -4.207 -16.083 1.00 1.00 O ATOM 376 OE2 GLU A 24 0.611 -5.224 -16.738 1.00 1.00 O ATOM 0 H GLU A 24 -2.129 -3.923 -11.534 1.00 1.00 H new ATOM 0 HA GLU A 24 0.262 -5.379 -11.825 1.00 1.00 H new ATOM 0 HB2 GLU A 24 -1.514 -5.010 -13.578 1.00 1.00 H new ATOM 0 HB3 GLU A 24 -1.033 -3.329 -13.690 1.00 1.00 H new ATOM 0 HG2 GLU A 24 1.276 -4.013 -14.349 1.00 1.00 H new ATOM 0 HG3 GLU A 24 0.836 -5.702 -14.188 1.00 1.00 H new ATOM 383 N GLU A 25 0.589 -2.130 -11.490 1.00 1.00 N ATOM 384 CA GLU A 25 1.563 -1.064 -11.270 1.00 1.00 C ATOM 385 C GLU A 25 2.517 -1.453 -10.142 1.00 1.00 C ATOM 386 O GLU A 25 3.714 -1.179 -10.203 1.00 1.00 O ATOM 387 CB GLU A 25 0.835 0.231 -10.891 1.00 1.00 C ATOM 388 CG GLU A 25 1.840 1.380 -10.735 1.00 1.00 C ATOM 389 CD GLU A 25 1.099 2.671 -10.397 1.00 1.00 C ATOM 390 OE1 GLU A 25 -0.108 2.697 -10.564 1.00 1.00 O ATOM 391 OE2 GLU A 25 1.749 3.614 -9.976 1.00 1.00 O ATOM 0 H GLU A 25 -0.383 -1.851 -11.357 1.00 1.00 H new ATOM 0 HA GLU A 25 2.131 -0.910 -12.187 1.00 1.00 H new ATOM 0 HB2 GLU A 25 0.102 0.482 -11.657 1.00 1.00 H new ATOM 0 HB3 GLU A 25 0.287 0.089 -9.960 1.00 1.00 H new ATOM 0 HG2 GLU A 25 2.557 1.144 -9.948 1.00 1.00 H new ATOM 0 HG3 GLU A 25 2.408 1.506 -11.657 1.00 1.00 H new ATOM 398 N ARG A 26 1.966 -2.085 -9.108 1.00 1.00 N ATOM 399 CA ARG A 26 2.758 -2.502 -7.948 1.00 1.00 C ATOM 400 C ARG A 26 3.185 -3.963 -8.066 1.00 1.00 C ATOM 401 O ARG A 26 2.356 -4.871 -7.986 1.00 1.00 O ATOM 402 CB ARG A 26 1.920 -2.311 -6.678 1.00 1.00 C ATOM 403 CG ARG A 26 1.478 -0.847 -6.557 1.00 1.00 C ATOM 404 CD ARG A 26 2.654 0.037 -6.131 1.00 1.00 C ATOM 405 NE ARG A 26 2.166 1.351 -5.753 1.00 1.00 N ATOM 406 CZ ARG A 26 2.979 2.401 -5.713 1.00 1.00 C ATOM 407 NH1 ARG A 26 4.242 2.265 -6.020 1.00 1.00 N ATOM 408 NH2 ARG A 26 2.512 3.567 -5.366 1.00 1.00 N ATOM 0 H ARG A 26 0.975 -2.320 -9.048 1.00 1.00 H new ATOM 0 HA ARG A 26 3.659 -1.891 -7.902 1.00 1.00 H new ATOM 0 HB2 ARG A 26 1.046 -2.962 -6.707 1.00 1.00 H new ATOM 0 HB3 ARG A 26 2.502 -2.598 -5.802 1.00 1.00 H new ATOM 0 HG2 ARG A 26 1.083 -0.501 -7.512 1.00 1.00 H new ATOM 0 HG3 ARG A 26 0.671 -0.764 -5.829 1.00 1.00 H new ATOM 0 HD2 ARG A 26 3.181 -0.421 -5.294 1.00 1.00 H new ATOM 0 HD3 ARG A 26 3.370 0.125 -6.948 1.00 1.00 H new ATOM 0 HE ARG A 26 1.182 1.470 -5.514 1.00 1.00 H new ATOM 0 HH11 ARG A 26 4.605 1.351 -6.291 1.00 1.00 H new ATOM 0 HH12 ARG A 26 4.864 3.073 -5.989 1.00 1.00 H new ATOM 0 HH21 ARG A 26 1.526 3.671 -5.126 1.00 1.00 H new ATOM 0 HH22 ARG A 26 3.133 4.376 -5.334 1.00 1.00 H new ATOM 422 N ARG A 27 4.486 -4.180 -8.255 1.00 1.00 N ATOM 423 CA ARG A 27 5.019 -5.535 -8.388 1.00 1.00 C ATOM 424 C ARG A 27 4.770 -6.339 -7.103 1.00 1.00 C ATOM 425 O ARG A 27 4.386 -7.505 -7.150 1.00 1.00 O ATOM 426 CB ARG A 27 6.537 -5.477 -8.690 1.00 1.00 C ATOM 427 CG ARG A 27 6.941 -6.611 -9.646 1.00 1.00 C ATOM 428 CD ARG A 27 6.691 -7.967 -8.991 1.00 1.00 C ATOM 429 NE ARG A 27 7.376 -9.008 -9.746 1.00 1.00 N ATOM 430 CZ ARG A 27 6.781 -9.646 -10.751 1.00 1.00 C ATOM 431 NH1 ARG A 27 5.551 -9.352 -11.084 1.00 1.00 N ATOM 432 NH2 ARG A 27 7.434 -10.561 -11.416 1.00 1.00 N ATOM 0 H ARG A 27 5.186 -3.441 -8.319 1.00 1.00 H new ATOM 0 HA ARG A 27 4.508 -6.031 -9.213 1.00 1.00 H new ATOM 0 HB2 ARG A 27 6.789 -4.513 -9.133 1.00 1.00 H new ATOM 0 HB3 ARG A 27 7.102 -5.558 -7.761 1.00 1.00 H new ATOM 0 HG2 ARG A 27 6.371 -6.536 -10.572 1.00 1.00 H new ATOM 0 HG3 ARG A 27 7.994 -6.515 -9.911 1.00 1.00 H new ATOM 0 HD2 ARG A 27 7.048 -7.956 -7.961 1.00 1.00 H new ATOM 0 HD3 ARG A 27 5.621 -8.173 -8.956 1.00 1.00 H new ATOM 0 HE ARG A 27 8.335 -9.254 -9.498 1.00 1.00 H new ATOM 0 HH11 ARG A 27 5.043 -8.630 -10.573 1.00 1.00 H new ATOM 0 HH12 ARG A 27 5.100 -9.844 -11.855 1.00 1.00 H new ATOM 0 HH21 ARG A 27 8.397 -10.785 -11.164 1.00 1.00 H new ATOM 0 HH22 ARG A 27 6.981 -11.052 -12.187 1.00 1.00 H new ATOM 446 N ARG A 28 5.002 -5.707 -5.959 1.00 1.00 N ATOM 447 CA ARG A 28 4.820 -6.382 -4.677 1.00 1.00 C ATOM 448 C ARG A 28 3.385 -6.873 -4.518 1.00 1.00 C ATOM 449 O ARG A 28 3.149 -7.994 -4.064 1.00 1.00 O ATOM 450 CB ARG A 28 5.173 -5.413 -3.539 1.00 1.00 C ATOM 451 CG ARG A 28 6.698 -5.172 -3.498 1.00 1.00 C ATOM 452 CD ARG A 28 7.385 -6.258 -2.662 1.00 1.00 C ATOM 453 NE ARG A 28 8.828 -6.072 -2.685 1.00 1.00 N ATOM 454 CZ ARG A 28 9.425 -5.209 -1.869 1.00 1.00 C ATOM 455 NH1 ARG A 28 8.714 -4.507 -1.024 1.00 1.00 N ATOM 456 NH2 ARG A 28 10.721 -5.064 -1.909 1.00 1.00 N ATOM 0 H ARG A 28 5.313 -4.738 -5.891 1.00 1.00 H new ATOM 0 HA ARG A 28 5.479 -7.249 -4.640 1.00 1.00 H new ATOM 0 HB2 ARG A 28 4.652 -4.467 -3.682 1.00 1.00 H new ATOM 0 HB3 ARG A 28 4.836 -5.821 -2.586 1.00 1.00 H new ATOM 0 HG2 ARG A 28 7.101 -5.174 -4.511 1.00 1.00 H new ATOM 0 HG3 ARG A 28 6.907 -4.190 -3.074 1.00 1.00 H new ATOM 0 HD2 ARG A 28 7.022 -6.220 -1.635 1.00 1.00 H new ATOM 0 HD3 ARG A 28 7.132 -7.243 -3.053 1.00 1.00 H new ATOM 0 HE ARG A 28 9.392 -6.614 -3.340 1.00 1.00 H new ATOM 0 HH11 ARG A 28 7.701 -4.622 -0.991 1.00 1.00 H new ATOM 0 HH12 ARG A 28 9.173 -3.845 -0.398 1.00 1.00 H new ATOM 0 HH21 ARG A 28 11.276 -5.613 -2.566 1.00 1.00 H new ATOM 0 HH22 ARG A 28 11.180 -4.402 -1.283 1.00 1.00 H new ATOM 470 N ARG A 29 2.432 -6.032 -4.887 1.00 1.00 N ATOM 471 CA ARG A 29 1.021 -6.391 -4.777 1.00 1.00 C ATOM 472 C ARG A 29 0.719 -7.625 -5.633 1.00 1.00 C ATOM 473 O ARG A 29 0.041 -8.552 -5.189 1.00 1.00 O ATOM 474 CB ARG A 29 0.160 -5.211 -5.242 1.00 1.00 C ATOM 475 CG ARG A 29 -1.328 -5.455 -4.915 1.00 1.00 C ATOM 476 CD ARG A 29 -1.644 -4.965 -3.495 1.00 1.00 C ATOM 477 NE ARG A 29 -1.472 -3.521 -3.414 1.00 1.00 N ATOM 478 CZ ARG A 29 -2.421 -2.688 -3.828 1.00 1.00 C ATOM 479 NH1 ARG A 29 -3.538 -3.158 -4.316 1.00 1.00 N ATOM 480 NH2 ARG A 29 -2.239 -1.396 -3.750 1.00 1.00 N ATOM 0 H ARG A 29 2.605 -5.100 -5.264 1.00 1.00 H new ATOM 0 HA ARG A 29 0.791 -6.624 -3.737 1.00 1.00 H new ATOM 0 HB2 ARG A 29 0.498 -4.295 -4.757 1.00 1.00 H new ATOM 0 HB3 ARG A 29 0.282 -5.067 -6.316 1.00 1.00 H new ATOM 0 HG2 ARG A 29 -1.957 -4.933 -5.636 1.00 1.00 H new ATOM 0 HG3 ARG A 29 -1.558 -6.517 -5.001 1.00 1.00 H new ATOM 0 HD2 ARG A 29 -2.666 -5.233 -3.229 1.00 1.00 H new ATOM 0 HD3 ARG A 29 -0.988 -5.458 -2.777 1.00 1.00 H new ATOM 0 HE ARG A 29 -0.606 -3.142 -3.032 1.00 1.00 H new ATOM 0 HH11 ARG A 29 -3.683 -4.166 -4.380 1.00 1.00 H new ATOM 0 HH12 ARG A 29 -4.265 -2.517 -4.633 1.00 1.00 H new ATOM 0 HH21 ARG A 29 -1.367 -1.026 -3.371 1.00 1.00 H new ATOM 0 HH22 ARG A 29 -2.968 -0.758 -4.068 1.00 1.00 H new ATOM 494 N ALA A 30 1.232 -7.625 -6.861 1.00 1.00 N ATOM 495 CA ALA A 30 1.022 -8.742 -7.778 1.00 1.00 C ATOM 496 C ALA A 30 1.837 -9.959 -7.349 1.00 1.00 C ATOM 497 O ALA A 30 1.383 -11.097 -7.470 1.00 1.00 O ATOM 498 CB ALA A 30 1.416 -8.326 -9.197 1.00 1.00 C ATOM 0 H ALA A 30 1.795 -6.865 -7.243 1.00 1.00 H new ATOM 0 HA ALA A 30 -0.034 -9.012 -7.757 1.00 1.00 H new ATOM 0 HB1 ALA A 30 1.258 -9.162 -9.878 1.00 1.00 H new ATOM 0 HB2 ALA A 30 0.804 -7.481 -9.512 1.00 1.00 H new ATOM 0 HB3 ALA A 30 2.467 -8.038 -9.213 1.00 1.00 H new ATOM 504 N LYS A 31 3.043 -9.710 -6.849 1.00 1.00 N ATOM 505 CA LYS A 31 3.916 -10.792 -6.403 1.00 1.00 C ATOM 506 C LYS A 31 3.291 -11.530 -5.224 1.00 1.00 C ATOM 507 O LYS A 31 3.373 -12.756 -5.129 1.00 1.00 O ATOM 508 CB LYS A 31 5.281 -10.230 -6.007 1.00 1.00 C ATOM 509 CG LYS A 31 6.229 -11.382 -5.661 1.00 1.00 C ATOM 510 CD LYS A 31 7.641 -10.836 -5.353 1.00 1.00 C ATOM 511 CE LYS A 31 8.463 -10.732 -6.643 1.00 1.00 C ATOM 512 NZ LYS A 31 8.980 -12.078 -7.007 1.00 1.00 N ATOM 0 H LYS A 31 3.437 -8.775 -6.742 1.00 1.00 H new ATOM 0 HA LYS A 31 4.045 -11.498 -7.224 1.00 1.00 H new ATOM 0 HB2 LYS A 31 5.694 -9.639 -6.825 1.00 1.00 H new ATOM 0 HB3 LYS A 31 5.177 -9.562 -5.152 1.00 1.00 H new ATOM 0 HG2 LYS A 31 5.847 -11.931 -4.800 1.00 1.00 H new ATOM 0 HG3 LYS A 31 6.276 -12.086 -6.492 1.00 1.00 H new ATOM 0 HD2 LYS A 31 7.565 -9.856 -4.882 1.00 1.00 H new ATOM 0 HD3 LYS A 31 8.146 -11.492 -4.644 1.00 1.00 H new ATOM 0 HE2 LYS A 31 7.846 -10.336 -7.450 1.00 1.00 H new ATOM 0 HE3 LYS A 31 9.291 -10.037 -6.505 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 9.659 -11.989 -7.789 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 9.453 -12.502 -6.184 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 8.189 -12.685 -7.303 1.00 1.00 H new ATOM 526 N ALA A 32 2.664 -10.774 -4.327 1.00 1.00 N ATOM 527 CA ALA A 32 2.026 -11.362 -3.157 1.00 1.00 C ATOM 528 C ALA A 32 0.901 -12.307 -3.571 1.00 1.00 C ATOM 529 O ALA A 32 0.702 -13.349 -2.949 1.00 1.00 O ATOM 530 CB ALA A 32 1.461 -10.257 -2.263 1.00 1.00 C ATOM 0 H ALA A 32 2.585 -9.759 -4.388 1.00 1.00 H new ATOM 0 HA ALA A 32 2.776 -11.931 -2.607 1.00 1.00 H new ATOM 0 HB1 ALA A 32 0.985 -10.703 -1.390 1.00 1.00 H new ATOM 0 HB2 ALA A 32 2.270 -9.601 -1.940 1.00 1.00 H new ATOM 0 HB3 ALA A 32 0.725 -9.678 -2.821 1.00 1.00 H new ATOM 536 N LEU A 33 0.165 -11.941 -4.629 1.00 1.00 N ATOM 537 CA LEU A 