USER MOD reduce.3.24.130724 H: found=0, std=0, add=506, rem=0, adj=6 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+ 176:sc= -0.959 (180deg=-1.19) USER MOD Single : A 4 MET CE :methyl 139:sc= -0.173 (180deg=-1.21) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ -165:sc= -0.0134 (180deg=-0.237) USER MOD Single : A 31 LYS NZ :NH3+ -162:sc= -0.0372 (180deg=-0.561) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -0.0294 K(o=-0.029,f=-2!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -40.211 16.536 -17.259 1.00 1.00 N ATOM 2 CA MET A 1 -39.861 15.946 -18.578 1.00 1.00 C ATOM 3 C MET A 1 -38.682 16.703 -19.174 1.00 1.00 C ATOM 4 O MET A 1 -38.102 16.275 -20.173 1.00 1.00 O ATOM 5 CB MET A 1 -41.077 16.026 -19.509 1.00 1.00 C ATOM 6 CG MET A 1 -41.809 17.349 -19.288 1.00 1.00 C ATOM 7 SD MET A 1 -43.164 17.495 -20.478 1.00 1.00 S ATOM 8 CE MET A 1 -43.699 19.160 -20.014 1.00 1.00 C ATOM 0 H1 MET A 1 -41.058 16.065 -16.882 1.00 1.00 H new ATOM 0 H2 MET A 1 -39.418 16.405 -16.599 1.00 1.00 H new ATOM 0 H3 MET A 1 -40.402 17.552 -17.373 1.00 1.00 H new ATOM 0 HA MET A 1 -39.580 14.900 -18.455 1.00 1.00 H new ATOM 0 HB2 MET A 1 -40.758 15.945 -20.548 1.00 1.00 H new ATOM 0 HB3 MET A 1 -41.750 15.190 -19.317 1.00 1.00 H new ATOM 0 HG2 MET A 1 -42.198 17.396 -18.271 1.00 1.00 H new ATOM 0 HG3 MET A 1 -41.117 18.183 -19.404 1.00 1.00 H new ATOM 0 HE1 MET A 1 -44.543 19.457 -20.636 1.00 1.00 H new ATOM 0 HE2 MET A 1 -44.000 19.167 -18.966 1.00 1.00 H new ATOM 0 HE3 MET A 1 -42.877 19.860 -20.160 1.00 1.00 H new ATOM 20 N ARG A 2 -38.321 17.822 -18.555 1.00 1.00 N ATOM 21 CA ARG A 2 -37.199 18.609 -19.048 1.00 1.00 C ATOM 22 C ARG A 2 -35.894 17.901 -18.711 1.00 1.00 C ATOM 23 O ARG A 2 -35.686 17.468 -17.576 1.00 1.00 O ATOM 24 CB ARG A 2 -37.203 20.012 -18.425 1.00 1.00 C ATOM 25 CG ARG A 2 -36.182 20.914 -19.147 1.00 1.00 C ATOM 26 CD ARG A 2 -36.808 21.552 -20.396 1.00 1.00 C ATOM 27 NE ARG A 2 -35.865 22.497 -20.978 1.00 1.00 N ATOM 28 CZ ARG A 2 -36.090 23.073 -22.156 1.00 1.00 C ATOM 29 NH1 ARG A 2 -37.176 22.799 -22.829 1.00 1.00 N ATOM 30 NH2 ARG A 2 -35.216 23.915 -22.637 1.00 1.00 N ATOM 0 H ARG A 2 -38.780 18.199 -17.726 1.00 1.00 H new ATOM 0 HA ARG A 2 -37.293 18.711 -20.129 1.00 1.00 H new ATOM 0 HB2 ARG A 2 -38.200 20.448 -18.497 1.00 1.00 H new ATOM 0 HB3 ARG A 2 -36.958 19.949 -17.365 1.00 1.00 H new ATOM 0 HG2 ARG A 2 -35.835 21.694 -18.469 1.00 1.00 H new ATOM 0 HG3 ARG A 2 -35.308 20.327 -19.431 1.00 1.00 H new ATOM 0 HD2 ARG A 2 -37.063 20.781 -21.123 1.00 1.00 H new ATOM 0 HD3 ARG A 2 -37.735 22.061 -20.132 1.00 1.00 H new ATOM 0 HE ARG A 2 -35.010 22.723 -20.469 1.00 1.00 H new ATOM 0 HH11 ARG A 2 -37.857 22.140 -22.452 1.00 1.00 H new ATOM 0 HH12 ARG A 2 -37.343 23.244 -23.732 1.00 1.00 H new ATOM 0 HH21 ARG A 2 -34.368 24.127 -22.110 1.00 1.00 H new ATOM 0 HH22 ARG A 2 -35.381 24.361 -23.539 1.00 1.00 H new ATOM 44 N ASP A 3 -35.023 17.770 -19.709 1.00 1.00 N ATOM 45 CA ASP A 3 -33.738 17.092 -19.522 1.00 1.00 C ATOM 46 C ASP A 3 -32.612 17.867 -20.207 1.00 1.00 C ATOM 47 O ASP A 3 -31.870 17.322 -21.026 1.00 1.00 O ATOM 48 CB ASP A 3 -33.840 15.674 -20.097 1.00 1.00 C ATOM 49 CG ASP A 3 -32.553 14.901 -19.843 1.00 1.00 C ATOM 50 OD1 ASP A 3 -31.603 15.508 -19.383 1.00 1.00 O ATOM 51 OD2 ASP A 3 -32.539 13.711 -20.114 1.00 1.00 O ATOM 0 H ASP A 3 -35.181 18.122 -20.653 1.00 1.00 H new ATOM 0 HA ASP A 3 -33.506 17.042 -18.458 1.00 1.00 H new ATOM 0 HB2 ASP A 3 -34.681 15.151 -19.642 1.00 1.00 H new ATOM 0 HB3 ASP A 3 -34.036 15.723 -21.168 1.00 1.00 H new ATOM 56 N MET A 4 -32.491 19.152 -19.856 1.00 1.00 N ATOM 57 CA MET A 4 -31.455 20.014 -20.426 1.00 1.00 C ATOM 58 C MET A 4 -30.057 19.535 -20.019 1.00 1.00 C ATOM 59 O MET A 4 -29.129 19.558 -20.827 1.00 1.00 O ATOM 60 CB MET A 4 -31.658 21.465 -19.964 1.00 1.00 C ATOM 61 CG MET A 4 -32.818 22.105 -20.732 1.00 1.00 C ATOM 62 SD MET A 4 -33.138 23.762 -20.074 1.00 1.00 S ATOM 63 CE MET A 4 -31.580 24.528 -20.581 1.00 1.00 C ATOM 0 H MET A 4 -33.098 19.616 -19.180 1.00 1.00 H new ATOM 0 HA MET A 4 -31.537 19.965 -21.512 1.00 1.00 H new ATOM 0 HB2 MET A 4 -31.863 21.489 -18.894 1.00 1.00 H new ATOM 0 HB3 MET A 4 -30.745 22.037 -20.126 1.00 1.00 H new ATOM 0 HG2 MET A 4 -32.577 22.164 -21.793 1.00 1.00 H new ATOM 0 HG3 MET A 4 -33.712 21.488 -20.642 1.00 1.00 H new ATOM 0 HE1 MET A 4 -31.774 25.533 -20.956 1.00 1.00 H new ATOM 0 HE2 MET A 4 -30.907 24.584 -19.726 1.00 1.00 H new ATOM 0 HE3 MET A 4 -31.119 23.930 -21.367 1.00 1.00 H new ATOM 73 N THR A 5 -29.911 19.105 -18.760 1.00 1.00 N ATOM 74 CA THR A 5 -28.618 18.623 -18.263 1.00 1.00 C ATOM 75 C THR A 5 -28.827 17.474 -17.286 1.00 1.00 C ATOM 76 O THR A 5 -29.478 17.638 -16.254 1.00 1.00 O ATOM 77 CB THR A 5 -27.859 19.762 -17.566 1.00 1.00 C ATOM 78 OG1 THR A 5 -27.673 20.834 -18.482 1.00 1.00 O ATOM 79 CG2 THR A 5 -26.496 19.254 -17.087 1.00 1.00 C ATOM 0 H THR A 5 -30.665 19.081 -18.073 1.00 1.00 H new ATOM 0 HA THR A 5 -28.030 18.270 -19.110 1.00 1.00 H new ATOM 0 HB THR A 5 -28.434 20.111 -16.708 1.00 1.00 H new ATOM 0 HG1 THR A 5 -27.190 21.563 -18.039 1.00 1.00 H new ATOM 0 HG21 THR A 5 -25.959 20.064 -16.593 1.00 1.00 H new ATOM 0 HG22 THR A 5 -26.640 18.433 -16.385 1.00 1.00 H new ATOM 0 HG23 THR A 5 -25.917 18.904 -17.942 1.00 1.00 H new ATOM 87 N GLU A 6 -28.278 16.311 -17.618 1.00 1.00 N ATOM 88 CA GLU A 6 -28.423 15.144 -16.759 1.00 1.00 C ATOM 89 C GLU A 6 -27.372 14.091 -17.121 1.00 1.00 C ATOM 90 O GLU A 6 -27.328 13.612 -18.255 1.00 1.00 O ATOM 91 CB GLU A 6 -29.838 14.569 -16.919 1.00 1.00 C ATOM 92 CG GLU A 6 -30.070 13.461 -15.896 1.00 1.00 C ATOM 93 CD GLU A 6 -31.491 12.915 -16.028 1.00 1.00 C ATOM 94 OE1 GLU A 6 -32.136 13.230 -17.014 1.00 1.00 O ATOM 95 OE2 GLU A 6 -31.913 12.188 -15.144 1.00 1.00 O ATOM 0 H GLU A 6 -27.734 16.153 -18.466 1.00 1.00 H new ATOM 0 HA GLU A 6 -28.272 15.435 -15.720 1.00 1.00 H new ATOM 0 HB2 GLU A 6 -30.577 15.359 -16.786 1.00 1.00 H new ATOM 0 HB3 GLU A 6 -29.968 14.177 -17.928 1.00 1.00 H new ATOM 0 HG2 GLU A 6 -29.348 12.659 -16.047 1.00 1.00 H new ATOM 0 HG3 GLU A 6 -29.912 13.846 -14.889 1.00 1.00 H new ATOM 102 N GLU A 7 -26.522 13.743 -16.151 1.00 1.00 N ATOM 103 CA GLU A 7 -25.471 12.751 -16.383 1.00 1.00 C ATOM 104 C GLU A 7 -24.933 12.206 -15.061 1.00 1.00 C ATOM 105 O GLU A 7 -23.744 12.334 -14.765 1.00 1.00 O ATOM 106 CB GLU A 7 -24.319 13.381 -17.179 1.00 1.00 C ATOM 107 CG GLU A 7 -23.900 14.707 -16.535 1.00 1.00 C ATOM 108 CD GLU A 7 -24.934 15.792 -16.830 1.00 1.00 C ATOM 109 OE1 GLU A 7 -25.467 15.791 -17.925 1.00 1.00 O ATOM 110 OE2 GLU A 7 -25.173 16.609 -15.956 1.00 1.00 O ATOM 0 H GLU A 7 -26.541 14.129 -15.207 1.00 1.00 H new ATOM 0 HA GLU A 7 -25.904 11.928 -16.952 1.00 1.00 H new ATOM 0 HB2 GLU A 7 -23.470 12.698 -17.209 1.00 1.00 H new ATOM 0 HB3 GLU A 7 -24.629 13.550 -18.210 1.00 1.00 H new ATOM 0 HG2 GLU A 7 -23.796 14.578 -15.458 1.00 1.00 H new ATOM 0 HG3 GLU A 7 -22.925 15.012 -16.916 1.00 1.00 H new ATOM 117 N THR A 8 -25.812 11.596 -14.269 1.00 1.00 N ATOM 