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 Set 1.1: A 31 LYS NZ :NH3+ -140:sc= -0.0651 (180deg=-0.497) USER MOD Set 1.2: A 55 LYS NZ :NH3+ -113:sc= -1.15 (180deg=-4.8!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 158:sc= -0.383! (180deg=-2.14!) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot -42:sc= 0.441 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 37 LYS NZ :NH3+ -112:sc= -1.22 (180deg=-3.68!) USER MOD Single : A 43 ASN : amide:sc= -0.0452 X(o=-0.045,f=-0.43) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.956 -25.969 -2.572 1.00 1.00 N ATOM 2 CA MET A 1 -3.218 -25.573 -3.254 1.00 1.00 C ATOM 3 C MET A 1 -4.386 -25.705 -2.281 1.00 1.00 C ATOM 4 O MET A 1 -5.539 -25.496 -2.655 1.00 1.00 O ATOM 5 CB MET A 1 -3.437 -26.475 -4.475 1.00 1.00 C ATOM 6 CG MET A 1 -2.952 -27.894 -4.163 1.00 1.00 C ATOM 7 SD MET A 1 -1.149 -27.957 -4.316 1.00 1.00 S ATOM 8 CE MET A 1 -0.889 -29.461 -3.346 1.00 1.00 C ATOM 0 H1 MET A 1 -1.247 -26.240 -3.283 1.00 1.00 H new ATOM 0 H2 MET A 1 -1.598 -25.169 -2.013 1.00 1.00 H new ATOM 0 H3 MET A 1 -2.140 -26.776 -1.942 1.00 1.00 H new ATOM 0 HA MET A 1 -3.152 -24.536 -3.584 1.00 1.00 H new ATOM 0 HB2 MET A 1 -4.494 -26.492 -4.742 1.00 1.00 H new ATOM 0 HB3 MET A 1 -2.898 -26.077 -5.335 1.00 1.00 H new ATOM 0 HG2 MET A 1 -3.253 -28.180 -3.155 1.00 1.00 H new ATOM 0 HG3 MET A 1 -3.412 -28.607 -4.848 1.00 1.00 H new ATOM 0 HE1 MET A 1 0.176 -29.690 -3.309 1.00 1.00 H new ATOM 0 HE2 MET A 1 -1.263 -29.310 -2.333 1.00 1.00 H new ATOM 0 HE3 MET A 1 -1.423 -30.290 -3.810 1.00 1.00 H new ATOM 20 N ARG A 2 -4.086 -26.045 -1.030 1.00 1.00 N ATOM 21 CA ARG A 2 -5.139 -26.187 -0.028 1.00 1.00 C ATOM 22 C ARG A 2 -5.842 -24.848 0.151 1.00 1.00 C ATOM 23 O ARG A 2 -7.068 -24.781 0.232 1.00 1.00 O ATOM 24 CB ARG A 2 -4.553 -26.644 1.314 1.00 1.00 C ATOM 25 CG ARG A 2 -5.692 -26.885 2.315 1.00 1.00 C ATOM 26 CD ARG A 2 -5.111 -27.309 3.666 1.00 1.00 C ATOM 27 NE ARG A 2 -4.438 -28.596 3.545 1.00 1.00 N ATOM 28 CZ ARG A 2 -5.129 -29.728 3.427 1.00 1.00 C ATOM 29 NH1 ARG A 2 -6.436 -29.700 3.447 1.00 1.00 N ATOM 30 NH2 ARG A 2 -4.500 -30.864 3.299 1.00 1.00 N ATOM 0 H ARG A 2 -3.141 -26.224 -0.690 