33 -0.944 -12.768 -5.115 1.00 1.00 C ATOM 538 C LEU A 33 -0.769 -13.064 -6.601 1.00 1.00 C ATOM 539 O LEU A 33 -1.594 -12.668 -7.425 1.00 1.00 O ATOM 540 CB LEU A 33 -2.270 -12.032 -4.894 1.00 1.00 C ATOM 541 CG LEU A 33 -2.404 -11.625 -3.419 1.00 1.00 C ATOM 542 CD1 LEU A 33 -3.643 -10.744 -3.245 1.00 1.00 C ATOM 543 CD2 LEU A 33 -2.546 -12.876 -2.536 1.00 1.00 C ATOM 0 H LEU A 33 0.317 -11.084 -5.160 1.00 1.00 H new ATOM 0 HA LEU A 33 -0.950 -13.708 -4.564 1.00 1.00 H new ATOM 0 HB2 LEU A 33 -2.315 -11.148 -5.530 1.00 1.00 H new ATOM 0 HB3 LEU A 33 -3.104 -12.673 -5.180 1.00 1.00 H new ATOM 0 HG LEU A 33 -1.512 -11.074 -3.121 1.00 1.00 H new ATOM 0 HD11 LEU A 33 -3.739 -10.454 -2.199 1.00 1.00 H new ATOM 0 HD12 LEU A 33 -3.544 -9.850 -3.861 1.00 1.00 H new ATOM 0 HD13 LEU A 33 -4.530 -11.299 -3.551 1.00 1.00 H new ATOM 0 HD21 LEU A 33 -2.640 -12.576 -1.492 1.00 1.00 H new ATOM 0 HD22 LEU A 33 -3.434 -13.433 -2.835 1.00 1.00 H new ATOM 0 HD23 LEU A 33 -1.665 -13.507 -2.654 1.00 1.00 H new ATOM 555 N ASP A 34 0.313 -13.758 -6.930 1.00 1.00 N ATOM 556 CA ASP A 34 0.605 -14.099 -8.314 1.00 1.00 C ATOM 557 C ASP A 34 -0.474 -14.998 -8.901 1.00 1.00 C ATOM 558 O ASP A 34 -0.915 -14.765 -10.028 1.00 1.00 O ATOM 559 CB ASP A 34 1.960 -14.806 -8.397 1.00 1.00 C ATOM 560 CG ASP A 34 2.258 -15.235 -9.832 1.00 1.00 C ATOM 561 OD1 ASP A 34 1.544 -14.804 -10.721 1.00 1.00 O ATOM 562 OD2 ASP A 34 3.203 -15.984 -10.020 1.00 1.00 O ATOM 0 H ASP A 34 1.002 -14.095 -6.257 1.00 1.00 H new ATOM 0 HA ASP A 34 0.632 -13.175 -8.892 1.00 1.00 H new ATOM 0 HB2 ASP A 34 2.746 -14.140 -8.041 1.00 1.00 H new ATOM 0 HB3 ASP A 34 1.961 -15.678 -7.744 1.00 1.00 H new ATOM 567 N LEU A 35 -0.878 -16.034 -8.135 1.00 1.00 N ATOM 568 CA LEU A 35 -1.902 -16.998 -8.573 1.00 1.00 C ATOM 569 C LEU A 35 -2.725 -16.469 -9.759 1.00 1.00 C ATOM 570 O LEU A 35 -3.800 -15.896 -9.573 1.00 1.00 O ATOM 571 CB LEU A 35 -2.844 -17.333 -7.409 1.00 1.00 C ATOM 572 CG LEU A 35 -3.294 -16.037 -6.676 1.00 1.00 C ATOM 573 CD1 LEU A 35 -4.786 -16.123 -6.338 1.00 1.00 C ATOM 574 CD2 LEU A 35 -2.500 -15.869 -5.374 1.00 1.00 C ATOM 0 H LEU A 35 -0.505 -16.222 -7.204 1.00 1.00 H new ATOM 0 HA LEU A 35 -1.379 -17.897 -8.901 1.00 1.00 H new ATOM 0 HB2 LEU A 35 -3.717 -17.867 -7.783 1.00 1.00 H new ATOM 0 HB3 LEU A 35 -2.341 -17.998 -6.707 1.00 1.00 H new ATOM 0 HG LEU A 35 -3.111 -15.184 -7.330 1.00 1.00 H new ATOM 0 HD11 LEU A 35 -5.096 -15.213 -5.825 1.00 1.00 H new ATOM 0 HD12 LEU A 35 -5.361 -16.235 -7.257 1.00 1.00 H new ATOM 0 HD13 LEU A 35 -4.964 -16.982 -5.692 1.00 1.00 H new ATOM 0 HD21 LEU A 35 -2.821 -14.959 -4.867 1.00 1.00 H new ATOM 0 HD22 LEU A 35 -2.678 -16.727 -4.726 1.00 1.00 H new ATOM 0 HD23 LEU A 35 -1.436 -15.801 -5.603 1.00 1.00 H new ATOM 586 N PRO A 36 -2.225 -16.631 -10.964 1.00 1.00 N ATOM 587 CA PRO A 36 -2.908 -16.143 -12.193 1.00 1.00 C ATOM 588 C PRO A 36 -4.066 -17.050 -12.619 1.00 1.00 C ATOM 589 O PRO A 36 -4.834 -16.710 -13.523 1.00 1.00 O ATOM 590 CB PRO A 36 -1.786 -16.105 -13.247 1.00 1.00 C ATOM 591 CG PRO A 36 -0.769 -17.124 -12.800 1.00 1.00 C ATOM 592 CD PRO A 36 -0.951 -17.313 -11.285 1.00 1.00 C ATOM 0 HA PRO A 36 -3.377 -15.170 -12.044 1.00 1.00 H new ATOM 0 HB2 PRO A 36 -2.172 -16.346 -14.238 1.00 1.00 H new ATOM 0 HB3 PRO A 36 -1.342 -15.111 -13.310 1.00 1.00 H new ATOM 0 HG2 PRO A 36 -0.913 -18.068 -13.326 1.00 1.00 H new ATOM 0 HG3 PRO A 36 0.242 -16.784 -13.027 1.00 1.00 H new ATOM 0 HD2 PRO A 36 -0.992 -18.370 -11.021 1.00 1.00 H new ATOM 0 HD3 PRO A 36 -0.120 -16.878 -10.730 1.00 1.00 H new ATOM 600 N LYS A 37 -4.183 -18.200 -11.961 1.00 1.00 N ATOM 601 CA LYS A 37 -5.249 -19.160 -12.269 1.00 1.00 C ATOM 602 C LYS A 37 -5.241 -19.565 -13.744 1.00 1.00 C ATOM 603 O LYS A 37 -6.098 -19.127 -14.511 1.00 1.00 O ATOM 604 CB LYS A 37 -6.618 -18.554 -11.925 1.00 1.00 C ATOM 605 CG LYS A 37 -6.790 -18.487 -10.405 1.00 1.00 C ATOM 606 CD LYS A 37 -8.174 -17.922 -10.066 1.00 1.00 C ATOM 607 CE LYS A 37 -8.392 -17.974 -8.550 1.00 1.00 C ATOM 608 NZ LYS A 37 -7.398 -17.096 -7.875 1.00 1.00 N ATOM 0 H LYS A 37 -3.556 -18.493 -11.212 1.00 1.00 H new ATOM 0 HA LYS A 37 -5.068 -20.050 -11.667 1.00 1.00 H new ATOM 0 HB2 LYS A 37 -6.702 -17.555 -12.354 1.00 1.00 H new ATOM 0 HB3 LYS A 37 -7.413 -19.157 -12.364 1.00 1.00 H new ATOM 0 HG2 LYS A 37 -6.676 -19.481 -9.972 1.00 1.00 H new ATOM 0 HG3 LYS A 37 -6.013 -17.859 -9.969 1.00 1.00 H new ATOM 0 HD2 LYS A 37 -8.255 -16.894 -10.420 1.00 1.00 H new ATOM 0 HD3 