118 CA THR A 8 -25.412 11.036 -12.983 1.00 1.00 C ATOM 119 C THR A 8 -24.404 9.906 -13.176 1.00 1.00 C ATOM 120 O THR A 8 -23.428 9.807 -12.435 1.00 1.00 O ATOM 121 CB THR A 8 -26.639 10.528 -12.217 1.00 1.00 C ATOM 122 OG1 THR A 8 -27.653 11.523 -12.253 1.00 1.00 O ATOM 123 CG2 THR A 8 -26.263 10.252 -10.757 1.00 1.00 C ATOM 0 H THR A 8 -26.800 11.478 -14.494 1.00 1.00 H new ATOM 0 HA THR A 8 -24.937 11.825 -12.400 1.00 1.00 H new ATOM 0 HB THR A 8 -26.998 9.608 -12.679 1.00 1.00 H new ATOM 0 HG1 THR A 8 -28.442 11.204 -11.766 1.00 1.00 H new ATOM 0 HG21 THR A 8 -27.139 9.891 -10.218 1.00 1.00 H new ATOM 0 HG22 THR A 8 -25.478 9.497 -10.720 1.00 1.00 H new ATOM 0 HG23 THR A 8 -25.905 11.171 -10.294 1.00 1.00 H new ATOM 131 N ARG A 9 -24.648 9.050 -14.167 1.00 1.00 N ATOM 132 CA ARG A 9 -23.752 7.928 -14.432 1.00 1.00 C ATOM 133 C ARG A 9 -23.718 7.004 -13.224 1.00 1.00 C ATOM 134 O ARG A 9 -23.545 7.457 -12.091 1.00 1.00 O ATOM 135 CB ARG A 9 -22.337 8.443 -14.739 1.00 1.00 C ATOM 136 CG ARG A 9 -21.496 7.323 -15.366 1.00 1.00 C ATOM 137 CD ARG A 9 -20.099 7.856 -15.702 1.00 1.00 C ATOM 138 NE ARG A 9 -20.178 8.852 -16.765 1.00 1.00 N ATOM 139 CZ ARG A 9 -19.092 9.470 -17.222 1.00 1.00 C ATOM 140 NH1 ARG A 9 -17.914 9.189 -16.722 1.00 1.00 N ATOM 141 NH2 ARG A 9 -19.197 10.358 -18.175 1.00 1.00 N ATOM 0 H ARG A 9 -25.451 9.111 -14.794 1.00 1.00 H new ATOM 0 HA ARG A 9 -24.119 7.375 -15.297 1.00 1.00 H new ATOM 0 HB2 ARG A 9 -22.390 9.293 -15.419 1.00 1.00 H new ATOM 0 HB3 ARG A 9 -21.863 8.796 -13.823 1.00 1.00 H new ATOM 0 HG2 ARG A 9 -21.419 6.482 -14.676 1.00 1.00 H new ATOM 0 HG3 ARG A 9 -21.981 6.952 -16.269 1.00 1.00 H new ATOM 0 HD2 ARG A 9 -19.648 8.298 -14.814 1.00 1.00 H new ATOM 0 HD3 ARG A 9 -19.454 7.034 -16.012 1.00 1.00 H new ATOM 0 HE ARG A 9 -21.087 9.080 -17.167 1.00 1.00 H new ATOM 0 HH11 ARG A 9 -17.827 8.494 -15.980 1.00 1.00 H new ATOM 0 HH12 ARG A 9 -17.084 9.665 -17.075 1.00 1.00 H new ATOM 0 HH21 ARG A 9 -20.112 10.578 -18.569 1.00 1.00 H new ATOM 0 HH22 ARG A 9 -18.364 10.831 -18.525 1.00 1.00 H new ATOM 155 N LYS A 10 -23.889 5.709 -13.468 1.00 1.00 N ATOM 156 CA LYS A 10 -23.878 4.729 -12.385 1.00 1.00 C ATOM 157 C LYS A 10 -22.460 4.235 -12.123 1.00 1.00 C ATOM 158 O LYS A 10 -22.157 3.048 -12.253 1.00 1.00 O ATOM 159 CB LYS A 10 -24.819 3.558 -12.714 1.00 1.00 C ATOM 160 CG LYS A 10 -24.508 2.993 -14.105 1.00 1.00 C ATOM 161 CD LYS A 10 -25.489 1.858 -14.435 1.00 1.00 C ATOM 162 CE LYS A 10 -25.120 1.234 -15.787 1.00 1.00 C ATOM 163 NZ LYS A 10 -25.355 2.225 -16.875 1.00 1.00 N ATOM 0 H LYS A 10 -24.036 5.315 -14.397 1.00 1.00 H new ATOM 0 HA LYS A 10 -24.239 5.210 -11.476 1.00 1.00 H new ATOM 0 HB2 LYS A 10 -24.710 2.774 -11.964 1.00 1.00 H new ATOM 0 HB3 LYS A 10 -25.855 3.894 -12.675 1.00 1.00 H new ATOM 0 HG2 LYS A 10 -24.584 3.782 -14.854 1.00 1.00 H new ATOM 0 HG3 LYS A 10 -23.484 2.622 -14.136 1.00 1.00 H new ATOM 0 HD2 LYS A 10 -25.459 1.099 -13.653 1.00 1.00 H new ATOM 0 HD3 LYS A 10 -26.508 2.243 -14.467 1.00 1.00 H new ATOM 0 HE2 LYS A 10 -24.075 0.924 -15.783 1.00 1.00 H new ATOM 0 HE3 LYS A 10 -25.717 0.339 -15.961 1.00 1.00 H new ATOM 0 HZ1 LYS A 10 -25.353 1.738 -17.794 1.00 1.00 H new ATOM 0 HZ2 LYS A 10 -26.275 2.688 -16.730 1.00 1.00 H new ATOM 0 HZ3 LYS A 10 -24.601 2.941 -16.861 1.00 1.00 H new ATOM 177 N ASP A 11 -21.600 5.176 -11.742 1.00 1.00 N ATOM 178 CA ASP A 11 -20.205 4.884 -11.431 1.00 1.00 C ATOM 179 C ASP A 11 -19.617 3.849 -12.387 1.00 1.00 C ATOM 180 O ASP A 11 -20.112 3.665 -13.499 1.00 1.00 O ATOM 181 CB ASP A 11 -20.104 4.388 -9.987 1.00 1.00 C ATOM 182 CG ASP A 11 -18.677 4.539 -9.471 1.00 1.00 C ATOM 183 OD1 ASP A 11 -17.808 4.835 -10.273 1.00 1.00 O ATOM 184 OD2 ASP A 11 -18.477 4.359 -8.283 1.00 1.00 O ATOM 0 H ASP A 11 -21.850 6.160 -11.641 1.00 1.00 H new ATOM 0 HA ASP A 11 -19.628 5.801 -11.550 1.00 1.00 H new ATOM 0 HB2 ASP A 11 -20.788 4.952 -9.353 1.00 1.00 H new ATOM 0 HB3 ASP A 11 -20.408 3.343 -9.933 1.00 1.00 H new ATOM 189 N LEU A 12 -18.551 3.174 -11.939 1.00 1.00 N ATOM 190 CA LEU A 12 -17.887 2.153 -12.744 1.00 1.00 C ATOM 191 C LEU A 12 -18.126 0.767 -12.132 1.00 1.00 C ATOM 192 O LEU A 12 -17.437 0.380 -11.188 1.00 1.00 O ATOM 193 CB LEU A 12 -16.382 2.430 -12.791 1.00 1.00 C ATOM 194 CG LEU A 12 -16.137 3.919 -13.064 1.00 1.00 C ATOM 195 CD1 LEU A 12 -14.632 4.180 -13.104 1.00 1.00 C ATOM 196 CD2 LEU A 12 -16.752 4.312 -14.411 1.00 1.00 C ATOM 0 H LEU A 12 -18.133 3.320 -11.020 1.00 1.00 H new ATOM 0 HA LEU A 12 -18.296 2.179 -13.754 1.00 1.00 H new ATOM 0 HB2 LEU A 12 -15.920 2.143 -11.846 1.00 1.00 H new ATOM 0 HB3 LEU A 12 -15.916 1.826 -13.570 1.00 1.00 H new ATOM 0 HG LEU A 12 -16.598 4.510 -12.273 1.00 1.00 H new ATOM 0 HD11 LEU A 12 -14.451 5.237 -13.298 1.00 1.00 H new ATOM 0 HD12 LEU A 12 -14.190 3.906 -12.146 1.00 1.00 H new ATOM 0 HD13 LEU A 12 -14.180 3.583 -13.896 1.00 1.00 H new ATOM 0 HD21 LEU A 12 -16.574 5.371 -14.597 1.00 1.00 H new ATOM 0 HD22 LEU A 12 -16.295 3.722 -15.206 1.00 1.00 H new ATOM 0 HD23 LEU A 12 -17.825 4.123 -14.390 1.00 1.00 H new ATOM 208 N PRO A 13 -19.072 0.008 -12.653 1.00 1.00 N ATOM 209 CA PRO A 13 -19.362 -1.364 -12.142 1.00 1.00 C ATOM 210 C PRO A 13 -18.108 -2.248 -12.096 1.00 1.00 C ATOM 211 O PRO A 13 -17.887 -2.957 -11.110 1.00 1.00 O ATOM 212 CB PRO A 13 -20.429 -1.933 -13.110 1.00 1.00 C ATOM 213 CG PRO A 13 -21.012 -0.741 -13.824 1.00 1.00 C ATOM 214 CD PRO A 13 -19.966 0.384 -13.768 1.00 1.00 C ATOM 0 HA PRO A 13 -19.716 -1.338 -11.112 1.00 1.00 H new ATOM 0 HB2 PRO A 13 -19.983 -2.632 -13.817 1.00 1.00 H new ATOM 0 HB3 PRO A 13 -21.200 -2.478 -12.566 1.00 1.00 H new ATOM 0 HG2 PRO A 13 -21.251 -0.992 -14.857 1.00 1.00 H new ATOM 0 HG3 PRO A 13 -21.941 -0.426 -13.349 1.00 1.00 H new ATOM 0 HD2 PRO A 13 -19.417 0.462 -14.707 1.00 1.00 H new ATOM 0 HD3 PRO A 13 -20.434 1.352 -13.591 1.00 1.00 H new ATOM 222 N PRO A 14 -17.288 -2.228 -13.128 1.00 1.00 N ATOM 223 CA PRO A 14 -16.054 -3.051 -13.175 1.00 1.00 C ATOM 224 C PRO A 14 -14.889 -2.377 -12.454 1.00 1.00 C ATOM 225 O PRO A 14 -13.755 -2.392 -12.930 1.00 1.00 O ATOM 226 CB PRO A 14 -15.791 -3.191 -14.681 1.00 1.00 C ATOM 227 CG PRO A 14 -16.335 -1.936 -15.299 1.00 1.00 C ATOM 228 CD PRO A 14 -17.436 -1.422 -14.367 1.00 1.00 C ATOM 0 HA PRO A 14 -16.163 -4.010 -12.669 1.00 1.00 H new ATOM 0 HB2 PRO A 14 -14.726 -3.300 -14.885 1.00 1.00 H new ATOM 0 HB3 PRO A 14 -16.285 -4.074 -15.086 1.00 1.00 H new ATOM 0 HG2 PRO A 14 -15.548 -1.190 -15.415 1.00 1.00 H new ATOM 0 HG3 PRO A 14 -16.733 -2.137 -16.294 1.00 1.00 H new ATOM 0 HD2 PRO A 14 -17.318 -0.358 -14.164 1.00 1.00 H new ATOM 0 HD3 PRO A 14 -18.423 -1.554 -14.810 1.00 1.00 H new ATOM 236 N GLU A 15 -15.182 -1.791 -11.296 1.00 1.00 N ATOM 237 CA GLU A 15 -14.156 -1.118 -10.507 1.00 1.00 C ATOM 238 C GLU A 15 -13.152 -2.139 -9.987 1.00 1.00 C ATOM 239 O GLU A 15 -11.947 -1.883 -9.947 1.00 1.00 O ATOM 240 CB GLU A 15 -14.810 -0.381 -9.335 1.00 1.00 C ATOM 241 CG GLU A 15 -13.750 0.383 -8.539 1.00 1.00 C ATOM 242 CD GLU A 15 -14.414 1.155 -7.400 