1.00 1.00 H new ATOM 0 HA ARG A 2 -5.850 -26.940 -0.368 1.00 1.00 H new ATOM 0 HB2 ARG A 2 -3.975 -27.558 1.178 1.00 1.00 H new ATOM 0 HB3 ARG A 2 -3.869 -25.888 1.700 1.00 1.00 H new ATOM 0 HG2 ARG A 2 -6.284 -25.978 2.432 1.00 1.00 H new ATOM 0 HG3 ARG A 2 -6.363 -27.657 1.938 1.00 1.00 H new ATOM 0 HD2 ARG A 2 -4.408 -26.555 4.020 1.00 1.00 H new ATOM 0 HD3 ARG A 2 -5.907 -27.375 4.407 1.00 1.00 H new ATOM 0 HE ARG A 2 -3.419 -28.630 3.551 1.00 1.00 H new ATOM 0 HH11 ARG A 2 -6.926 -28.811 3.553 1.00 1.00 H new ATOM 0 HH12 ARG A 2 -6.966 -30.567 3.357 1.00 1.00 H new ATOM 0 HH21 ARG A 2 -3.480 -30.884 3.289 1.00 1.00 H new ATOM 0 HH22 ARG A 2 -5.028 -31.732 3.209 1.00 1.00 H new ATOM 44 N ASP A 3 -5.049 -23.785 0.211 1.00 1.00 N ATOM 45 CA ASP A 3 -5.574 -22.437 0.380 1.00 1.00 C ATOM 46 C ASP A 3 -5.946 -21.828 -0.974 1.00 1.00 C ATOM 47 O ASP A 3 -5.748 -22.449 -2.018 1.00 1.00 O ATOM 48 CB ASP A 3 -4.524 -21.575 1.085 1.00 1.00 C ATOM 49 CG ASP A 3 -4.434 -21.966 2.556 1.00 1.00 C ATOM 50 OD1 ASP A 3 -5.263 -22.746 2.995 1.00 1.00 O ATOM 51 OD2 ASP A 3 -3.533 -21.483 3.223 1.00 1.00 O ATOM 0 H ASP A 3 -4.032 -23.832 0.144 1.00 1.00 H new ATOM 0 HA ASP A 3 -6.478 -22.477 0.988 1.00 1.00 H new ATOM 0 HB2 ASP A 3 -3.554 -21.704 0.606 1.00 1.00 H new ATOM 0 HB3 ASP A 3 -4.786 -20.521 0.995 1.00 1.00 H new ATOM 56 N MET A 4 -6.499 -20.615 -0.945 1.00 1.00 N ATOM 57 CA MET A 4 -6.912 -19.922 -2.169 1.00 1.00 C ATOM 58 C MET A 4 -8.011 -20.696 -2.898 1.00 1.00 C ATOM 59 O MET A 4 -8.440 -20.298 -3.981 1.00 1.00 O ATOM 60 CB MET A 4 -5.718 -19.713 -3.110 1.00 1.00 C ATOM 61 CG MET A 4 -4.571 -19.006 -2.369 1.00 1.00 C ATOM 62 SD MET A 4 -3.508 -20.247 -1.595 1.00 1.00 S ATOM 63 CE MET A 4 -2.275 -19.105 -0.925 1.00 1.00 C ATOM 0 H MET A 4 -6.672 -20.091 -0.087 1.00 1.00 H new ATOM 0 HA MET A 4 -7.306 -18.949 -1.875 1.00 1.00 H new ATOM 0 HB2 MET A 4 -5.375 -20.674 -3.492 1.00 1.00 H new ATOM 0 HB3 MET A 4 -6.025 -19.119 -3.971 1.00 1.00 H new ATOM 0 HG2 MET A 4 -3.993 -18.398 -3.065 1.00 1.00 H new ATOM 0 HG3 MET A 4 -4.972 -18.331 -1.613 1.00 1.00 H new ATOM 0 HE1 MET A 4 -1.507 -19.669 -0.395 1.00 1.00 H new ATOM 0 HE2 MET A 4 -1.817 -18.545 -1.740 