LYS A 37 -8.948 -18.497 -10.575 1.00 1.00 H new ATOM 0 HE2 LYS A 37 -9.404 -17.650 -8.306 1.00 1.00 H new ATOM 0 HE3 LYS A 37 -8.290 -18.999 -8.192 1.00 1.00 H new ATOM 0 HZ1 LYS A 37 -7.875 -16.528 -7.146 1.00 1.00 H new ATOM 0 HZ2 LYS A 37 -6.663 -17.682 -7.431 1.00 1.00 H new ATOM 0 HZ3 LYS A 37 -6.961 -16.464 -8.576 1.00 1.00 H new ATOM 622 N GLU A 38 -4.286 -20.417 -14.144 1.00 1.00 N ATOM 623 CA GLU A 38 -4.209 -20.874 -15.530 1.00 1.00 C ATOM 624 C GLU A 38 -3.737 -22.326 -15.572 1.00 1.00 C ATOM 625 O GLU A 38 -3.247 -22.857 -14.575 1.00 1.00 O ATOM 626 CB GLU A 38 -3.252 -19.984 -16.337 1.00 1.00 C ATOM 627 CG GLU A 38 -3.823 -18.563 -16.473 1.00 1.00 C ATOM 628 CD GLU A 38 -5.137 -18.587 -17.254 1.00 1.00 C ATOM 629 OE1 GLU A 38 -5.362 -19.552 -17.965 1.00 1.00 O ATOM 630 OE2 GLU A 38 -5.895 -17.639 -17.130 1.00 1.00 O ATOM 0 H GLU A 38 -3.565 -20.798 -13.531 1.00 1.00 H new ATOM 0 HA GLU A 38 -5.201 -20.808 -15.976 1.00 1.00 H new ATOM 0 HB2 GLU A 38 -2.280 -19.946 -15.845 1.00 1.00 H new ATOM 0 HB3 GLU A 38 -3.093 -20.414 -17.326 1.00 1.00 H new ATOM 0 HG2 GLU A 38 -3.988 -18.135 -15.484 1.00 1.00 H new ATOM 0 HG3 GLU A 38 -3.103 -17.922 -16.981 1.00 1.00 H new ATOM 637 N ILE A 39 -3.900 -22.969 -16.726 1.00 1.00 N ATOM 638 CA ILE A 39 -3.501 -24.363 -16.873 1.00 1.00 C ATOM 639 C ILE A 39 -1.996 -24.517 -16.655 1.00 1.00 C ATOM 640 O ILE A 39 -1.504 -25.616 -16.395 1.00 1.00 O ATOM 641 CB ILE A 39 -3.876 -24.881 -18.275 1.00 1.00 C ATOM 642 CG1 ILE A 39 -5.399 -24.886 -18.443 1.00 1.00 C ATOM 643 CG2 ILE A 39 -3.350 -26.308 -18.461 1.00 1.00 C ATOM 644 CD1 ILE A 39 -5.747 -25.120 -19.918 1.00 1.00 C ATOM 0 H ILE A 39 -4.302 -22.550 -17.565 1.00 1.00 H new ATOM 0 HA ILE A 39 -4.029 -24.949 -16.121 1.00 1.00 H new ATOM 0 HB ILE A 39 -3.429 -24.224 -19.021 1.00 1.00 H new ATOM 0 HG12 ILE A 39 -5.842 -25.667 -17.825 1.00 1.00 H new ATOM 0 HG13 ILE A 39 -5.816 -23.937 -18.105 1.00 1.00 H new ATOM 0 HG21 ILE A 39 -3.619 -26.668 -19.454 1.00 1.00 H new ATOM 0 HG22 ILE A 39 -2.265 -26.313 -18.354 1.00 1.00 H new ATOM 0 HG23 ILE A 39 -3.792 -26.960 -17.707 1.00 1.00 H new ATOM 0 HD11 ILE A 39 -6.830 -25.124 -20.040 1.00 1.00 H new ATOM 0 HD12 ILE A 39 -5.316 -24.323 -20.524 1.00 1.00 H new ATOM 0 HD13 ILE A 39 -5.342 -26.080 -20.240 1.00 1.00 H new ATOM 656 N GLY A 40 -1.277 -23.407 -16.777 1.00 1.00 N ATOM 657 CA GLY A 40 0.174 -23.411 -16.605 1.00 1.00 C ATOM 658 C GLY A 40 0.581 -23.871 -15.206 1.00 1.00 C ATOM 659 O GLY A 40 -0.226 -23.850 -14.276 1.00 1.00 O ATOM 0 H GLY A 40 -1.673 -22.493 -16.994 1.00 1.00 H new ATOM 0 HA2 GLY A 40 0.626 -24.067 -17.349 1.00 1.00 H new ATOM 0 HA3 GLY A 40 0.564 -22.409 -16.785 1.00 1.00 H new ATOM 663 N GLY A 41 1.843 -24.283 -15.066 1.00 1.00 N ATOM 664 CA GLY A 41 2.352 -24.742 -13.775 1.00 1.00 C ATOM 665 C GLY A 41 3.737 -25.370 -13.919 1.00 1.00 C ATOM 666 O GLY A 41 4.694 -24.699 -14.311 1.00 1.00 O ATOM 0 H GLY A 41 2.525 -24.308 -15.824 1.00 1.00 H new ATOM 0 HA2 GLY A 41 2.401 -23.903 -13.081 1.00 1.00 H new ATOM 0 HA3 GLY A 41 1.662 -25.470 -13.347 1.00 1.00 H new ATOM 670 N ARG A 42 3.847 -26.662 -13.586 1.00 1.00 N ATOM 671 CA ARG A 42 5.129 -27.375 -13.665 1.00 1.00 C ATOM 672 C ARG A 42 5.015 -28.638 -14.512 1.00 1.00 C ATOM 673 O ARG A 42 3.928 -29.184 -14.695 1.00 1.00 O ATOM 674 CB ARG A 42 5.597 -27.743 -12.250 1.00 1.00 C ATOM 675 CG ARG A 42 5.796 -26.466 -11.412 1.00 1.00 C ATOM 676 CD ARG A 42 7.185 -25.874 -11.673 1.00 1.00 C ATOM 677 NE ARG A 42 8.215 -26.842 -11.321 1.00 1.00 N ATOM 678 CZ ARG A 42 8.613 -26.993 -10.062 1.00 1.00 C ATOM 679 NH1 ARG A 42 8.069 -26.275 -9.115 1.00 1.00 N ATOM 680 NH2 ARG A 42 9.547 -27.859 -9.769 1.00 1.00 N ATOM 0 H ARG A 42 3.067 -27.234 -13.260 1.00 1.00 H new ATOM 0 HA ARG A 42 5.856 -26.716 -14.140 1.00 1.00 H new ATOM 0 HB2 ARG A 42 4.862 -28.391 -11.772 1.00 1.00 H new ATOM 0 HB3 ARG A 42 6.530 -28.303 -12.301 1.00 1.00 H new ATOM 0 HG2 ARG A 42 5.028 -25.734 -11.662 1.00 1.00 H new ATOM 0 HG3 ARG A 42 5.684 -26.696 -10.353 1.00 1.00 H new ATOM 0 HD2 ARG A 42 7.279 -25.596 -12.723 1.00 1.00 H new ATOM 0 HD3 ARG A 42 7.316 -24.963 -11.089 1.00 1.00 H new ATOM 0 HE ARG A 42 8.638 -27.413 -12.053 1.00 1.00 H new ATOM 0 HH11 ARG A 42 7.340 -25.599 -9.342 1.00 1.00 H new ATOM 0 HH12 ARG A 42 8.374 -26.390 -8.149 1.00 1.00 H new ATOM 0 HH21 ARG A 42 9.972 -28.420 -10.507 1.00 1.00 H new ATOM 0 HH22 ARG A 42 9.851 -27.973 -8.802 1.00 1.00 H new ATOM 694 N ASN A 43 6.157 -29.087 -15.029 1.00 1.00 N ATOM 695 CA ASN A 43 6.202 -30.282 -15.863 1.00 1.00 C ATOM 696 C ASN A 43 5.277 -30.139 -17.069 1.00 1.00 C ATOM 697 O ASN A 43 4.586 -31.086 -17.447 1.00 1.00 O ATOM 698 CB ASN A 43 5.797 -31.506 -15.039 1.00 1.00 C ATOM 699 CG ASN A 43 6.130 -32.786 -15.798 1.00 1.00 C ATOM 700 OD1 ASN A 43 6.237 -32.773 -17.024 1.00 1.00 O ATOM 701 ND2 ASN A 43 6.308 -33.897 -15.134 1.00 1.00 N ATOM 0 H ASN A 43 7.062 -28.640 -14.884 1.00 1.00 H new ATOM 0 HA ASN A 43 7.222 -30.410 -16.226 1.00 1.00 H new ATOM 0 HB2 ASN A 43 6.317 -31.497 -14.081 1.00 1.00 H new ATOM 0 HB3 ASN A 43 4.729 -31.470 -14.822 1.00 1.00 H new ATOM 0 HD21 ASN A 43 6.537 -34.758 -15.632 1.00 1.00 H new ATOM 0 HD22 ASN A 43 6.219 -33.904 -14.118 1.00 1.00 H new ATOM 708 N GLY A 44 5.270 -28.950 -17.673 1.00 1.00 N ATOM 709 CA GLY A 44 4.426 -28.682 -18.845 1.00 1.00 C ATOM 710 C GLY A 44 5.227 -27.997 -19.951 1.00 1.00 C ATOM 711 O GLY A 44 4.978 -26.841 -20.287 1.00 1.00 O ATOM 0 H GLY A 44 5.837 -28.157 -17.373 1.00 1.00 H new ATOM 0 HA2 GLY A 44 4.009 -29.617 -19.219 1.00 1.00 H new ATOM 0 HA3 GLY A 44 3.585 -28.051 -18.556 1.00 1.00 H new ATOM 715 N PRO A 45 6.182 -28.689 -20.515 1.00 1.00 N ATOM 716 CA PRO A 45 7.045 -28.144 -21.610 1.00 1.00 C ATOM 717 C PRO A 45 6.355 -28.194 -22.980 1.00 1.00 C ATOM 718 O PRO A 45 5.551 -27.320 -23.313 1.00 1.00 O ATOM 719 CB PRO A 45 8.267 -29.072 -21.567 1.00 1.00 C ATOM 720 CG PRO A 45 7.713 -30.394 -21.130 1.00 1.00 C ATOM 721 CD PRO A 45 6.554 -30.079 -20.174 1.00 1.00 C ATOM 0 HA PRO A 45 7.287 -27.090 -21.470 1.00 1.00 H new ATOM 0 HB2 PRO A 45 8.746 -29.145 -22.543 1.00 1.00 H new ATOM 0 HB3 PRO A 45 9.020 -28.706 -20.869 1.00 1.00 H new ATOM 0 HG2 PRO A 45 7.365 -30.972 -21.986 1.00 1.00 H new ATOM 0 HG3 PRO A 45 8.477 -30.991 -20.632 1.00 1.00 H new ATOM 0 HD2 PRO A 45 5.718 -30.764 -20.319 1.00 1.00 H new ATOM 0 HD3 PRO A 45 6.860 -30.167 -19.132 1.00 1.00 H new ATOM 729 N GLU A 46 6.674 -29.227 -23.760 1.00 1.00 N ATOM 730 CA GLU A 46 6.087 -29.407 -25.089 1.00 1.00 C ATOM 731 C GLU A 46 6.620 -28.369 -26.086 1.00 1.00 C ATOM 732 O GLU A 46 5.868 -27.526 -26.574 1.00 1.00 O ATOM 733 CB GLU A 46 4.555 -29.307 -25.000 1.00 1.00 C ATOM 734 CG GLU A 46 3.905 -30.044 -26.178 1.00 1.00 C ATOM 735 CD GLU A 46 4.362 -29.433 -27.497 1.00 1.00 C ATOM 736 OE1 GLU A 46 5.427 -29.804 -27.960 1.00 1.00 O ATOM 737 OE2 GLU A 46 3.643 -28.600 -28.023 1.00 1.00 O ATOM 0 H GLU A 46 7.338 -29.954 -23.494 1.00 1.00 H new ATOM 0 HA GLU A 46 6.371 -30.395 -25.450 1.00 1.00 H new ATOM 0 HB2 GLU A 46 4.210 -29.735 -24.059 1.00 1.00 H new ATOM 0 HB3 GLU A 46 4.251 -28.260 -25.004 1.00 1.00 H new ATOM 0 HG2 GLU A 46 4.171 -31.101 -26.147 1.00 1.00 H new ATOM 0 HG3 GLU A 46 2.819 -29.986 -26.099 1.00 1.00 H new ATOM 744 N PRO A 47 7.895 -28.412 -26.394 1.00 1.00 N ATOM 745 CA PRO A 47 8.514 -27.453 -27.360 1.00 1.00 C ATOM 746 C PRO A 47 8.076 -27.718 -28.807 1.00 1.00 C ATOM 747 O PRO A 47 7.984 -26.791 -29.612 1.00 1.00 O ATOM 748 CB PRO A 47 10.025 -27.683 -27.181 1.00 1.00 C ATOM 749 CG PRO A 47 10.147 -29.093 -26.687 1.00 1.00 C ATOM 750 CD PRO A 47 8.885 -29.372 -25.867 1.00 1.00 C ATOM 0 HA PRO A 47 8.212 -26.424 -27.167 1.00 1.00 H new ATOM 0 HB2 PRO A 47 10.559 -27.547 -28.121 1.00 1.00 H new ATOM 0 HB3 PRO A 47 10.450 -26.977 -26.468 1.00 1.00 H new ATOM 0 HG2 PRO A 47 10.231 -29.791 -27.520 1.00 1.00 H new ATOM 0 HG3 PRO A 47 11.042 -29.215 -26.077 1.00 1.00 H new ATOM 0 HD2 PRO A 47 8.548 -30.401 -25.991 1.00 1.00 H new ATOM 0 HD3 PRO A 47 9.060 -29.220 -24.802 1.00 1.00 H new ATOM 758 N VAL A 48 7.821 -28.988 -29.137 1.00 1.00 N ATOM 759 CA VAL A 48 7.409 -29.359 -30.502 1.00 1.00 C ATOM 760 C VAL A 48 5.929 -29.755 -30.542 1.00 1.00 C ATOM 761 O VAL A 48 5.548 -30.827 -30.070 1.00 1.00 O ATOM 762 CB VAL A 48 8.269 -30.528 -30.998 1.00 1.00 C ATOM 763 CG1 VAL A 48 7.935 -30.826 -32.458 1.00 1.00 C ATOM 764 CG2 VAL A 48 9.750 -30.158 -30.885 1.00 1.00 C ATOM 0 H VAL A 48 7.890 -29.772 -28.488 1.00 1.00 H new ATOM 0 HA VAL A 48 7.550 -28.495 -31.151 1.00 1.00 H new ATOM 0 HB VAL A 48 8.064 -31.409 -30.389 1.00 1.00 H new ATOM 0 HG11 VAL A 48 8.547 -31.657 -32.809 1.00 1.00 H new ATOM 0 HG12 VAL A 48 6.881 -31.090 -32.544 1.00 1.00 H new ATOM 0 HG13 VAL A 48 8.138 -29.944 -33.065 1.00 1.00 H new ATOM 0 HG21 VAL A 48 10.361 -30.989 -31.238 1.00 1.00 H new ATOM 0 HG22 VAL A 48 9.952 -29.276 -31.493 1.00 1.00 H new ATOM 0 HG23 VAL A 48 9.993 -29.945 -29.844 1.00 1.00 H