1.00 1.00 C ATOM 243 OE1 GLU A 15 -15.578 0.892 -7.134 1.00 1.00 O ATOM 244 OE2 GLU A 15 -13.753 1.992 -6.810 1.00 1.00 O ATOM 0 H GLU A 15 -16.116 -1.769 -10.886 1.00 1.00 H new ATOM 0 HA GLU A 15 -13.633 -0.397 -11.135 1.00 1.00 H new ATOM 0 HB2 GLU A 15 -15.566 0.311 -9.706 1.00 1.00 H new ATOM 0 HB3 GLU A 15 -15.320 -1.093 -8.686 1.00 1.00 H new ATOM 0 HG2 GLU A 15 -13.012 -0.312 -8.138 1.00 1.00 H new ATOM 0 HG3 GLU A 15 -13.216 1.071 -9.194 1.00 1.00 H new ATOM 251 N ALA A 16 -13.662 -3.301 -9.591 1.00 1.00 N ATOM 252 CA ALA A 16 -12.817 -4.367 -9.075 1.00 1.00 C ATOM 253 C ALA A 16 -11.838 -4.829 -10.147 1.00 1.00 C ATOM 254 O ALA A 16 -10.667 -5.086 -9.868 1.00 1.00 O ATOM 255 CB ALA A 16 -13.690 -5.540 -8.624 1.00 1.00 C ATOM 0 H ALA A 16 -14.656 -3.526 -9.618 1.00 1.00 H new ATOM 0 HA ALA A 16 -12.250 -3.991 -8.224 1.00 1.00 H new ATOM 0 HB1 ALA A 16 -13.056 -6.338 -8.238 1.00 1.00 H new ATOM 0 HB2 ALA A 16 -14.371 -5.207 -7.841 1.00 1.00 H new ATOM 0 HB3 ALA A 16 -14.266 -5.912 -9.472 1.00 1.00 H new ATOM 261 N LEU A 17 -12.327 -4.929 -11.377 1.00 1.00 N ATOM 262 CA LEU A 17 -11.486 -5.353 -12.487 1.00 1.00 C ATOM 263 C LEU A 17 -10.376 -4.338 -12.711 1.00 1.00 C ATOM 264 O LEU A 17 -9.222 -4.701 -12.931 1.00 1.00 O ATOM 265 CB LEU A 17 -12.343 -5.509 -13.749 1.00 1.00 C ATOM 266 CG LEU A 17 -13.074 -6.865 -13.711 1.00 1.00 C ATOM 267 CD1 LEU A 17 -12.066 -8.036 -13.859 1.00 1.00 C ATOM 268 CD2 LEU A 17 -13.829 -6.991 -12.374 1.00 1.00 C ATOM 0 H LEU A 17 -13.294 -4.724 -11.629 1.00 1.00 H new ATOM 0 HA LEU A 17 -11.030 -6.315 -12.254 1.00 1.00 H new ATOM 0 HB2 LEU A 17 -13.066 -4.696 -13.813 1.00 1.00 H new ATOM 0 HB3 LEU A 17 -11.715 -5.447 -14.638 1.00 1.00 H new ATOM 0 HG LEU A 17 -13.778 -6.914 -14.542 1.00 1.00 H new ATOM 0 HD11 LEU A 17 -12.603 -8.984 -13.830 1.00 1.00 H new ATOM 0 HD12 LEU A 17 -11.541 -7.946 -14.810 1.00 1.00 H new ATOM 0 HD13 LEU A 17 -11.346 -8.001 -13.042 1.00 1.00 H new ATOM 0 HD21 LEU A 17 -14.349 -7.948 -12.339 1.00 1.00 H new ATOM 0 HD22 LEU A 17 -13.119 -6.933 -11.549 1.00 1.00 H new ATOM 0 HD23 LEU A 17 -14.553 -6.181 -12.287 1.00 1.00 H new ATOM 280 N ARG A 18 -10.733 -3.067 -12.635 1.00 1.00 N ATOM 281 CA ARG A 18 -9.760 -2.005 -12.811 1.00 1.00 C ATOM 282 C ARG A 18 -8.774 -2.018 -11.654 1.00 1.00 C ATOM 283 O ARG A 18 -7.581 -1.772 -11.835 1.00 1.00 O ATOM 284 CB ARG A 18 -10.469 -0.650 -12.889 1.00 1.00 C ATOM 285 CG ARG A 18 -11.384 -0.597 -14.126 1.00 1.00 C ATOM 286 CD ARG A 18 -10.568 -0.287 -15.389 1.00 1.00 C ATOM 287 NE ARG A 18 -11.464 -0.095 -16.521 1.00 1.00 N ATOM 288 CZ ARG A 18 -10.990 0.120 -17.746 1.00 1.00 C ATOM 289 NH1 ARG A 18 -9.701 0.164 -17.952 1.00 1.00 N ATOM 290 NH2 ARG A 18 -11.816 0.287 -18.743 1.00 1.00 N ATOM 0 H ARG A 18 -11.685 -2.748 -12.454 1.00 1.00 H new ATOM 0 HA ARG A 18 -9.217 -2.167 -13.742 1.00 1.00 H new ATOM 0 HB2 ARG A 18 -11.057 -0.487 -11.986 1.00 1.00 H new ATOM 0 HB3 ARG A 18 -9.732 0.152 -12.939 1.00 1.00 H new ATOM 0 HG2 ARG A 18 -11.900 -1.550 -14.245 1.00 1.00 H new ATOM 0 HG3 ARG A 18 -12.151 0.165 -13.986 1.00 1.00 H new ATOM 0 HD2 ARG A 18 -9.967 0.609 -15.234 1.00 1.00 H new ATOM 0 HD3 ARG A 18 -9.876 -1.104 -15.596 1.00 1.00 H new ATOM 0 HE ARG A 18 -12.473 -0.126 -16.372 1.00 1.00 H new ATOM 0 HH11 ARG A 18 -9.055 0.033 -17.173 1.00 1.00 H new ATOM 0 HH12 ARG A 18 -9.340 0.329 -18.892 1.00 1.00 H new ATOM 0 HH21 ARG A 18 -12.823 0.253 -18.582 1.00 1.00 H new ATOM 0 HH22 ARG A 18 -11.455 0.452 -19.682 1.00 1.00 H new ATOM 304 N ALA A 19 -9.279 -2.321 -10.462 1.00 1.00 N ATOM 305 CA ALA A 19 -8.429 -2.380 -9.284 1.00 1.00 C ATOM 306 C ALA A 19 -7.330 -3.408 -9.509 1.00 1.00 C ATOM 307 O ALA A 19 -6.185 -3.208 -9.114 1.00 1.00 O ATOM 308 CB ALA A 19 -9.260 -2.761 -8.053 1.00 1.00 C ATOM 0 H ALA A 19 -10.263 -2.527 -10.290 1.00 1.00 H new ATOM 0 HA ALA A 19 -7.981 -1.401 -9.112 1.00 1.00 H new ATOM 0 HB1 ALA A 19 -8.614 -2.802 -7.176 1.00 1.00 H new ATOM 0 HB2 ALA A 19 -10.039 -2.015 -7.895 1.00 1.00 H new ATOM 0 HB3 ALA A 19 -9.719 -3.737 -8.212 1.00 1.00 H new ATOM 314 N LEU A 20 -7.693 -4.510 -10.151 1.00 1.00 N ATOM 315 CA LEU A 20 -6.731 -5.563 -10.426 1.00 1.00 C ATOM 316 C LEU A 20 -5.624 -5.012 -11.329 1.00 1.00 C ATOM 317 O LEU A 20 -4.440 -5.271 -11.121 1.00 1.00 O ATOM 318 CB LEU A 20 -7.445 -6.746 -11.112 1.00 1.00 C ATOM 319 CG LEU A 20 -6.727 -8.070 -10.789 1.00 1.00 C ATOM 320 CD1 LEU A 20 -5.238 -7.966 -11.154 1.00 1.00 C ATOM 321 CD2 LEU A 20 -6.879 -8.405 -9.277 1.00 1.00 C ATOM 0 H LEU A 20 -8.638 -4.695 -10.488 1.00 1.00 H new ATOM 0 HA LEU A 20 -6.288 -5.914 -9.494 1.00 1.00 H new ATOM 0 HB2 LEU A 20 -8.481 -6.796 -10.778 1.00 1.00 H new ATOM 0 HB3 LEU A 20 -7.465 -6.590 -12.191 1.00 1.00 H new ATOM 0 HG LEU A 20 -7.181 -8.868 -11.377 1.00 1.00 H new ATOM 0 HD11 LEU A 20 -4.740 -8.907 -10.922 1.00 1.00 H new ATOM 0 HD12 LEU A 20 -5.138 -7.756 -12.219 1.00 1.00 H new ATOM 0 HD13 LEU A 20 -4.778 -7.161 -10.581 1.00 1.00 H new ATOM 0 HD21 LEU A 20 -6.368 -9.343 -9.059 1.00 1.00 H new ATOM 0 HD22 LEU A 20 -6.439 -7.605 -8.681 1.00 1.00 H new ATOM 0 HD23 LEU A 20 -7.936 -8.502 -9.030 1.00 1.00 H new ATOM 333 N ALA A 21 -6.027 -4.245 -12.332 1.00 1.00 N ATOM 334 CA ALA A 21 -5.072 -3.665 -13.263 1.00 1.00 C ATOM 335 C ALA A 21 -4.152 -2.684 -12.542 1.00 1.00 C ATOM 336 O ALA A 21 -2.956 -2.621 -12.827 1.00 1.00 O ATOM 337 CB ALA A 21 -5.820 -2.956 -14.392 1.00 1.00 C ATOM 0 H ALA A 21 -7.002 -4.012 -12.521 1.00 1.00 H new ATOM 0 HA ALA A 21 -4.460 -4.463 -13.684 1.00 1.00 H new ATOM 0 HB1 ALA A 21 -5.102 -2.522 -15.088 1.00 1.00 H new ATOM 0 HB2 ALA A 21 -6.448 -3.674 -14.919 1.00 1.00 H new ATOM 0 HB3 ALA A 21 -6.444 -2.165 -13.975 1.00 1.00 H new ATOM 343 N GLU A 22 -4.713 -1.931 -11.597 1.00 1.00 N ATOM 344 CA GLU A 22 -3.921 -0.973 -10.834 1.00 1.00 C ATOM 345 C GLU A 22 -2.927 -1.719 -9.947 1.00 1.00 C ATOM 346 O GLU A 22 -1.807 -1.257 -9.722 1.00 1.00 O ATOM 347 CB GLU A 22 -4.835 -0.085 -9.978 1.00 1.00 C ATOM 348 CG GLU A 22 -5.654 0.834 -10.893 1.00 1.00 C ATOM 349 CD GLU A 22 -6.635 1.668 -10.070 1.00 1.00 C ATOM 350 OE1 GLU A 22 -6.630 1.532 -8.859 1.00 1.00 O ATOM 351 OE2 GLU A 22 -7.377 2.433 -10.666 1.00 1.00 O ATOM 0 H GLU A 22 -5.701 -1.966 -11.345 1.00 1.00 H new ATOM 0 HA GLU A 22 -3.372 -0.335 -11.527 1.00 1.00 H new ATOM 0 HB2 GLU A 22 -5.500 -0.703 -9.375 1.00 1.00 H new ATOM 0 HB3 GLU A 22 -4.239 0.510 -9.286 1.00 1.00 H new ATOM 0 HG2 GLU A 22 -4.987 1.491 -11.451 1.00 1.00 H new ATOM 0 HG3 GLU A 22 -6.199 0.238 -11.625 1.00 1.00 H new ATOM 358 N ALA A 23 -3.344 -2.885 -9.457 1.00 1.00 N ATOM 359 CA ALA A 23 -2.485 -3.704 -8.612 1.00 1.00 C ATOM 360 C ALA A 23 -1.253 -4.146 -9.399 1.00 1.00 C ATOM 361 O ALA A 23 -0.149 -4.228 -8.858 1.00 1.00 O ATOM 362 CB ALA A 23 -3.254 -4.935 -8.123 1.00 1.00 C ATOM 0 H ALA A 23 -4.268 -3.280 -9.631 1.00 1.00 H new ATOM 0 HA ALA A 23 -2.169 -3.115 -7.751 1.00 1.00 H new ATOM 0 HB1 ALA A 23 -2.605 -5.542 -7.492 1.00 1.00 H new ATOM 0 HB2 ALA A 23 -4.124 -4.616 -7.549 1.00 1.00 H new ATOM 0 HB3 ALA A 