1.00 1.00 H new ATOM 0 HE3 MET A 4 -2.757 -18.412 -0.235 1.00 1.00 H new ATOM 73 N THR A 5 -8.467 -21.798 -2.302 1.00 1.00 N ATOM 74 CA THR A 5 -9.526 -22.611 -2.910 1.00 1.00 C ATOM 75 C THR A 5 -10.892 -22.189 -2.372 1.00 1.00 C ATOM 76 O THR A 5 -11.920 -22.754 -2.741 1.00 1.00 O ATOM 77 CB THR A 5 -9.293 -24.097 -2.604 1.00 1.00 C ATOM 78 OG1 THR A 5 -10.203 -24.881 -3.365 1.00 1.00 O ATOM 79 CG2 THR A 5 -9.515 -24.364 -1.114 1.00 1.00 C ATOM 0 H THR A 5 -8.125 -22.148 -1.407 1.00 1.00 H new ATOM 0 HA THR A 5 -9.503 -22.457 -3.989 1.00 1.00 H new ATOM 0 HB THR A 5 -8.269 -24.362 -2.866 1.00 1.00 H new ATOM 0 HG1 THR A 5 -11.088 -24.461 -3.350 1.00 1.00 H new ATOM 0 HG21 THR A 5 -9.348 -25.421 -0.905 1.00 1.00 H new ATOM 0 HG22 THR A 5 -8.818 -23.764 -0.529 1.00 1.00 H new ATOM 0 HG23 THR A 5 -10.537 -24.098 -0.845 1.00 1.00 H new ATOM 87 N GLU A 6 -10.882 -21.194 -1.494 1.00 1.00 N ATOM 88 CA GLU A 6 -12.116 -20.697 -0.896 1.00 1.00 C ATOM 89 C GLU A 6 -12.970 -19.965 -1.932 1.00 1.00 C ATOM 90 O GLU A 6 -12.467 -19.144 -2.700 1.00 1.00 O ATOM 91 CB GLU A 6 -11.771 -19.755 0.264 1.00 1.00 C ATOM 92 CG GLU A 6 -11.047 -20.541 1.364 1.00 1.00 C ATOM 93 CD GLU A 6 -11.998 -21.536 2.025 1.00 1.00 C ATOM 94 OE1 GLU A 6 -13.188 -21.458 1.761 1.00 1.00 O ATOM 95 OE2 GLU A 6 -11.525 -22.352 2.799 1.00 1.00 O ATOM 0 H GLU A 6 -10.037 -20.716 -1.181 1.00 1.00 H new ATOM 0 HA GLU A 6 -12.693 -21.543 -0.523 1.00 1.00 H new ATOM 0 HB2 GLU A 6 -11.140 -18.940 -0.091 1.00 1.00 H new ATOM 0 HB3 GLU A 6 -12.680 -19.304 0.663 1.00 1.00 H new ATOM 0 HG2 GLU A 6 -10.194 -21.071 0.939 1.00 1.00 H new ATOM 0 HG3 GLU A 6 -10.654 -19.853 2.112 1.00 1.00 H new ATOM 102 N GLU A 7 -14.268 -20.272 -1.949 1.00 1.00 N ATOM 103 CA GLU A 7 -15.195 -19.645 -2.892 1.00 1.00 C ATOM 104 C GLU A 7 -15.593 -18.250 -2.412 1.00 1.00 C ATOM 105 O GLU A 7 -15.856 -18.046 -1.226 1.00 1.00 O ATOM 106 CB GLU A 7 -16.457 -20.502 -3.041 1.00 1.00 C ATOM 107 CG GLU A 7 -16.110 -21.820 -3.735 1.00 1.00 C ATOM 108 CD GLU A 7 -17.345 -22.716 -3.806 1.00 1.00 C ATOM 109 OE1 GLU A 7 -18.390 -22.288 -3.345 1.00 1.00 O ATOM 110 OE2 GLU A 7 -17.225 -23.816 -4.319 1.00 1.00 O ATOM 0 H GLU A 7 -14.701 -20.950 -1.322 1.00 1.00 H new ATOM 0 HA GLU A 7 -14.691 -19.562 -3.855 1.00 1.00 H new ATOM 0 HB2 GLU A 7 -16.891 -20.700 -2.061 1.00 1.00 H new ATOM 0 HB3 GLU A 7 -17.208 -19.963 -3.619 1.00 1.00 H new ATOM 0 HG2 GLU A 7 -15.735 -21.624 -4.740 1.00 1.00 H new ATOM 0 HG3 GLU A 7 -15.313 -22.328 -3.191 1.00 1.00 H new ATOM 117 N THR A 8 -15.642 -17.292 -3.339 1.00 1.00 N ATOM 118 CA THR A 8 -16.019 -15.913 -3.003 1.00 1.00 C ATOM 119 C THR A 8 -17.098 -15.407 -3.955 1.00 1.00 C ATOM 120 O THR A 8 -16.962 -15.510 -5.174 1.00 1.00 O ATOM 121 CB THR A 8 -14.790 -15.001 -3.079 1.00 1.00 C ATOM 122 OG1 THR A 8 -13.814 -15.456 -2.154 1.00 1.00 O ATOM 123 CG2 THR A 8 -15.185 -13.562 -2.734 1.00 1.00 C ATOM 0 H THR A 8 -15.427 -17.442 -4.325 1.00 1.00 H new ATOM 0 HA THR A 8 -16.414 -15.899 -1.987 1.00 1.00 H new ATOM 0 HB THR A 8 -14.384 -15.027 -4.090 1.00 1.00 H new ATOM 0 HG1 THR A 8 -13.025 -14.877 -2.200 1.00 1.00 H new ATOM 0 HG21 THR A 8 -14.306 -12.920 -2.790 1.00 1.00 H new ATOM 0 HG22 THR A 8 -15.936 -13.211 -3.442 1.00 1.00 H new ATOM 0 HG23 THR A 8 -15.594 -13.529 -1.724 1.00 1.00 H new ATOM 131 N ARG A 9 -18.169 -14.857 -3.392 1.00 1.00 N ATOM 132 CA ARG A 9 -19.264 -14.335 -4.204 1.00 1.00 C ATOM 133 C ARG A 9 -18.871 -12.991 -4.814 1.00 1.00 C ATOM 134 O ARG A 9 -18.001 -12.296 -4.293 1.00 1.00 O ATOM 135 CB ARG A 9 -20.531 -14.172 -3.355 1.00 1.00 C ATOM 136 CG ARG A 9 -20.992 -15.545 -2.849 1.00 1.00 C ATOM 137 CD ARG A 9 -22.258 -15.379 -2.003 1.00 1.00 C ATOM 138 NE ARG A 9 -21.959 -14.629 -0.788 1.00 1.00 N ATOM 139 CZ ARG A 9 -21.416 -15.222 0.273 1.00 1.00 C ATOM 140 NH1 ARG A 9 -21.140 -16.500 0.239 1.00 1.00 N ATOM 141 NH2 ARG A 9 -21.157 -14.526 1.348 1.00 1.00 N ATOM 0 H ARG A 9 -18.302 -14.761 -2.385 1.00 1.00 H new ATOM 0 HA ARG A 9 -19.469 -15.044 -5.006 1.00 1.00 H new ATOM 0 HB2 ARG A 9 -20.333 -13.510 -2.512 1.00 1.00 H new ATOM 0 HB3 ARG A 9 -21.320 -13.708 -3.947 1.00 1.00 H new ATOM 0 HG2 ARG A 9 -21.189 -16.208 -3.692 1.00 1.00 H new ATOM 0 HG3 ARG A 9 -20.204 -16.009 -2.256 1.00 1.00 H new ATOM 0 HD2 ARG A 9 -23.024 -14.860 -2.580 1.00 1.00 H new ATOM 0 HD3 ARG A 9 -22.662 -16.358 -1.744 1.00 1.00 H new ATOM 