new ATOM 774 N ARG A 49 5.102 -28.876 -31.112 1.00 1.00 N ATOM 775 CA ARG A 49 3.665 -29.133 -31.211 1.00 1.00 C ATOM 776 C ARG A 49 3.389 -30.356 -32.094 1.00 1.00 C ATOM 777 O ARG A 49 2.528 -31.177 -31.777 1.00 1.00 O ATOM 778 CB ARG A 49 2.946 -27.901 -31.782 1.00 1.00 C ATOM 779 CG ARG A 49 1.431 -28.146 -31.790 1.00 1.00 C ATOM 780 CD ARG A 49 0.690 -26.906 -32.305 1.00 1.00 C ATOM 781 NE ARG A 49 -0.749 -27.098 -32.154 1.00 1.00 N ATOM 782 CZ ARG A 49 -1.630 -26.181 -32.562 1.00 1.00 C ATOM 783 NH1 ARG A 49 -1.225 -25.070 -33.118 1.00 1.00 N ATOM 784 NH2 ARG A 49 -2.911 -26.397 -32.409 1.00 1.00 N ATOM 0 H ARG A 49 5.401 -27.985 -31.510 1.00 1.00 H new ATOM 0 HA ARG A 49 3.285 -29.338 -30.210 1.00 1.00 H new ATOM 0 HB2 ARG A 49 3.179 -27.021 -31.182 1.00 1.00 H new ATOM 0 HB3 ARG A 49 3.297 -27.699 -32.794 1.00 1.00 H new ATOM 0 HG2 ARG A 49 1.199 -29.004 -32.421 1.00 1.00 H new ATOM 0 HG3 ARG A 49 1.090 -28.389 -30.783 1.00 1.00 H new ATOM 0 HD2 ARG A 49 1.009 -26.023 -31.751 1.00 1.00 H new ATOM 0 HD3 ARG A 49 0.936 -26.732 -33.352 1.00 1.00 H new ATOM 0 HE ARG A 49 -1.092 -27.957 -31.724 1.00 1.00 H new ATOM 0 HH11 ARG A 49 -0.228 -24.897 -33.244 1.00 1.00 H new ATOM 0 HH12 ARG A 49 -1.906 -24.376 -33.426 1.00 1.00 H new ATOM 0 HH21 ARG A 49 -3.234 -27.264 -31.979 1.00 1.00 H new ATOM 0 HH22 ARG A 49 -3.587 -25.699 -32.719 1.00 1.00 H new ATOM 798 N PHE A 50 4.118 -30.462 -33.203 1.00 1.00 N ATOM 799 CA PHE A 50 3.943 -31.581 -34.130 1.00 1.00 C ATOM 800 C PHE A 50 2.501 -31.639 -34.634 1.00 1.00 C ATOM 801 O PHE A 50 2.118 -32.567 -35.346 1.00 1.00 O ATOM 802 CB PHE A 50 4.309 -32.905 -33.450 1.00 1.00 C ATOM 803 CG PHE A 50 4.192 -34.040 -34.445 1.00 1.00 C ATOM 804 CD1 PHE A 50 5.170 -34.210 -35.435 1.00 1.00 C ATOM 805 CD2 PHE A 50 3.105 -34.923 -34.381 1.00 1.00 C ATOM 806 CE1 PHE A 50 5.060 -35.259 -36.359 1.00 1.00 C ATOM 807 CE2 PHE A 50 2.996 -35.971 -35.304 1.00 1.00 C ATOM 808 CZ PHE A 50 3.974 -36.138 -36.292 1.00 1.00 C ATOM 0 H PHE A 50 4.833 -29.790 -33.482 1.00 1.00 H new ATOM 0 HA PHE A 50 4.608 -31.425 -34.979 1.00 1.00 H new ATOM 0 HB2 PHE A 50 5.325 -32.855 -33.059 1.00 1.00 H new ATOM 0 HB3 PHE A 50 3.649 -33.083 -32.601 1.00 1.00 H new ATOM 0 HD1 PHE A 50 6.009 -33.532 -35.486 1.00 1.00 H new ATOM 0 HD2 PHE A 50 2.351 -34.795 -33.619 1.00 1.00 H new ATOM 0 HE1 PHE A 50 5.813 -35.388 -37.122 1.00 1.00 H new ATOM 0 HE2 PHE A 50 2.158 -36.650 -35.254 1.00 1.00 H new ATOM 0 HZ PHE A 50 3.890 -36.946 -37.003 1.00 1.00 H new ATOM 818 N GLY A 51 1.710 -30.632 -34.262 1.00 1.00 N ATOM 819 CA GLY A 51 0.310 -30.563 -34.680 1.00 1.00 C ATOM 820 C GLY A 51 0.179 -29.898 -36.053 1.00 1.00 C ATOM 821 O GLY A 51 -0.909 -29.846 -36.628 1.00 1.00 O ATOM 0 H GLY A 51 2.014 -29.856 -33.674 1.00 1.00 H new ATOM 0 HA2 GLY A 51 -0.112 -31.567 -34.717 1.00 1.00 H new ATOM 0 HA3 GLY A 51 -0.266 -30.002 -33.944 1.00 1.00 H new ATOM 825 N ASP A 52 1.298 -29.404 -36.571 1.00 1.00 N ATOM 826 CA ASP A 52 1.319 -28.754 -37.882 1.00 1.00 C ATOM 827 C ASP A 52 0.134 -27.802 -38.059 1.00 1.00 C ATOM 828 O ASP A 52 0.173 -26.664 -37.594 1.00 1.00 O ATOM 829 CB ASP A 52 1.302 -29.823 -38.978 1.00 1.00 C ATOM 830 CG ASP A 52 2.646 -30.547 -39.014 1.00 1.00 C ATOM 831 OD1 ASP A 52 3.585 -30.044 -38.415 1.00 1.00 O ATOM 832 OD2 ASP A 52 2.720 -31.594 -39.635 1.00 1.00 O ATOM 0 H ASP A 52 2.205 -29.440 -36.105 1.00 1.00 H new ATOM 0 HA ASP A 52 2.231 -28.161 -37.955 1.00 1.00 H new ATOM 0 HB2 ASP A 52 0.499 -30.536 -38.791 1.00 1.00 H new ATOM 0 HB3 ASP A 52 1.100 -29.362 -39.945 1.00 1.00 H new ATOM 837 N TRP A 53 -0.914 -28.270 -38.740 1.00 1.00 N ATOM 838 CA TRP A 53 -2.103 -27.446 -38.977 1.00 1.00 C ATOM 839 C TRP A 53 -1.718 -25.998 -39.294 1.00 1.00 C ATOM 840 O TRP A 53 -2.069 -25.076 -38.558 1.00 1.00 O ATOM 841 CB TRP A 53 -3.000 -27.476 -37.737 1.00 1.00 C ATOM 842 CG TRP A 53 -4.297 -26.785 -38.024 1.00 1.00 C ATOM 843 CD1 TRP A 53 -4.641 -25.552 -37.581 1.00 1.00 C ATOM 844 CD2 TRP A 53 -5.430 -27.271 -38.799 1.00 1.00 C ATOM 845 NE1 TRP A 53 -5.911 -25.252 -38.039 1.00 1.00 N ATOM 846 CE2 TRP A 53 -6.439 -26.279 -38.794 1.00 1.00 C ATOM 847 CE3 TRP A 53 -5.675 -28.463 -39.502 1.00 1.00 C ATOM 848 CZ2 TRP A 53 -7.652 -26.466 -39.461 1.00 1.00 C ATOM 849 CZ3 TRP A 53 -6.893 -28.654 -40.173 1.00 1.00 C ATOM 850 CH2 TRP A 53 -7.877 -27.658 -40.155 1.00 1.00 C ATOM 0 H TRP A 53 -0.965 -29.209 -39.135 1.00 1.00 H new ATOM 0 HA TRP A 53 -2.637 -27.854 -39.835 1.00 1.00 H new ATOM 