23 -3.581 -5.524 -8.980 1.00 1.00 H new ATOM 368 N GLU A 24 -1.456 -4.423 -10.684 1.00 1.00 N ATOM 369 CA GLU A 24 -0.366 -4.851 -11.554 1.00 1.00 C ATOM 370 C GLU A 24 0.650 -3.718 -11.724 1.00 1.00 C ATOM 371 O GLU A 24 1.859 -3.956 -11.744 1.00 1.00 O ATOM 372 CB GLU A 24 -0.930 -5.259 -12.922 1.00 1.00 C ATOM 373 CG GLU A 24 -1.772 -6.531 -12.767 1.00 1.00 C ATOM 374 CD GLU A 24 -2.418 -6.903 -14.100 1.00 1.00 C ATOM 375 OE1 GLU A 24 -2.162 -6.218 -15.075 1.00 1.00 O ATOM 376 OE2 GLU A 24 -3.161 -7.871 -14.125 1.00 1.00 O ATOM 0 H GLU A 24 -2.364 -4.359 -11.145 1.00 1.00 H new ATOM 0 HA GLU A 24 0.137 -5.706 -11.102 1.00 1.00 H new ATOM 0 HB2 GLU A 24 -1.540 -4.454 -13.331 1.00 1.00 H new ATOM 0 HB3 GLU A 24 -0.116 -5.432 -13.626 1.00 1.00 H new ATOM 0 HG2 GLU A 24 -1.144 -7.351 -12.418 1.00 1.00 H new ATOM 0 HG3 GLU A 24 -2.543 -6.376 -12.012 1.00 1.00 H new ATOM 383 N GLU A 25 0.150 -2.487 -11.836 1.00 1.00 N ATOM 384 CA GLU A 25 1.017 -1.317 -11.993 1.00 1.00 C ATOM 385 C GLU A 25 1.840 -1.107 -10.725 1.00 1.00 C ATOM 386 O GLU A 25 2.992 -0.676 -10.782 1.00 1.00 O ATOM 387 CB GLU A 25 0.167 -0.073 -12.264 1.00 1.00 C ATOM 388 CG GLU A 25 1.073 1.117 -12.591 1.00 1.00 C ATOM 389 CD GLU A 25 0.220 2.352 -12.857 1.00 1.00 C ATOM 390 OE1 GLU A 25 -0.974 2.190 -13.049 1.00 1.00 O ATOM 391 OE2 GLU A 25 0.770 3.443 -12.864 1.00 1.00 O ATOM 0 H GLU A 25 -0.847 -2.274 -11.821 1.00 1.00 H new ATOM 0 HA GLU A 25 1.689 -1.484 -12.835 1.00 1.00 H new ATOM 0 HB2 GLU A 25 -0.514 -0.261 -13.094 1.00 1.00 H new ATOM 0 HB3 GLU A 25 -0.447 0.155 -11.393 1.00 1.00 H new ATOM 0 HG2 GLU A 25 1.755 1.306 -11.762 1.00 1.00 H new ATOM 0 HG3 GLU A 25 1.686 0.891 -13.464 1.00 1.00 H new ATOM 398 N ARG A 26 1.226 -1.425 -9.587 1.00 1.00 N ATOM 399 CA ARG A 26 1.873 -1.297 -8.283 1.00 1.00 C ATOM 400 C ARG A 26 2.061 0.170 -7.886 1.00 1.00 C ATOM 401 O ARG A 26 3.161 0.586 -7.521 1.00 1.00 O ATOM 402 CB ARG A 26 3.233 -2.008 -8.295 1.00 1.00 C ATOM 403 CG ARG A 26 3.707 -2.241 -6.858 1.00 1.00 C ATOM 404 CD ARG A 26 5.078 -2.918 -6.880 1.00 1.00 C ATOM 405 NE ARG A 26 4.969 -4.246 -7.468 1.00 1.00 N ATOM 406 CZ ARG A 26 4.581 -5.290 -6.743 1.00 1.00 C ATOM 407 NH1 ARG A 26 4.298 -5.138 -5.476 1.00 1.00 N ATOM 408 NH2 ARG A 26 4.482 -6.469 -7.297 1.00 1.00 N ATOM 0 H ARG A 26 0.270 -1.777 -9.543 1.00 1.00 H new ATOM 0 HA ARG A 26 1.221 -1.765 -7.545 1.00 1.00 H new ATOM 0 HB2 ARG A 26 3.152 -2.960 -8.820 1.00 1.00 H new ATOM 0 HB3 ARG A 26 3.964 -1.407 -8.836 1.00 1.00 H new ATOM 0 HG2 ARG A 26 3.766 -1.292 -6.324 1.00 1.00 H new ATOM 0 HG3 ARG A 26 2.990 -2.864 -6.323 1.00 1.00 H new ATOM 0 HD2 ARG A 26 5.782 -2.314 -7.453 1.00 1.00 H new ATOM 0 HD3 ARG A 26 5.473 -2.991 -5.867 1.00 1.00 H new ATOM 0 HE ARG A 26 5.195 -4.377 -8.454 1.00 1.00 H new ATOM 0 HH11 ARG A 26 4.375 -4.218 -5.043 1.00 1.00 H new ATOM 0 HH12 ARG A 26 4.000 -5.940 -4.920 1.00 1.00 H new ATOM 0 HH21 ARG A 26 4.703 -6.588 -8.286 1.00 1.00 H new ATOM 0 HH22 ARG A 26 4.184 -7.270 -6.741 1.00 1.00 H new ATOM 422 N ARG A 27 0.979 0.952 -7.941 1.00 1.00 N ATOM 423 CA ARG A 27 1.031 2.372 -7.562 1.00 1.00 C ATOM 424 C ARG A 27 -0.141 2.722 -6.647 1.00 1.00 C ATOM 425 O ARG A 27 -0.494 3.891 -6.498 1.00 1.00 O ATOM 426 CB ARG A 27 0.992 3.271 -8.806 1.00 1.00 C ATOM 427 CG ARG A 27 2.246 3.062 -9.672 1.00 1.00 C ATOM 428 CD ARG A 27 3.420 3.889 -9.131 1.00 1.00 C ATOM 429 NE ARG A 27 4.609 3.635 -9.930 1.00 1.00 N ATOM 430 CZ ARG A 27 4.839 4.299 -11.058 1.00 1.00 C ATOM 431 NH1 ARG A 27 3.992 5.210 -11.467 1.00 1.00 N ATOM 432 NH2 ARG A 27 5.908 4.038 -11.761 1.00 1.00 N ATOM 0 H ARG A 27 0.059 0.630 -8.242 1.00 1.00 H new ATOM 0 HA ARG A 27 1.968 2.543 -7.031 1.00 1.00 H new ATOM 0 HB2 ARG A 27 0.100 3.050 -9.392 1.00 1.00 H new ATOM 0 HB3 ARG A 27 0.924 4.316 -8.503 1.00 1.00 H new ATOM 0 HG2 ARG A 27 2.514 2.005 -9.685 1.00 1.00 H new ATOM 0 HG3 ARG A 27 2.035 3.350 -10.702 1.00 1.00 H new ATOM 0 HD2 ARG A 27 3.172 4.950 -9.157 1.00 1.00 H new ATOM 0 HD3 ARG A 27 3.609 3.632 -8.089 1.00 1.00 H new ATOM 0 HE ARG A 27 5.280 2.933 -9.618 1.00 1.00 H new ATOM 0 HH11 ARG A 27 3.155 5.410 -10.920 1.00 1.00 H new ATOM 0 HH12 ARG A 27 4.169 5.719 -12.333 1.00 1.00 H new ATOM 0 HH21 ARG A 27 6.565 3.325 -11.444 1.00 1.00 H new ATOM 0 HH22 ARG A 27 6.086 4.547 -12.627 1.00 1.00 H new ATOM 446 N ARG A 28 -0.742 1.701 -6.042 1.00 1.00 N ATOM 447 CA ARG A 28 -1.877 1.912 -5.144 1.00 1.00 C ATOM 448 C ARG A 28 -1.458 2.699 -3.903 1.00 1.00 C ATOM 449 O ARG A 28 -2.194 3.562 -3.426 1.00 1.00 O ATOM 450 CB ARG A 28 -2.469 0.560 -4.732 1.00 1.00 C ATOM 451 CG ARG A 28 -3.187 -0.072 -5.929 1.00 1.00 C ATOM 452 CD ARG A 28 -3.736 -1.444 -5.538 1.00 1.00 C ATOM 453 NE ARG A 28 -2.641 -2.377 -5.316 1.00 1.00 N ATOM 454 CZ ARG A 28 -2.865 -3.635 -4.949 1.00 1.00 C ATOM 455 NH1 ARG A 28 -4.091 -4.060 -4.779 1.00 1.00 N ATOM 456 NH2 ARG A 28 -1.861 -4.447 -4.758 1.00 1.00 N ATOM 0 H ARG A 28 -0.466 0.726 -6.155 1.00 1.00 H new ATOM 0 HA ARG A 28 -2.631 2.493 -5.675 1.00 1.00 H new ATOM 0 HB2 ARG A 28 -1.679 -0.102 -4.378 1.00 1.00 H new ATOM 0 HB3 ARG A 28 -3.167 0.694 -3.905 1.00 1.00 H new ATOM 0 HG2 ARG A 28 -4.000 0.574 -6.260 1.00 1.00 H new ATOM 0 HG3 ARG A 28 -2.497 -0.171 -6.767 1.00 1.00 H new ATOM 0 HD2 ARG A 28 -4.340 -1.359 -4.635 1.00 1.00 H new ATOM 0 HD3 ARG A 28 -4.390 -1.820 -6.324 1.00 1.00 H new ATOM 0 HE ARG A 28 -1.681 -2.059 -5.445 1.00 1.00 H new ATOM 0 HH11 ARG A 28 -4.876 -3.426 -4.928 1.00 1.00 H new ATOM 0 HH12 ARG A 28 -4.262 -5.025 -4.497 1.00 1.00 H new ATOM 0 HH21 ARG A 28 -0.905 -4.116 -4.890 1.00 1.00 H new ATOM 0 HH22 ARG A 28 -2.032 -5.412 -4.476 1.00 1.00 H new ATOM 470 N ARG A 29 -0.272 2.393 -3.384 1.00 1.00 N ATOM 471 CA ARG A 29 0.237 3.080 -2.200 1.00 1.00 C ATOM 472 C ARG A 29 0.472 4.560 -2.494 1.00 1.00 C ATOM 473 O ARG A 29 0.207 5.422 -1.655 1.00 1.00 O ATOM 474 CB ARG A 29 1.553 2.425 -1.755 1.00 1.00 C ATOM 475 CG ARG A 29 1.281 1.030 -1.156 1.00 1.00 C ATOM 476 CD ARG A 29 0.984 1.149 0.344 1.00 1.00 C ATOM 477 NE ARG A 29 2.185 1.590 1.042 1.00 1.00 N ATOM 478 CZ ARG A 29 2.190 1.792 2.356 1.00 1.00 C ATOM 479 NH1 ARG A 29 1.109 1.588 3.059 1.00 1.00 N ATOM 480 NH2 ARG A 29 3.285 2.198 2.943 1.00 1.00 N ATOM 0 H ARG A 29 0.351 1.679 -3.761 1.00 1.00 H new ATOM 0 HA ARG A 29 -0.502 2.999 -1.403 1.00 1.00 H new ATOM 0 HB2 ARG A 29 2.229 2.338 -2.605 1.00 1.00 H new ATOM 0 HB3 ARG A 29 2.049 3.055 -1.017 1.00 1.00 H new ATOM 0 HG2 ARG A 29 0.437 0.565 -1.666 1.00 1.00 H new ATOM 0 HG3 ARG A 29 2.144 0.383 -1.314 1.00 1.00 H new ATOM 0 HD2 ARG A 29 0.173 1.858 0.510 1.00 1.00 H new ATOM 0 HD3 ARG A 29 0.653 0.188 0.738 1.00 1.00 H new ATOM 0 HE ARG A 29 3.041 1.747 0.510 1.00 1.00 H new ATOM 0 HH11 ARG A 29 0.254 1.272 2.600 1.00 1.00 H new ATOM 0 HH12 ARG A 29 1.119 1.745 4.067 1.00 1.00 H new ATOM 0 HH21 ARG A 29 4.129 2.358 2.393 1.00 1.00 H new ATOM 0 HH22 ARG A 29 3.295 2.355 3.951 1.00 1.00 H new ATOM 494 N ALA A 30 0.971 4.843 -3.692 1.00 1.00 N ATOM 495 CA ALA A 30 1.247 6.218 -4.097 1.00 1.00 C ATOM 