0 HE ARG A 9 -22.170 -13.632 -0.751 1.00 1.00 H new ATOM 0 HH11 ARG A 9 -21.341 -17.043 -0.601 1.00 1.00 H new ATOM 0 HH12 ARG A 9 -20.724 -16.954 1.052 1.00 1.00 H new ATOM 0 HH21 ARG A 9 -21.371 -13.529 1.374 1.00 1.00 H new ATOM 0 HH22 ARG A 9 -20.741 -14.980 2.161 1.00 1.00 H new ATOM 155 N LYS A 10 -19.514 -12.628 -5.925 1.00 1.00 N ATOM 156 CA LYS A 10 -19.204 -11.364 -6.590 1.00 1.00 C ATOM 157 C LYS A 10 -19.276 -10.215 -5.592 1.00 1.00 C ATOM 158 O LYS A 10 -20.207 -10.125 -4.793 1.00 1.00 O ATOM 159 CB LYS A 10 -20.177 -11.130 -7.751 1.00 1.00 C ATOM 160 CG LYS A 10 -19.772 -9.870 -8.525 1.00 1.00 C ATOM 161 CD LYS A 10 -20.700 -9.686 -9.732 1.00 1.00 C ATOM 162 CE LYS A 10 -20.287 -8.436 -10.517 1.00 1.00 C ATOM 163 NZ LYS A 10 -21.177 -8.269 -11.704 1.00 1.00 N ATOM 0 H LYS A 10 -20.241 -13.182 -6.377 1.00 1.00 H new ATOM 0 HA LYS A 10 -18.191 -11.412 -6.989 1.00 1.00 H new ATOM 0 HB2 LYS A 10 -20.176 -11.993 -8.417 1.00 1.00 H new ATOM 0 HB3 LYS A 10 -21.193 -11.023 -7.370 1.00 1.00 H new ATOM 0 HG2 LYS A 10 -19.828 -8.998 -7.874 1.00 1.00 H new ATOM 0 HG3 LYS A 10 -18.738 -9.953 -8.858 1.00 1.00 H new ATOM 0 HD2 LYS A 10 -20.652 -10.564 -10.376 1.00 1.00 H new ATOM 0 HD3 LYS A 10 -21.733 -9.592 -9.397 1.00 1.00 H new ATOM 0 HE2 LYS A 10 -20.350 -7.556 -9.877 1.00 1.00 H new ATOM 0 HE3 LYS A 10 -19.249 -8.523 -10.838 1.00 1.00 H new ATOM 0 HZ1 LYS A 10 -20.894 -7.420 -12.234 1.00 1.00 H new ATOM 0 HZ2 LYS A 10 -21.096 -9.104 -12.319 1.00 1.00 H new ATOM 0 HZ3 LYS A 10 -22.162 -8.167 -11.387 1.00 1.00 H new ATOM 177 N ASP A 11 -18.253 -9.360 -5.623 1.00 1.00 N ATOM 178 CA ASP A 11 -18.156 -8.228 -4.699 1.00 1.00 C ATOM 179 C ASP A 11 -18.478 -6.907 -5.393 1.00 1.00 C ATOM 180 O ASP A 11 -19.400 -6.831 -6.204 1.00 1.00 O ATOM 181 CB ASP A 11 -16.740 -8.190 -4.128 1.00 1.00 C ATOM 182 CG ASP A 11 -16.477 -9.472 -3.347 1.00 1.00 C ATOM 183 OD1 ASP A 11 -17.439 -10.093 -2.928 1.00 1.00 O ATOM 184 OD2 ASP A 11 -15.317 -9.816 -3.185 1.00 1.00 O ATOM 0 H ASP A 11 -17.477 -9.430 -6.281 1.00 1.00 H new ATOM 0 HA ASP A 11 -18.886 -8.360 -3.900 1.00 1.00 H new ATOM 0 HB2 ASP A 11 -16.013 -8.086 -4.934 1.00 1.00 H new ATOM 0 HB3 ASP A 11 -16.621 -7.323 -3.478 1.00 1.00 H new ATOM 189 N LEU A 12 -17.729 -5.862 -5.044 1.00 1.00 N ATOM 190 CA LEU A 12 -17.960 -4.540 -5.609 1.00 1.00 C ATOM 191 C LEU A 12 -18.149 -4.630 -7.125 1.00 1.00 C ATOM 192 O LEU A 12 -17.681 -5.585 -7.749 1.00 1.00 O ATOM 193 CB LEU A 12 -16.749 -3.641 -5.289 1.00 1.00 C ATOM 194 CG LEU A 12 -16.896 -3.033 -3.891 1.00 1.00 C ATOM 195 CD1 LEU A 12 -17.108 -4.149 -2.868 1.00 1.00 C ATOM 196 CD2 LEU A 12 -15.624 -2.257 -3.543 1.00 1.00 C ATOM 0 H LEU A 12 -16.961 -5.908 -4.375 1.00 1.00 H new ATOM 0 HA LEU A 12 -18.865 -4.117 -5.173 1.00 1.00 H new ATOM 0 HB2 LEU A 12 -15.829 -4.224 -5.345 1.00 1.00 H new ATOM 0 HB3 LEU A 12 -16.670 -2.847 -6.032 1.00 1.00 H new ATOM 0 HG LEU A 12 -17.753 -2.360 -3.873 1.00 1.00 H new ATOM 0 HD11 LEU A 12 -17.213 -3.716 -1.873 1.00 1.00 H new ATOM 0 HD12 LEU A 12 -18.011 -4.705 -3.118 1.00 1.00 H new ATOM 0 HD13 LEU A 12 -16.251 -4.823 -2.882 1.00 1.00 H new ATOM 0 HD21 LEU A 12 -15.724 -1.822 -2.548 1.00 1.00 H new ATOM 0 HD22 LEU A 12 -14.769 -2.933 -3.559 1.00 1.00 H new ATOM 0 HD23 LEU A 12 -15.472 -1.462 -4.273 1.00 1.00 H new ATOM 208 N PRO A 13 -18.825 -3.665 -7.725 1.00 1.00 N ATOM 209 CA PRO A 13 -19.055 -3.654 -9.199 1.00 1.00 C ATOM 210 C PRO A 13 -17.773 -3.983 -9.983 1.00 1.00 C ATOM 211 O PRO A 13 -16.738 -4.306 -9.400 1.00 1.00 O ATOM 212 CB PRO A 13 -19.542 -2.224 -9.488 1.00 1.00 C ATOM 213 CG PRO A 13 -20.094 -1.696 -8.195 1.00 1.00 C ATOM 214 CD PRO A 13 -19.448 -2.500 -7.058 1.00 1.00 C ATOM 0 HA PRO A 13 -19.773 -4.413 -9.510 1.00 1.00 H new ATOM 0 HB2 PRO A 13 -18.723 -1.599 -9.845 1.00 1.00 H new ATOM 0 HB3 PRO A 13 -20.306 -2.223 -10.266 1.00 1.00 H new ATOM 0 HG2 PRO A 13 -19.872 -0.634 -8.088 1.00 1.00 H new ATOM 0 HG3 PRO A 13 -21.179 -1.799 -8.170 1.00 1.00 H new ATOM 0 HD2 PRO A 13 -18.706 -1.906 -6.525 1.00 1.00 H new ATOM 0 HD3 PRO A 13 -20.190 -2.814 -6.325 1.00 1.00 H new ATOM 222 N PRO A 14 -17.820 -3.904 -11.291 1.00 1.00 N ATOM 223 CA PRO A 14 -16.645 -4.204 -12.159 1.00 1.00 C ATOM 224 C PRO A 14 -15.435 -3.345 -11.797 1.00 1.00 C ATOM 225 O PRO A 14 -14.319 -3.600 -12.254 1.00 1.00 O ATOM 226 CB PRO A 14 -17.154 -3.902 -13.579 1.00 1.00 C ATOM 