0 HB2 TRP A 53 -3.187 -28.508 -37.438 1.00 1.00 H new ATOM 0 HB3 TRP A 53 -2.496 -26.989 -36.902 1.00 1.00 H new ATOM 0 HD1 TRP A 53 -4.025 -24.909 -36.970 1.00 1.00 H new ATOM 0 HE1 TRP A 53 -6.398 -24.378 -37.842 1.00 1.00 H new ATOM 0 HE3 TRP A 53 -4.922 -29.237 -39.526 1.00 1.00 H new ATOM 0 HZ2 TRP A 53 -8.409 -25.696 -39.441 1.00 1.00 H new ATOM 0 HZ3 TRP A 53 -7.072 -29.576 -40.707 1.00 1.00 H new ATOM 0 HH2 TRP A 53 -8.810 -27.811 -40.677 1.00 1.00 H new ATOM 861 N GLU A 54 -0.997 -25.807 -40.397 1.00 1.00 N ATOM 862 CA GLU A 54 -0.570 -24.473 -40.802 1.00 1.00 C ATOM 863 C GLU A 54 -1.766 -23.617 -41.218 1.00 1.00 C ATOM 864 O GLU A 54 -1.804 -22.416 -40.943 1.00 1.00 O ATOM 865 CB GLU A 54 0.431 -24.570 -41.960 1.00 1.00 C ATOM 866 CG GLU A 54 -0.254 -25.154 -43.200 1.00 1.00 C ATOM 867 CD GLU A 54 0.771 -25.358 -44.310 1.00 1.00 C ATOM 868 OE1 GLU A 54 1.689 -24.557 -44.398 1.00 1.00 O ATOM 869 OE2 GLU A 54 0.623 -26.310 -45.058 1.00 1.00 O ATOM 0 H GLU A 54 -0.698 -26.556 -41.022 1.00 1.00 H new ATOM 0 HA GLU A 54 -0.088 -23.997 -39.948 1.00 1.00 H new ATOM 0 HB2 GLU A 54 0.832 -23.583 -42.188 1.00 1.00 H new ATOM 0 HB3 GLU A 54 1.274 -25.198 -41.671 1.00 1.00 H new ATOM 0 HG2 GLU A 54 -0.728 -26.104 -42.951 1.00 1.00 H new ATOM 0 HG3 GLU A 54 -1.043 -24.483 -43.540 1.00 1.00 H new ATOM 876 N LYS A 55 -2.741 -24.236 -41.888 1.00 1.00 N ATOM 877 CA LYS A 55 -3.926 -23.507 -42.337 1.00 1.00 C ATOM 878 C LYS A 55 -5.112 -24.457 -42.561 1.00 1.00 C ATOM 879 O LYS A 55 -5.981 -24.584 -41.698 1.00 1.00 O ATOM 880 CB LYS A 55 -3.601 -22.754 -43.637 1.00 1.00 C ATOM 881 CG LYS A 55 -4.728 -21.754 -43.978 1.00 1.00 C ATOM 882 CD LYS A 55 -4.497 -20.430 -43.235 1.00 1.00 C ATOM 883 CE LYS A 55 -5.553 -19.409 -43.655 1.00 1.00 C ATOM 884 NZ LYS A 55 -5.316 -18.133 -42.923 1.00 1.00 N ATOM 0 H LYS A 55 -2.733 -25.227 -42.128 1.00 1.00 H new ATOM 0 HA LYS A 55 -4.209 -22.796 -41.561 1.00 1.00 H new ATOM 0 HB2 LYS A 55 -2.655 -22.223 -43.530 1.00 1.00 H new ATOM 0 HB3 LYS A 55 -3.477 -23.464 -44.455 1.00 1.00 H new ATOM 0 HG2 LYS A 55 -4.756 -21.577 -45.053 1.00 1.00 H new ATOM 0 HG3 LYS A 55 -5.695 -22.173 -43.699 1.00 1.00 H new ATOM 0 HD2 LYS A 55 -4.544 -20.594 -42.158 1.00 1.00 H new ATOM 0 HD3 LYS A 55 -3.500 -20.048 -43.456 1.00 1.00 H new ATOM 0 HE2 LYS A 55 -5.505 -19.240 -44.731 1.00 1.00 H new ATOM 0 HE3 LYS A 55 -6.551 -19.788 -43.436 1.00 1.00 H new ATOM 0 HZ1 LYS A 55 -6.032 -17.433 -43.205 1.00 1.00 H new ATOM 0 HZ2 LYS A 55 -5.382 -18.303 -41.899 1.00 1.00 H new ATOM 0 HZ3 LYS A 55 -4.369 -17.771 -43.154 1.00 1.00 H new ATOM 898 N LYS A 56 -5.146 -25.113 -43.722 1.00 1.00 N ATOM 899 CA LYS A 56 -6.236 -26.039 -44.046 1.00 1.00 C ATOM 900 C LYS A 56 -7.593 -25.408 -43.736 1.00 1.00 C ATOM 901 O LYS A 56 -8.096 -25.510 -42.617 1.00 1.00 O ATOM 902 CB LYS A 56 -6.084 -27.342 -43.249 1.00 1.00 C ATOM 903 CG LYS A 56 -4.707 -27.967 -43.515 1.00 1.00 C ATOM 904 CD LYS A 56 -4.598 -28.414 -44.981 1.00 1.00 C ATOM 905 CE LYS A 56 -3.467 -29.435 -45.131 1.00 1.00 C ATOM 906 NZ LYS A 56 -3.929 -30.762 -44.642 1.00 1.00 N ATOM 0 H LYS A 56 -4.437 -25.022 -44.450 1.00 1.00 H new ATOM 0 HA LYS A 56 -6.184 -26.260 -45.112 1.00 1.00 H new ATOM 0 HB2 LYS A 56 -6.201 -27.142 -42.184 1.00 1.00 H new ATOM 0 HB3 LYS A 56 -6.870 -28.043 -43.530 1.00 1.00 H new ATOM 0 HG2 LYS A 56 -3.923 -27.245 -43.289 1.00 1.00 H new ATOM 0 HG3 LYS A 56 -4.554 -28.821 -42.855 1.00 1.00 H new ATOM 0 HD2 LYS A 56 -5.541 -28.852 -45.308 1.00 1.00 H new ATOM 0 HD3 LYS A 56 -4.409 -27.552 -45.620 1.00 1.00 H new ATOM 0 HE2 LYS A 56 -3.163 -29.506 -46.175 1.00 1.00 H new ATOM 0 HE3 LYS A 56 -2.593 -29.111 -44.566 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 -3.283 -31.502 -44.983 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 -3.939 -30.764 -43.602 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 -4.888 -30.949 -44.998 1.00 1.00 H new ATOM 920 N GLY A 57 -8.182 -24.764 -44.743 1.00 1.00 N ATOM 921 CA GLY A 57 -9.483 -24.123 -44.576 1.00 1.00 C ATOM 922 C GLY A 57 -9.909 -23.404 -45.851 1.00 1.00 C ATOM 923 O GLY A 57 -11.004 -23.630 -46.369 1.00 1.00 O ATOM 0 H GLY A 57 -7.781 -24.673 -45.677 1.00 1.00 H new ATOM 0 HA2 GLY A 57 -10.229 -24.872 -44.311 1.00 1.00 H new ATOM 0 HA3 GLY A 57 -9.438 -23.412 -43.751 1.00 1.00 H new ATOM 927 N ILE A 58 -9.036 -22.533 -46.357 1.00 1.00 N ATOM 928 CA ILE A 58 -9.326 -21.781 -47.576 1.00 1.00 C ATOM 929 C ILE A 58 -8.802 -22.525 -48.802 1.00 1.00 