496 C ALA A 30 -0.044 7.031 -4.171 1.00 1.00 C ATOM 497 O ALA A 30 -0.082 8.187 -3.752 1.00 1.00 O ATOM 498 CB ALA A 30 1.934 6.223 -5.464 1.00 1.00 C ATOM 0 H ALA A 30 1.192 4.141 -4.399 1.00 1.00 H new ATOM 0 HA ALA A 30 1.902 6.673 -3.354 1.00 1.00 H new ATOM 0 HB1 ALA A 30 2.139 7.251 -5.764 1.00 1.00 H new ATOM 0 HB2 ALA A 30 2.871 5.669 -5.402 1.00 1.00 H new ATOM 0 HB3 ALA A 30 1.282 5.753 -6.200 1.00 1.00 H new ATOM 504 N LYS A 31 -1.099 6.418 -4.701 1.00 1.00 N ATOM 505 CA LYS A 31 -2.383 7.098 -4.818 1.00 1.00 C ATOM 506 C LYS A 31 -2.929 7.445 -3.433 1.00 1.00 C ATOM 507 O LYS A 31 -3.458 8.536 -3.218 1.00 1.00 O ATOM 508 CB LYS A 31 -3.385 6.209 -5.564 1.00 1.00 C ATOM 509 CG LYS A 31 -2.971 6.088 -7.034 1.00 1.00 C ATOM 510 CD LYS A 31 -3.959 5.180 -7.776 1.00 1.00 C ATOM 511 CE LYS A 31 -3.501 4.993 -9.227 1.00 1.00 C ATOM 512 NZ LYS A 31 -3.431 6.317 -9.902 1.00 1.00 N ATOM 0 H LYS A 31 -1.090 5.461 -5.053 1.00 1.00 H new ATOM 0 HA LYS A 31 -2.237 8.020 -5.380 1.00 1.00 H new ATOM 0 HB2 LYS A 31 -3.423 5.222 -5.104 1.00 1.00 H new ATOM 0 HB3 LYS A 31 -4.387 6.633 -5.492 1.00 1.00 H new ATOM 0 HG2 LYS A 31 -2.949 7.074 -7.498 1.00 1.00 H new ATOM 0 HG3 LYS A 31 -1.963 5.680 -7.106 1.00 1.00 H new ATOM 0 HD2 LYS A 31 -4.023 4.213 -7.278 1.00 1.00 H new ATOM 0 HD3 LYS A 31 -4.957 5.617 -7.753 1.00 1.00 H new ATOM 0 HE2 LYS A 31 -2.525 4.509 -9.251 1.00 1.00 H new ATOM 0 HE3 LYS A 31 -4.194 4.340 -9.757 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 -3.423 6.181 -10.933 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 -4.258 6.887 -9.634 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 -2.562 6.809 -9.611 1.00 1.00 H new ATOM 526 N ALA A 32 -2.793 6.510 -2.499 1.00 1.00 N ATOM 527 CA ALA A 32 -3.269 6.724 -1.137 1.00 1.00 C ATOM 528 C ALA A 32 -2.521 7.881 -0.488 1.00 1.00 C ATOM 529 O ALA A 32 -3.025 8.509 0.445 1.00 1.00 O ATOM 530 CB ALA A 32 -3.070 5.450 -0.310 1.00 1.00 C ATOM 0 H ALA A 32 -2.359 5.601 -2.659 1.00 1.00 H new ATOM 0 HA ALA A 32 -4.330 6.969 -1.173 1.00 1.00 H new ATOM 0 HB1 ALA A 32 -3.427 5.616 0.706 1.00 1.00 H new ATOM 0 HB2 ALA A 32 -3.630 4.631 -0.762 1.00 1.00 H new ATOM 0 HB3 ALA A 32 -2.011 5.194 -0.285 1.00 1.00 H new ATOM 536 N LEU A 33 -1.310 8.165 -0.985 1.00 1.00 N ATOM 537 CA LEU A 33 -0.502 9.255 -0.437 1.00 1.00 C ATOM 538 C LEU A 33 0.207 10.016 -1.556 1.00 1.00 C ATOM 539 O LEU A 33 1.361 9.741 -1.882 1.00 1.00 O ATOM 540 CB LEU A 33 0.528 8.694 0.564 1.00 1.00 C ATOM 541 CG LEU A 33 0.866 9.751 1.632 1.00 1.00 C ATOM 542 CD1 LEU A 33 1.317 11.049 0.945 1.00 1.00 C ATOM 543 CD2 LEU A 33 -0.372 10.027 2.530 1.00 1.00 C ATOM 0 H LEU A 33 -0.875 7.660 -1.757 1.00 1.00 H new ATOM 0 HA LEU A 33 -1.161 9.949 0.084 1.00 1.00 H new ATOM 0 HB2 LEU A 33 0.130 7.799 1.042 1.00 1.00 H new ATOM 0 HB3 LEU A 33 1.434 8.398 0.036 1.00 1.00 H new ATOM 0 HG LEU A 33 1.673 9.375 2.261 1.00 1.00 H new ATOM 0 HD11 LEU A 33 1.556 11.797 1.701 1.00 1.00 H new ATOM 0 HD12 LEU A 33 2.201 10.851 0.338 1.00 1.00 H new ATOM 0 HD13 LEU A 33 0.515 11.421 0.308 1.00 1.00 H new ATOM 0 HD21 LEU A 33 -0.118 10.776 3.280 1.00 1.00 H new ATOM 0 HD22 LEU A 33 -1.193 10.394 1.915 1.00 1.00 H new ATOM 0 HD23 LEU A 33 -0.674 9.105 3.026 1.00 1.00 H new ATOM 555 N ASP A 34 -0.498 10.977 -2.137 1.00 1.00 N ATOM 556 CA ASP A 34 0.062 11.781 -3.213 1.00 1.00 C ATOM 557 C ASP A 34 1.174 12.699 -2.694 1.00 1.00 C ATOM 558 O ASP A 34 2.070 13.085 -3.443 1.00 1.00 O ATOM 559 CB ASP A 34 -1.046 12.607 -3.862 1.00 1.00 C ATOM 560 CG ASP A 34 -0.564 13.198 -5.182 1.00 1.00 C ATOM 561 OD1 ASP A 34 0.428 12.712 -5.702 1.00 1.00 O ATOM 562 OD2 ASP A 34 -1.196 14.128 -5.657 1.00 1.00 O ATOM 0 H ASP A 34 -1.456 11.218 -1.882 1.00 1.00 H new ATOM 0 HA ASP A 34 0.499 11.113 -3.955 1.00 1.00 H new ATOM 0 HB2 ASP A 34 -1.922 11.981 -4.035 1.00 1.00 H new ATOM 0 HB3 ASP A 34 -1.354 13.407 -3.189 1.00 1.00 H new ATOM 567 N LEU A 35 1.106 13.041 -1.408 1.00 1.00 N ATOM 568 CA LEU A 35 2.112 13.910 -0.787 1.00 1.00 C ATOM 569 C LEU A 35 1.848 15.384 -1.124 1.00 1.00 C ATOM 570 O LEU A 35 2.553 15.987 -1.933 1.00 1.00 O ATOM 571 CB LEU A 35 3.525 13.498 -1.257 1.00 1.00 C ATOM 572 CG LEU A 35 4.561 13.799 -0.166 1.00 1.00 C ATOM 573 CD1 LEU A 35 5.936 13.308 -0.621 1.00 1.00 C ATOM 574 CD2 LEU A 35 4.620 15.307 0.089 1.00 1.00 C ATOM 0 H LEU A 35 0.368 12.732 -0.775 1.00 1.00 H new ATOM 0 HA LEU A 35 2.047 13.794 0.295 1.00 1.00 H new ATOM 0 HB2 LEU A 35 3.539 12.435 -1.498 1.00 1.00 H new ATOM 0 HB3 LEU A 35 3.782 14.035 -2.170 1.00 1.00 H new ATOM 0 HG LEU A 35 4.274 13.288 0.753 1.00 1.00 H new ATOM 0 HD11 LEU A 35 6.673 13.521 0.153 1.00 1.00 H new ATOM 0 HD12 LEU A 35 5.898 12.233 -0.800 1.00 1.00 H new ATOM 0 HD13 LEU A 35 6.219 13.819 -1.541 1.00 1.00 H new ATOM 0 HD21 LEU A 35 5.357 15.516 0.864 1.00 1.00 H new ATOM 0 HD22 LEU A 35 4.904 15.821 -0.830 1.00 1.00 H new ATOM 0 HD23 LEU A 35 3.641 15.660 0.414 1.00 1.00 H new ATOM 586 N PRO A 36 0.853 15.971 -0.513 1.00 1.00 N ATOM 587 CA PRO A 36 0.496 17.407 -0.742 1.00 1.00 C ATOM 588 C PRO A 36 1.642 18.354 -0.369 1.00 1.00 C ATOM 589 O PRO A 36 2.405 18.085 0.560 1.00 1.00 O ATOM 590 CB PRO A 36 -0.748 17.631 0.149 1.00 1.00 C ATOM 591 CG PRO A 36 -1.263 16.256 0.466 1.00 1.00 C ATOM 592 CD PRO A 36 -0.046 15.336 0.462 1.00 1.00 C ATOM 0 HA PRO A 36 0.300 17.619 -1.793 1.00 1.00 H new ATOM 0 HB2 PRO A 36 -0.488 18.173 1.058 1.00 1.00 H new ATOM 0 HB3 PRO A 36 -1.502 18.223 -0.370 1.00 1.00 H new ATOM 0 HG2 PRO A 36 -1.760 16.240 1.436 1.00 1.00 H new ATOM 0 HG3 PRO A 36 -1.997 15.935 -0.273 1.00 1.00 H new ATOM 0 HD2 PRO A 36 0.412 15.270 1.449 1.00 1.00 H new ATOM 0 HD3 PRO A 36 -0.310 14.321 0.165 1.00 1.00 H new ATOM 600 N LYS A 37 1.753 19.458 -1.104 1.00 1.00 N ATOM 601 CA LYS A 37 2.808 20.440 -0.854 1.00 1.00 C ATOM 602 C LYS A 37 2.728 20.987 0.573 1.00 1.00 C ATOM 603 O LYS A 37 1.658 21.379 1.038 1.00 1.00 O ATOM 604 CB LYS A 37 2.678 21.600 -1.848 1.00 1.00 C ATOM 605 CG LYS A 37 3.014 21.110 -3.261 1.00 1.00 C ATOM 606 CD LYS A 37 2.999 22.288 -4.248 1.00 1.00 C ATOM 607 CE LYS A 37 1.557 22.693 -4.582 1.00 1.00 C ATOM 608 NZ LYS A 37 1.568 23.669 -5.706 1.00 1.00 N ATOM 0 H LYS A 37 1.129 19.696 -1.875 1.00 1.00 H new ATOM 0 HA LYS A 37 3.770 19.944 -0.981 1.00 1.00 H new ATOM 0 HB2 LYS A 37 1.665 22.001 -1.823 1.00 1.00 H new ATOM 0 HB3 LYS A 37 3.349 22.411 -1.565 1.00 1.00 H new ATOM 0 HG2 LYS A 37 3.995 20.635 -3.265 1.00 1.00 H new ATOM 0 HG3 LYS A 37 2.293 20.355 -3.573 1.00 1.00 H new ATOM 0 HD2 LYS A 37 3.531 23.137 -3.818 1.00 1.00 H new ATOM 0 HD3 LYS A 37 3.526 22.011 -5.161 1.00 1.00 H new ATOM 0 HE2 LYS A 37 0.974 21.813 -4.855 1.00 1.00 H new ATOM 0 HE3 LYS A 37 1.079 23.134 -3.707 1.00 1.00 H new ATOM 0 HZ1 LYS A 37 0.592 23.946 -5.935 1.00 1.00 H new ATOM 0 HZ2 LYS A 37 2.111 24.512 -5.429 1.00 1.00 H new ATOM 0 HZ3 LYS A 37 2.009 23.232 -6.541 1.00 1.00 H new ATOM 622 N GLU A 38 3.874 21.021 1.257 1.00 1.00 N ATOM 623 CA GLU A 38 3.927 21.534 2.628 1.00 1.00 C ATOM 624 C GLU A 38 5.342 22.011 2.971 1.00 1.00 C ATOM 625 O GLU A 38 5.530 22.807 3.891 1.00 1.00 O ATOM 626 CB GLU A 38 3.474 20.446 3.614 1.00 1.00 C ATOM 627 CG GLU A 38 3.456 21.009 5.042 1.00 1.00 C ATOM 628 CD GLU A 38 2.948 19.945 6.016 1.00 1.00 C ATOM 629 OE1 GLU A 38 2.864 18.795 5.619 1.00 1.00 O ATOM 630 OE2 GLU A 38 2.653 20.299 7.148 1.00 1.00 O ATOM 0 H GLU A 38 4.770 20.703 0.888 1.00 1.00 H new ATOM 0 HA GLU A 38 3.251 22.386 2.708 1.00 1.00 H new ATOM 0 HB2 GLU A 38 2.481 20.088 3.343 1.00 1.00 H new ATOM 0 HB3 GLU A 38 4.147 19.591 3.560 1.00 1.00 H new ATOM 0 HG2 GLU A 38 4.458 21.328 5.329 1.00 1.00 H new ATOM 0 HG3 GLU A 38 2.816 21.890 5.087 1.00 1.00 H new ATOM 637 N ILE A 39 6.332 21.532 2.216 1.00 1.00 N ATOM 638 CA ILE A 39 7.719 21.931 2.448 1.00 1.00 C ATOM 639 C ILE A 39 7.912 23.413 2.126 1.00 1.00 C ATOM 640 O ILE A 39 8.612 24.129 2.844 1.00 1.00 O ATOM 641 CB ILE A 39 8.665 21.088 1.578 1.00 1.00 C ATOM 642 CG1 ILE A 39 10.117 21.355 1.985 1.00 1.00 C ATOM 643 CG2 ILE A 39 8.482 21.457 0.104 1.00 1.00 C ATOM 644 CD1 ILE A 39 11.030 20.329 1.309 1.00 1.00 C ATOM 0 H ILE A 39 6.201 20.875 1.447 1.00 1.00 H new ATOM 0 HA ILE A 39 7.952 21.765 3.500 1.00 1.00 H new ATOM 0 HB ILE A 39 8.432 20.033 1.722 1.00 1.00 H new ATOM 0 HG12 ILE A 39 10.408 22.365 1.695 1.00 1.00 H new ATOM 0 HG13 ILE A 39 10.220 21.292 3.068 1.00 1.00 H new ATOM 0 HG21 ILE A 39 9.155 20.856 -0.508 1.00 1.00 H new ATOM 0 HG22 ILE A 39 7.451 21.264 -0.194 1.00 1.00 H new ATOM 0 HG23 ILE A 39 8.709 22.514 -0.037 1.00 1.00 H new ATOM 0 HD11 ILE A 39 12.064 20.517 1.597 1.00 1.00 H new ATOM 0 HD12 ILE A 39 10.743 19.325 1.621 1.00 1.00 H new ATOM 0 HD13 ILE A 39 10.934 20.414 0.227 1.00 1.00 H new ATOM 656 N GLY A 40 7.293 23.861 1.037 1.00 1.00 N ATOM 657 CA GLY A 40 7.405 25.257 0.614 1.00 1.00 C ATOM 658 C GLY A 40 6.721 26.205 1.600 1.00 1.00 C ATOM 659 O GLY A 40 5.906 25.782 2.421 1.00 1.00 O ATOM 0 H GLY A 40 6.711 23.282 0.432 1.00 1.00 H new ATOM 0 HA2 GLY A 40 8.457 25.526 0.522 1.00 1.00 H new ATOM 0 HA3 GLY A 40 6.958 25.375 -0.373 1.00 1.00 H new ATOM 663 N GLY A 41 7.057 27.493 1.502 1.00 1.00 N ATOM 664 CA GLY A 41 6.470 28.509 2.377 1.00 1.00 C ATOM 665 C GLY A 41 6.972 28.369 3.816 1.00 1.00 C ATOM 666 O GLY A 41 6.183 28.186 4.743 1.00 1.00 O ATOM 0 H GLY A 41 7.731 27.856 0.827 1.00 1.00 H new ATOM 0 HA2 GLY A 41 6.716 29.502 2.000 1.00 1.00 H new ATOM 0 HA3 GLY A 41 5.384 28.422 2.360 1.00 1.00 H new ATOM 670 N ARG A 42 8.291 28.454 3.996 1.00 1.00 N ATOM 671 CA ARG A 42 8.887 28.329 5.326 1.00 1.00 C ATOM 672 C ARG A 42 8.630 29.574 6.174 1.00 1.00 C ATOM 673 O ARG A 42 8.563 30.689 5.655 1.00 1.00 O ATOM 674 CB ARG A 42 10.395 28.096 5.196 1.00 1.00 C ATOM 675 CG ARG A 42 10.643 26.711 4.599 1.00 1.00 C ATOM 676 CD ARG A 42 12.146 26.480 4.438 1.00 1.00 C ATOM 677 NE ARG A 42 12.395 25.165 3.856 1.00 1.00 N ATOM 678 CZ ARG A 42 12.473 24.075 4.617 1.00 1.00 C ATOM 679 NH1 ARG A 42 12.311 24.169 5.911 1.00 1.00 N ATOM 680 NH2 ARG A 42 12.711 22.910 4.073 1.00 1.00 N ATOM 0 H ARG A 42 8.962 28.608 3.243 1.00 1.00 H new ATOM 0 HA ARG A 42 8.422 27.479 5.825 1.00 1.00 H new ATOM 0 HB2 ARG A 42 10.840 28.863 4.562 1.00 1.00 H new ATOM 0 HB3 ARG A 42 10.872 28.174 6.173 1.00 1.00 H new ATOM 0 HG2 ARG A 42 10.215 25.944 5.245 1.00 1.00 H new ATOM 0 HG3 ARG A 42 10.147 26.627 3.632 1.00 1.00 H new ATOM 0 HD2 ARG A 42 12.574 27.254 3.801 1.00 1.00 H new ATOM 0 HD3 ARG A 42 12.639 26.556 5.407 1.00 1.00 H new ATOM 0 HE ARG A 42 12.512 25.079 2.846 1.00 1.00 H new ATOM 0 HH11 ARG A 42 12.125 25.077 6.337 1.00 1.00 H new ATOM 0 HH12 ARG A 42 12.371 23.334 6.494 1.00 1.00 H new ATOM 0 HH21 ARG A 42 12.837 22.835 3.064 1.00 1.00 H new ATOM 0 HH22 ARG A 42 12.770 22.077 4.658 1.00 1.00 H new ATOM 694 N ASN A 43 8.486 29.370 7.488 1.00 1.00 N ATOM 695 CA ASN A 43 8.231 30.471 8.422 1.00 1.00 C ATOM 696 C ASN A 43 9.524 30.913 9.109 1.00 1.00 C ATOM 697 O ASN A 43 10.379 30.088 9.437 1.00 1.00 O ATOM 698 CB ASN A 43 7.214 30.026 9.474 1.00 1.00 C ATOM 699 CG ASN A 43 5.837 29.878 8.834 1.00 1.00 C ATOM 700 OD1 ASN A 43 5.589 30.426 7.760 1.00 1.00 O ATOM 701 ND2 ASN A 43 4.919 29.165 9.434 1.00 1.00 N ATOM 0 H ASN A 43 8.542 28.452 7.928 1.00 1.00 H new ATOM 0 HA ASN A 43 7.833 31.316 7.861 1.00 1.00 H new ATOM 0 HB2 ASN A 43 7.524 29.078 9.914 1.00 1.00 H new ATOM 0 HB3 ASN A 43 7.172 30.755 10.283 1.00 1.00 H new ATOM 0 HD21 ASN A 43 3.996 29.062 9.012 1.00 1.00 H new ATOM 0 HD22 ASN A 43 5.126 28.712 10.324 1.00 1.00 H new ATOM 708 N GLY A 44 9.659 32.221 9.321 1.00 1.00 N ATOM 709 CA GLY A 44 10.849 32.771 9.966 1.00 1.00 C ATOM 710 C GLY A 44 10.589 34.188 10.479 1.00 1.00 C ATOM 711 O GLY A 44 11.285 35.134 10.107 1.00 1.00 O ATOM 0 H GLY A 44 8.962 32.917 9.057 1.00 1.00 H new ATOM 0 HA2 GLY A 44 11.147 32.129 10.795 1.00 1.00 H new ATOM 0 HA3 GLY A 44 11.678 32.783 9.258 1.00 1.00 H new ATOM 715 N PRO A 45 9.601 34.345 11.322 1.00 1.00 N ATOM 716 CA PRO A 45 9.225 35.672 11.904 1.00 1.00 C ATOM 717 C PRO A 45 10.215 36.148 12.970 1.00 1.00 C ATOM 718 O PRO A 45 10.910 35.348 13.594 1.00 1.00 O ATOM 719 CB PRO A 45 7.835 35.412 12.496 1.00 1.00 C ATOM 720 CG PRO A 45 7.878 33.972 12.892 1.00 1.00 C ATOM 721 CD PRO A 45 8.721 33.271 11.821 1.00 1.00 C ATOM 0 HA PRO A 45 9.234 36.470 11.161 1.00 1.00 H new ATOM 0 HB2 PRO A 45 7.639 36.056 13.353 1.00 1.00 H new ATOM 0 HB3 PRO A 45 7.048 35.603 11.767 1.00 1.00 H new ATOM 0 HG2 PRO A 45 8.322 33.851 13.880 1.00 1.00 H new ATOM 0 HG3 PRO A 45 6.875 33.549 12.939 1.00 1.00 H new ATOM 0 HD2 PRO A 45 9.294 32.443 12.239 1.00 1.00 H new ATOM 0 HD3 PRO A 45 8.099 32.859 11.026 1.00 1.00 H new ATOM 729 N GLU A 46 10.267 37.464 13.158 1.00 1.00 N ATOM 730 CA GLU A 46 11.172 38.064 14.134 1.00 1.00 C ATOM 731 C GLU A 46 10.998 37.424 15.522 1.00 1.00 C ATOM 732 O GLU A 46 9.909 36.968 15.866 1.00 1.00 O ATOM 733 CB GLU A 46 10.905 39.580 14.224 1.00 1.00 C ATOM 734 CG GLU A 46 9.389 39.855 14.230 1.00 1.00 C ATOM 735 CD GLU A 46 8.843 39.886 12.803 1.00 1.00 C ATOM 736 OE1 GLU A 46 9.221 40.779 12.063 1.00 1.00 O ATOM 737 OE2 GLU A 46 8.053 39.018 12.472 1.00 1.00 O ATOM 0 H GLU A 46 9.693 38.135 12.647 1.00 1.00 H new ATOM 0 HA GLU A 46 12.196 37.888 13.804 1.00 1.00 H new ATOM 0 HB2 GLU A 46 11.358 39.983 15.129 1.00 1.00 H new ATOM 0 HB3 GLU A 46 11.371 40.089 13.380 1.00 1.00 H new ATOM 0 HG2 GLU A 46 8.876 39.084 14.805 1.00 1.00 H new ATOM 0 HG3 GLU A 46 9.188 40.806 14.723 1.00 1.00 H new ATOM 744 N PRO A 47 12.047 37.391 16.323 1.00 1.00 N ATOM 745 CA PRO A 47 11.999 36.802 17.700 1.00 1.00 C ATOM 746 C PRO A 47 11.113 37.618 18.647 1.00 1.00 C ATOM 747 O PRO A 47 10.958 38.827 18.481 1.00 1.00 O ATOM 748 CB PRO A 47 13.472 36.805 18.151 1.00 1.00 C ATOM 749 CG PRO A 47 14.113 37.900 17.357 1.00 1.00 C ATOM 750 CD PRO A 47 13.394 37.914 16.009 1.00 1.00 C ATOM 0 HA PRO A 47 11.558 35.805 17.709 1.00 1.00 H new ATOM 0 HB2 PRO A 47 13.557 36.991 19.222 1.00 1.00 H new ATOM 0 HB3 PRO A 47 13.948 35.844 17.955 1.00 1.00 H new ATOM 0 HG2 PRO A 47 14.013 