C ATOM 930 O ILE A 58 -9.085 -22.145 -49.938 1.00 1.00 O ATOM 931 CB ILE A 58 -8.682 -20.393 -47.495 1.00 1.00 C ATOM 932 CG1 ILE A 58 -7.177 -20.535 -47.248 1.00 1.00 C ATOM 933 CG2 ILE A 58 -9.311 -19.603 -46.345 1.00 1.00 C ATOM 934 CD1 ILE A 58 -6.523 -19.154 -47.311 1.00 1.00 C ATOM 0 H ILE A 58 -8.126 -22.332 -45.943 1.00 1.00 H new ATOM 0 HA ILE A 58 -10.407 -21.673 -47.670 1.00 1.00 H new ATOM 0 HB ILE A 58 -8.847 -19.866 -48.435 1.00 1.00 H new ATOM 0 HG12 ILE A 58 -6.998 -20.991 -46.274 1.00 1.00 H new ATOM 0 HG13 ILE A 58 -6.735 -21.194 -47.995 1.00 1.00 H new ATOM 0 HG21 ILE A 58 -8.852 -18.616 -46.288 1.00 1.00 H new ATOM 0 HG22 ILE A 58 -10.382 -19.496 -46.520 1.00 1.00 H new ATOM 0 HG23 ILE A 58 -9.148 -20.134 -45.407 1.00 1.00 H new ATOM 0 HD11 ILE A 58 -5.452 -19.250 -47.136 1.00 1.00 H new ATOM 0 HD12 ILE A 58 -6.692 -18.716 -48.295 1.00 1.00 H new ATOM 0 HD13 ILE A 58 -6.959 -18.510 -46.547 1.00 1.00 H new ATOM 946 N ALA A 59 -8.030 -23.589 -48.562 1.00 1.00 N ATOM 947 CA ALA A 59 -7.459 -24.385 -49.649 1.00 1.00 C ATOM 948 C ALA A 59 -7.541 -25.876 -49.319 1.00 1.00 C ATOM 949 O ALA A 59 -6.599 -26.626 -49.572 1.00 1.00 O ATOM 950 CB ALA A 59 -5.997 -23.991 -49.864 1.00 1.00 C ATOM 0 H ALA A 59 -7.787 -23.917 -47.627 1.00 1.00 H new ATOM 0 HA ALA A 59 -8.028 -24.192 -50.558 1.00 1.00 H new ATOM 0 HB1 ALA A 59 -5.575 -24.586 -50.674 1.00 1.00 H new ATOM 0 HB2 ALA A 59 -5.939 -22.934 -50.122 1.00 1.00 H new ATOM 0 HB3 ALA A 59 -5.433 -24.172 -48.949 1.00 1.00 H new ATOM 956 N ILE A 60 -8.669 -26.295 -48.740 1.00 1.00 N ATOM 957 CA ILE A 60 -8.866 -27.699 -48.366 1.00 1.00 C ATOM 958 C ILE A 60 -8.348 -28.639 -49.458 1.00 1.00 C ATOM 959 O ILE A 60 -9.089 -29.046 -50.353 1.00 1.00 O ATOM 960 CB ILE A 60 -10.357 -27.961 -48.115 1.00 1.00 C ATOM 961 CG1 ILE A 60 -10.825 -27.118 -46.925 1.00 1.00 C ATOM 962 CG2 ILE A 60 -10.579 -29.442 -47.798 1.00 1.00 C ATOM 963 CD1 ILE A 60 -12.353 -27.158 -46.838 1.00 1.00 C ATOM 0 H ILE A 60 -9.457 -25.686 -48.520 1.00 1.00 H new ATOM 0 HA ILE A 60 -8.301 -27.895 -47.455 1.00 1.00 H new ATOM 0 HB ILE A 60 -10.923 -27.693 -49.007 1.00 1.00 H new ATOM 0 HG12 ILE A 60 -10.388 -27.499 -46.002 1.00 1.00 H new ATOM 0 HG13 ILE A 60 -10.484 -26.089 -47.038 1.00 1.00 H new ATOM 0 HG21 ILE A 60 -11.639 -29.621 -47.621 1.00 1.00 H new ATOM 0 HG22 ILE A 60 -10.244 -30.048 -48.640 1.00 1.00 H new ATOM 0 HG23 ILE A 60 -10.012 -29.712 -46.907 1.00 1.00 H new ATOM 0 HD11 ILE A 60 -12.685 -26.558 -45.991 1.00 1.00 H new ATOM 0 HD12 ILE A 60 -12.780 -26.757 -47.757 1.00 1.00 H new ATOM 0 HD13 ILE A 60 -12.683 -28.188 -46.704 1.00 1.00 H new ATOM 975 N ASP A 61 -7.061 -28.969 -49.373 1.00 1.00 N ATOM 976 CA ASP A 61 -6.420 -29.851 -50.347 1.00 1.00 C ATOM 977 C ASP A 61 -6.992 -31.270 -50.284 1.00 1.00 C ATOM 978 O ASP A 61 -7.174 -31.917 -51.315 1.00 1.00 O ATOM 979 CB ASP A 61 -4.912 -29.887 -50.082 1.00 1.00 C ATOM 980 CG ASP A 61 -4.185 -30.564 -51.240 1.00 1.00 C ATOM 981 OD1 ASP A 61 -4.758 -30.631 -52.316 1.00 1.00 O ATOM 982 OD2 ASP A 61 -3.065 -31.006 -51.035 1.00 1.00 O ATOM 0 H ASP A 61 -6.439 -28.637 -48.636 1.00 1.00 H new ATOM 0 HA ASP A 61 -6.616 -29.458 -51.345 1.00 1.00 H new ATOM 0 HB2 ASP A 61 -4.535 -28.873 -49.951 1.00 1.00 H new ATOM 0 HB3 ASP A 61 -4.712 -30.424 -49.155 1.00 1.00 H new ATOM 987 N PHE A 62 -7.265 -31.751 -49.070 1.00 1.00 N ATOM 988 CA PHE A 62 -7.812 -33.104 -48.887 1.00 1.00 C ATOM 989 C PHE A 62 -9.317 -33.053 -48.642 1.00 1.00 C ATOM 990 O PHE A 62 -9.714 -33.166 -47.494 1.00 1.00 O ATOM 991 CB PHE A 62 -7.137 -33.780 -47.690 1.00 1.00 C ATOM 992 CG PHE A 62 -5.681 -34.045 -47.994 1.00 1.00 C ATOM 993 CD1 PHE A 62 -5.297 -35.233 -48.628 1.00 1.00 C ATOM 994 CD2 PHE A 62 -4.710 -33.106 -47.626 1.00 1.00 C ATOM 995 CE1 PHE A 62 -3.943 -35.481 -48.893 1.00 1.00 C ATOM 996 CE2 PHE A 62 -3.357 -33.351 -47.893 1.00 1.00 C ATOM 997 CZ PHE A 62 -2.974 -34.540 -48.526 1.00 1.00 C ATOM 0 H PHE A 62 -7.119 -31.232 -48.204 1.00 1.00 H new ATOM 0 HA PHE A 62 -7.619 -33.673 -49.796 1.00 1.00 H new ATOM 0 HB2 PHE A 62 -7.222 -33.145 -46.808 1.00 1.00 H new ATOM 0 HB3 PHE A 62 -7.644 -34.717 -47.458 1.00 1.00 H new ATOM 0 HD1 PHE A 62 -6.044 -35.959 -48.913 1.00 1.00 H new ATOM 0 HD2 PHE A 62 -5.005 -32.190 -47.135 1.00 1.00 H new ATOM 0 HE1 PHE A 62 -3.647 -36.398 -49.380 1.00 1.00 H new ATOM 0 HE2 PHE A 62 -2.610 -32.624 -47.611 1.00 1.00 H new ATOM 0 HZ PHE A 62 -1.931 -34.731 -48.731 1.00 1.00 H new TER 1007 PHE A 62