38.860 17.863 1.00 1.00 H new ATOM 0 HG3 PRO A 47 15.180 37.717 17.229 1.00 1.00 H new ATOM 0 HD2 PRO A 47 13.345 38.920 15.592 1.00 1.00 H new ATOM 0 HD3 PRO A 47 13.905 37.289 15.276 1.00 1.00 H new ATOM 758 N VAL A 48 10.524 36.941 19.632 1.00 1.00 N ATOM 759 CA VAL A 48 9.640 37.605 20.589 1.00 1.00 C ATOM 760 C VAL A 48 10.436 38.302 21.700 1.00 1.00 C ATOM 761 O VAL A 48 10.110 38.169 22.878 1.00 1.00 O ATOM 762 CB VAL A 48 8.685 36.573 21.209 1.00 1.00 C ATOM 763 CG1 VAL A 48 7.470 37.282 21.812 1.00 1.00 C ATOM 764 CG2 VAL A 48 8.210 35.597 20.129 1.00 1.00 C ATOM 0 H VAL A 48 10.642 35.940 19.788 1.00 1.00 H new ATOM 0 HA VAL A 48 9.072 38.365 20.053 1.00 1.00 H new ATOM 0 HB VAL A 48 9.213 36.028 21.992 1.00 1.00 H new ATOM 0 HG11 VAL A 48 6.798 36.544 22.249 1.00 1.00 H new ATOM 0 HG12 VAL A 48 7.800 37.975 22.585 1.00 1.00 H new ATOM 0 HG13 VAL A 48 6.945 37.833 21.031 1.00 1.00 H new ATOM 0 HG21 VAL A 48 7.533 34.866 20.571 1.00 1.00 H new ATOM 0 HG22 VAL A 48 7.689 36.147 19.345 1.00 1.00 H new ATOM 0 HG23 VAL A 48 9.070 35.082 19.700 1.00 1.00 H new ATOM 774 N ARG A 49 11.469 39.051 21.312 1.00 1.00 N ATOM 775 CA ARG A 49 12.303 39.777 22.276 1.00 1.00 C ATOM 776 C ARG A 49 12.899 38.830 23.320 1.00 1.00 C ATOM 777 O ARG A 49 14.095 38.536 23.291 1.00 1.00 O ATOM 778 CB ARG A 49 11.477 40.866 22.976 1.00 1.00 C ATOM 779 CG ARG A 49 11.148 41.979 21.976 1.00 1.00 C ATOM 780 CD ARG A 49 10.288 43.055 22.652 1.00 1.00 C ATOM 781 NE ARG A 49 8.967 42.518 22.956 1.00 1.00 N ATOM 782 CZ ARG A 49 8.035 43.248 23.572 1.00 1.00 C ATOM 783 NH1 ARG A 49 8.282 44.486 23.925 1.00 1.00 N ATOM 784 NH2 ARG A 49 6.865 42.726 23.824 1.00 1.00 N ATOM 0 H ARG A 49 11.749 39.172 20.339 1.00 1.00 H new ATOM 0 HA ARG A 49 13.123 40.240 21.726 1.00 1.00 H new ATOM 0 HB2 ARG A 49 10.558 40.439 23.377 1.00 1.00 H new ATOM 0 HB3 ARG A 49 12.034 41.274 23.820 1.00 1.00 H new ATOM 0 HG2 ARG A 49 12.069 42.423 21.597 1.00 1.00 H new ATOM 0 HG3 ARG A 49 10.618 41.564 21.119 1.00 1.00 H new ATOM 0 HD2 ARG A 49 10.771 43.396 23.568 1.00 1.00 H new ATOM 0 HD3 ARG A 49 10.196 43.922 21.998 1.00 1.00 H new ATOM 0 HE ARG A 49 8.749 41.558 22.690 1.00 1.00 H new ATOM 0 HH11 ARG A 49 9.193 44.900 23.729 1.00 1.00 H new ATOM 0 HH12 ARG A 49 7.563 45.035 24.395 1.00 1.00 H new ATOM 0 HH21 ARG A 49 6.666 41.764 23.550 1.00 1.00 H new ATOM 0 HH22 ARG A 49 6.150 43.280 24.295 1.00 1.00 H new ATOM 798 N PHE A 50 12.065 38.356 24.240 1.00 1.00 N ATOM 799 CA PHE A 50 12.531 37.446 25.285 1.00 1.00 C ATOM 800 C PHE A 50 13.044 36.144 24.667 1.00 1.00 C ATOM 801 O PHE A 50 14.084 35.623 25.068 1.00 1.00 O ATOM 802 CB PHE A 50 11.392 37.144 26.264 1.00 1.00 C ATOM 803 CG PHE A 50 11.058 38.391 27.052 1.00 1.00 C ATOM 804 CD1 PHE A 50 11.744 38.676 28.240 1.00 1.00 C ATOM 805 CD2 PHE A 50 10.059 39.262 26.595 1.00 1.00 C ATOM 806 CE1 PHE A 50 11.433 39.832 28.968 1.00 1.00 C ATOM 807 CE2 PHE A 50 9.749 40.417 27.324 1.00 1.00 C ATOM 808 CZ PHE A 50 10.436 40.701 28.511 1.00 1.00 C ATOM 0 H PHE A 50 11.072 38.583 24.285 1.00 1.00 H new ATOM 0 HA PHE A 50 13.348 37.925 25.824 1.00 1.00 H new ATOM 0 HB2 PHE A 50 10.513 36.799 25.720 1.00 1.00 H new ATOM 0 HB3 PHE A 50 11.684 36.341 26.941 1.00 1.00 H new ATOM 0 HD1 PHE A 50 12.512 38.005 28.594 1.00 1.00 H new ATOM 0 HD2 PHE A 50 9.528 39.042 25.680 1.00 1.00 H new ATOM 0 HE1 PHE A 50 11.963 40.053 29.883 1.00 1.00 H new ATOM 0 HE2 PHE A 50 8.980 41.089 26.971 1.00 1.00 H new ATOM 0 HZ PHE A 50 10.196 41.591 29.074 1.00 1.00 H new ATOM 818 N GLY A 51 12.309 35.629 23.686 1.00 1.00 N ATOM 819 CA GLY A 51 12.702 34.396 23.016 1.00 1.00 C ATOM 820 C GLY A 51 12.352 33.170 23.856 1.00 1.00 C ATOM 821 O GLY A 51 11.471 33.220 24.711 1.00 1.00 O ATOM 0 H GLY A 51 11.444 36.044 23.340 1.00 1.00 H new ATOM 0 HA2 GLY A 51 12.203 34.331 22.049 1.00 1.00 H new ATOM 0 HA3 GLY A 51 13.774 34.412 22.821 1.00 1.00 H new ATOM 825 N ASP A 52 13.044 32.064 23.588 1.00 1.00 N ATOM 826 CA ASP A 52 12.801 30.814 24.306 1.00 1.00 C ATOM 827 C ASP A 52 13.558 30.783 25.631 1.00 1.00 C ATOM 828 O ASP A 52 14.357 31.673 25.919 1.00 1.00 O ATOM 829 CB ASP A 52 13.227 29.633 23.431 1.00 1.00 C ATOM 830 CG ASP A 52 14.720 29.719 23.124 1.00 1.00 C ATOM 831 OD1 ASP A 52 15.388 30.528 23.746 1.00 1.00 O ATOM 832 OD2 ASP A 52 15.172 28.977 22.267 1.00 1.00 O ATOM 0 H ASP A 52 13.776 32.008 22.880 1.00 1.00 H new ATOM 0 HA ASP A 52 11.736 30.743 24.527 1.00 1.00 H new ATOM 0 HB2 ASP A 52 13.006 28.695 23.940 1.00 1.00 H new ATOM 0 HB3 ASP A 52 12.656 29.634 22.502 1.00 1.00 H new ATOM 837 N TRP A 53 13.297 29.749 26.439 1.00 1.00 N ATOM 838 CA TRP A 53 13.950 29.601 27.744 1.00 1.00 C ATOM 839 C TRP A 53 15.085 28.584 27.664 1.00 1.00 C ATOM 840 O TRP A 53 14.990 27.597 26.934 1.00 1.00 O ATOM 841 CB TRP A 53 12.930 29.135 28.786 1.00 1.00 C ATOM 842 CG TRP A 53 11.679 29.949 28.683 1.00 1.00 C ATOM 843 CD1 TRP A 53 11.628 31.299 28.604 1.00 1.00 C ATOM 844 CD2 TRP A 53 10.298 29.486 28.656 1.00 1.00 C ATOM 845 NE1 TRP A 53 10.301 31.692 28.531 1.00 1.00 N ATOM 846 CE2 TRP A 53 9.444 30.610 28.557 1.00 1.00 C ATOM 847 CE3 TRP A 53 9.712 28.211 28.705 1.00 1.00 C ATOM 848 CZ2 TRP A 53 8.056 30.471 28.511 1.00 1.00 C ATOM 849 CZ3 TRP A 53 8.315 28.066 28.659 1.00 1.00 C ATOM 850 CH2 TRP A 53 7.490 29.195 28.563 1.00 1.00 C ATOM 0 H TRP A 53 12.639 29.003 26.212 1.00 1.00 H new ATOM 0 HA TRP A 53 14.359 30.569 28.035 1.00 1.00 H new ATOM 0 HB2 TRP A 53 12.700 28.080 28.634 1.00 1.00 H new ATOM 0 HB3 TRP A 53 13.352 29.229 29.786 1.00 1.00 H new ATOM 0 HD1 TRP A 53 12.481 31.961 28.599 1.00 1.00 H new ATOM 0 HE1 TRP A 53 9.995 32.663 28.466 1.00 1.00 H new ATOM 0 HE3 TRP A 53 10.340 27.335 28.779 1.00 1.00 H new ATOM 0 HZ2 TRP A 53 7.424 31.344 28.436 1.00 1.00 H new ATOM 0 HZ3 TRP A 53 7.875 27.080 28.698 1.00 1.00 H new ATOM 0 HH2 TRP A 53 6.417 29.078 28.529 1.00 1.00 H new ATOM 861 N GLU A 54 16.159 28.828 28.416 1.00 1.00 N ATOM 862 CA GLU A 54 17.317 27.925 28.422 1.00 1.00 C ATOM 863 C GLU A 54 17.869 27.741 29.838 1.00 1.00 C ATOM 864 O GLU A 54 19.082 27.669 30.038 1.00 1.00 O ATOM 865 CB GLU A 54 18.408 28.479 27.498 1.00 1.00 C ATOM 866 CG GLU A 54 18.864 29.858 27.988 1.00 1.00 C ATOM 867 CD GLU A 54 19.953 30.398 27.066 1.00 1.00 C ATOM 868 OE1 GLU A 54 20.401 29.651 26.211 1.00 1.00 O ATOM 869 OE2 GLU A 54 20.321 31.550 27.226 1.00 1.00 O ATOM 0 H GLU A 54 16.254 29.639 29.027 1.00 1.00 H new ATOM 0 HA GLU A 54 16.994 26.949 28.059 1.00 1.00 H new ATOM 0 HB2 GLU A 54 19.256 27.795 27.473 1.00 1.00 H new ATOM 0 HB3 GLU A 54 18.029 28.554 26.479 1.00 1.00 H new ATOM 0 HG2 GLU A 54 18.018 30.545 28.009 1.00 1.00 H new ATOM 0 HG3 GLU A 54 19.241 29.786 29.008 1.00 1.00 H new ATOM 876 N LYS A 55 16.966 27.668 30.813 1.00 1.00 N ATOM 877 CA LYS A 55 17.351 27.496 32.216 1.00 1.00 C ATOM 878 C LYS A 55 18.056 26.154 32.453 1.00 1.00 C ATOM 879 O LYS A 55 19.038 26.090 33.191 1.00 1.00 O ATOM 880 CB LYS A 55 16.102 27.597 33.098 1.00 1.00 C ATOM 881 CG LYS A 55 16.492 27.531 34.579 1.00 1.00 C ATOM 882 CD LYS A 55 15.235 27.704 35.441 1.00 1.00 C ATOM 883 CE LYS A 55 15.610 27.659 36.925 1.00 1.00 C ATOM 884 NZ LYS A 55 14.382 27.848 37.751 1.00 1.00 N ATOM 0 H LYS A 55 15.959 27.725 30.659 1.00 1.00 H new ATOM 0 HA LYS A 55 18.057 28.285 32.476 1.00 1.00 H new ATOM 0 HB2 LYS A 55 15.578 28.531 32.894 1.00 1.00 H new ATOM 0 HB3 LYS A 55 15.413 26.787 32.860 1.00 1.00 H new ATOM 0 HG2 LYS A 55 16.970 26.576 34.799 1.00 1.00 H new ATOM 0 HG3 LYS A 55 17.217 28.311 34.811 1.00 1.00 H new ATOM 0 HD2 LYS A 55 14.751 28.653 35.208 1.00 1.00 H new ATOM 0 HD3 LYS A 55 14.517 26.916 35.214 1.00 1.00 H new ATOM 0 HE2 LYS A 55 16.080 26.705 37.164 1.00 1.00 H new ATOM 0 HE3 LYS A 55 16.338 28.438 37.152 1.00 1.00 H new ATOM 0 HZ1 LYS A 55 14.634 27.818 38.760 1.00 1.00 H new ATOM 0 HZ2 LYS A 55 13.952 28.769 37.529 1.00 1.00 H new ATOM 0 HZ3 LYS A 55 13.702 27.089 37.541 1.00 1.00 H new ATOM 898 N LYS A 56 17.553 25.085 31.836 1.00 1.00 N ATOM 899 CA LYS A 56 18.158 23.762 32.013 1.00 1.00 C ATOM 900 C LYS A 56 19.532 23.704 31.352 1.00 1.00 C ATOM 901 O LYS A 56 19.749 24.305 30.300 1.00 1.00 O ATOM 902 CB LYS A 56 17.255 22.681 31.409 1.00 1.00 C ATOM 903 CG LYS A 56 15.970 22.565 32.235 1.00 1.00 C ATOM 904 CD LYS A 56 15.002 21.574 31.567 1.00 1.00 C ATOM 905 CE LYS A 56 15.446 20.130 31.840 1.00 1.00 C ATOM 906 NZ LYS A 56 14.363 19.195 31.425 1.00 1.00 N ATOM 0 H LYS A 56 16.741 25.105 31.218 1.00 1.00 H new ATOM 0 HA LYS A 56 18.272 23.582 33.082 1.00 1.00 H new ATOM 0 HB2 LYS A 56 17.014 22.930 30.376 1.00 1.00 H new ATOM 0 HB3 LYS A 56 17.777 21.724 31.393 1.00 1.00 H new ATOM 0 HG2 LYS A 56 16.206 22.230 33.245 1.00 1.00 H new ATOM 0 HG3 LYS A 56 15.497 23.543 32.326 1.00 1.00 H new ATOM 0 HD2 LYS A 56 13.992 21.729 31.947 1.00 1.00 H new ATOM 0 HD3 LYS A 56 14.970 21.755 30.493 1.00 1.00 H new ATOM 0 HE2 LYS A 56 16.362 19.909 31.292 1.00 1.00 H new ATOM 0 HE3 LYS A 56 15.669 20.000 32.899 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 14.661 18.216 31.609 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 13.499 19.402 31.966 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 14.172 19.314 30.410 1.00 1.00 H new ATOM 920 N GLY A 57 20.463 22.977 31.981 1.00 1.00 N ATOM 921 CA GLY A 57 21.825 22.843 31.454 1.00 1.00 C ATOM 922 C GLY A 57 22.253 21.381 31.412 1.00 1.00 C ATOM 923 O GLY A 57 21.435 20.489 31.200 1.00 1.00 O ATOM 0 H GLY A 57 20.298 22.474 32.853 1.00 1.00 H new ATOM 0 HA2 GLY A 57 21.875 23.269 30.452 1.00 1.00 H new ATOM 0 HA3 GLY A 57 22.517 23.410 32.076 1.00 1.00 H new ATOM 927 N ILE A 58 23.550 21.146 31.608 1.00 1.00 N ATOM 928 CA ILE A 58 24.082 19.789 31.586 1.00 1.00 C ATOM 929 C ILE A 58 23.542 18.982 32.761 1.00 1.00 C ATOM 930 O ILE A 58 23.200 17.808 32.614 1.00 1.00 O ATOM 931 CB ILE A 58 25.615 19.830 31.644 1.00 1.00 C ATOM 932 CG1 ILE A 58 26.174 18.427 31.403 1.00 1.00 C ATOM 933 CG2 ILE A 58 26.069 20.330 33.017 1.00 1.00 C ATOM 934 CD1 ILE A 58 27.686 18.514 31.187 1.00 1.00 C ATOM 0 H ILE A 58 24.245 21.872 31.782 1.00 1.00 H new ATOM 0 HA ILE A 58 23.768 19.308 30.660 1.00 1.00 H new ATOM 0 HB ILE A 58 25.984 20.507 30.874 1.00 1.00 H new ATOM 0 HG12 ILE A 58 25.953 17.784 32.255 1.00 1.00 H new ATOM 0 HG13 ILE A 58 25.696 17.978 30.533 1.00 1.00 H new ATOM 0 HG21 ILE A 58 27.158 20.357 33.053 1.00 1.00 H new ATOM 0 HG22 ILE A 58 25.675 21.332 33.188 1.00 1.00 H new ATOM 0 HG23 ILE A 58 25.697 19.658 33.790 1.00 1.00 H new ATOM 0 HD11 ILE A 58 28.087 17.515 31.015 1.00 1.00 H new ATOM 0 HD12 ILE A 58 27.894 19.143 30.321 1.00 1.00 H new ATOM 0 HD13 ILE A 58 28.155 18.946 32.071 1.00 1.00 H new ATOM 946 N ALA A 59 23.473 19.618 33.929 1.00 1.00 N ATOM 947 CA ALA A 59 22.977 18.956 35.139 1.00 1.00 C ATOM 948 C ALA A 59 22.003 19.861 35.890 1.00 1.00 C ATOM 949 O ALA A 59 21.875 19.767 37.110 1.00 1.00 O ATOM 950 CB ALA A 59 24.153 18.598 36.050 1.00 1.00 C ATOM 0 H ALA A 59 23.753 20.589 34.065 1.00 1.00 H new ATOM 0 HA ALA A 59 22.451 18.047 34.846 1.00 1.00 H new ATOM 0 HB1 ALA A 59 23.781 18.106 36.949 1.00 1.00 H new ATOM 0 HB2 ALA A 59 24.830 17.926 35.523 1.00 1.00 H new ATOM 0 HB3 ALA A 59 24.687 19.506 36.329 1.00 1.00 H new ATOM 956 N ILE A 60 21.318 20.736 35.151 1.00 1.00 N ATOM 957 CA ILE A 60 20.352 21.658 35.753 1.00 1.00 C ATOM 958 C ILE A 60 21.013 22.524 36.833 1.00 1.00 C ATOM 959 O ILE A 60 20.378 23.412 37.405 1.00 1.00 O ATOM 960 CB ILE A 60 19.188 20.856 36.360 1.00 1.00 C ATOM 961 CG1 ILE A 60 18.480 20.078 35.245 1.00 1.00 C ATOM 962 CG2 ILE A 60 18.186 21.805 37.031 1.00 1.00 C ATOM 963 CD1 ILE A 60 17.526 19.053 35.864 1.00 1.00 C ATOM 0 H ILE A 60 21.413 20.826 34.139 1.00 1.00 H new ATOM 0 HA ILE A 60 19.974 22.321 34.975 1.00 1.00 H new ATOM 0 HB ILE A 60 19.579 20.166 37.108 1.00 1.00 H new ATOM 0 HG12 ILE A 60 17.927 20.764 34.603 1.00 1.00 H new ATOM 0 HG13 ILE A 60 19.214 19.574 34.616 1.00 1.00 H new ATOM 0 HG21 ILE A 60 17.366 21.227 37.457 1.00 1.00 H new ATOM 0 HG22 ILE A 60 18.687 22.362 37.823 1.00 1.00 H new ATOM 0 HG23 ILE A 60 17.792 22.501 36.290 1.00 1.00 H new ATOM 0 HD11 ILE A 60 17.022 18.500 35.071 1.00 1.00 H new ATOM 0 HD12 ILE A 60 18.091 18.360 36.488 1.00 1.00 H new ATOM 0 HD13 ILE A 60 16.784 19.568 36.474 1.00 1.00 H new ATOM 975 N ASP A 61 22.294 22.272 37.101 1.00 1.00 N ATOM 976 CA ASP A 61 23.022 23.035 38.107 1.00 1.00 C ATOM 977 C ASP A 61 24.501 22.645 38.116 1.00 1.00 C ATOM 978 O ASP A 61 25.212 22.879 37.138 1.00 1.00 O ATOM 979 CB ASP A 61 22.412 22.802 39.492 1.00 1.00 C ATOM 980 CG ASP A 61 22.364 21.309 39.797 1.00 1.00 C ATOM 981 OD1 ASP A 61 22.972 20.555 39.055 1.00 1.00 O ATOM 982 OD2 ASP A 61 21.719 20.941 40.765 1.00 1.00 O ATOM 0 H ASP A 61 22.844 21.549 36.637 1.00 1.00 H new ATOM 0 HA ASP A 61 22.943 24.093 37.857 1.00 1.00 H new ATOM 0 HB2 ASP A 61 23.002 23.317 40.250 1.00 1.00 H new ATOM 0 HB3 ASP A 61 21.407 23.222 39.531 1.00 1.00 H new ATOM 987 N PHE A 62 24.964 22.059 39.223 1.00 1.00 N ATOM 988 CA PHE A 62 26.370 21.653 39.346 1.00 1.00 C ATOM 989 C PHE A 62 26.490 20.318 40.074 1.00 1.00 C ATOM 990 O PHE A 62 27.332 19.525 39.685 1.00 1.00 O ATOM 991 CB PHE A 62 27.143 22.729 40.114 1.00 1.00 C ATOM 992 CG PHE A 62 28.575 22.293 40.325 1.00 1.00 C ATOM 993 CD1 PHE A 62 29.472 22.290 39.249 1.00 1.00 C ATOM 994 CD2 PHE A 62 29.012 21.905 41.599 1.00 1.00 C ATOM 995 CE1 PHE A 62 30.801 21.898 39.444 1.00 1.00 C ATOM 996 CE2 PHE A 62 30.343 21.514 41.795 1.00 1.00 C ATOM 997 CZ PHE A 62 31.237 21.511 40.718 1.00 1.00 C ATOM 0 H PHE A 62 24.392 21.855 40.043 1.00 1.00 H new ATOM 0 HA PHE A 62 26.788 21.537 38.346 1.00 1.00 H new ATOM 0 HB2 PHE A 62 27.119 23.668 39.562 1.00 1.00 H new ATOM 0 HB3 PHE A 62 26.666 22.913 41.077 1.00 1.00 H new ATOM 0 HD1 PHE A 62 29.137 22.591 38.267 1.00 1.00 H new ATOM 0 HD2 PHE A 62 28.322 21.907 42.430 1.00 1.00 H new ATOM 0 HE1 PHE A 62 31.490 21.894 38.613 1.00 1.00 H new ATOM 0 HE2 PHE A 62 30.679 21.215 42.777 1.00 1.00 H new ATOM 0 HZ PHE A 62 32.263 21.210 40.869 1.00 1.00 H new TER 1007 PHE A 62