227 CG PRO A 14 -18.639 -4.034 -13.480 1.00 1.00 C ATOM 228 CD PRO A 14 -18.993 -3.517 -12.094 1.00 1.00 C ATOM 0 HA PRO A 14 -16.296 -5.231 -12.048 1.00 1.00 H new ATOM 0 HB2 PRO A 14 -16.865 -2.901 -13.900 1.00 1.00 H new ATOM 0 HB3 PRO A 14 -16.741 -4.601 -14.306 1.00 1.00 H new ATOM 0 HG2 PRO A 14 -19.139 -3.454 -14.256 1.00 1.00 H new ATOM 0 HG3 PRO A 14 -18.952 -5.071 -13.605 1.00 1.00 H new ATOM 0 HD2 PRO A 14 -19.146 -2.438 -12.092 1.00 1.00 H new ATOM 0 HD3 PRO A 14 -19.909 -3.970 -11.715 1.00 1.00 H new ATOM 236 N GLU A 15 -15.661 -2.330 -10.969 1.00 1.00 N ATOM 237 CA GLU A 15 -14.582 -1.447 -10.550 1.00 1.00 C ATOM 238 C GLU A 15 -13.425 -2.261 -9.977 1.00 1.00 C ATOM 239 O GLU A 15 -12.286 -1.798 -9.932 1.00 1.00 O ATOM 240 CB GLU A 15 -15.098 -0.457 -9.501 1.00 1.00 C ATOM 241 CG GLU A 15 -15.662 -1.219 -8.299 1.00 1.00 C ATOM 242 CD GLU A 15 -16.234 -0.236 -7.281 1.00 1.00 C ATOM 243 OE1 GLU A 15 -15.456 0.324 -6.525 1.00 1.00 O ATOM 244 OE2 GLU A 15 -17.439 -0.054 -7.274 1.00 1.00 O ATOM 0 H GLU A 15 -16.575 -2.101 -10.578 1.00 1.00 H new ATOM 0 HA GLU A 15 -14.223 -0.893 -11.417 1.00 1.00 H new ATOM 0 HB2 GLU A 15 -14.290 0.200 -9.180 1.00 1.00 H new ATOM 0 HB3 GLU A 15 -15.871 0.177 -9.936 1.00 1.00 H new ATOM 0 HG2 GLU A 15 -16.439 -1.909 -8.627 1.00 1.00 H new ATOM 0 HG3 GLU A 15 -14.878 -1.819 -7.837 1.00 1.00 H new ATOM 251 N ALA A 16 -13.732 -3.481 -9.554 1.00 1.00 N ATOM 252 CA ALA A 16 -12.725 -4.372 -9.001 1.00 1.00 C ATOM 253 C ALA A 16 -11.706 -4.751 -10.070 1.00 1.00 C ATOM 254 O ALA A 16 -10.514 -4.869 -9.792 1.00 1.00 O ATOM 255 CB ALA A 16 -13.397 -5.633 -8.459 1.00 1.00 C ATOM 0 H ALA A 16 -14.672 -3.875 -9.584 1.00 1.00 H new ATOM 0 HA ALA A 16 -12.208 -3.858 -8.191 1.00 1.00 H new ATOM 0 HB1 ALA A 16 -12.640 -6.299 -8.045 1.00 1.00 H new ATOM 0 HB2 ALA A 16 -14.107 -5.360 -7.678 1.00 1.00 H new ATOM 0 HB3 ALA A 16 -13.924 -6.140 -9.267 1.00 1.00 H new ATOM 261 N LEU A 17 -12.182 -4.936 -11.298 1.00 1.00 N ATOM 262 CA LEU A 17 -11.302 -5.296 -12.401 1.00 1.00 C ATOM 263 C LEU A 17 -10.292 -4.186 -12.647 1.00 1.00 C ATOM 264 O LEU A 17 -9.105 -4.444 -12.848 1.00 1.00 O ATOM 265 CB LEU A 17 -12.140 -5.528 -13.662 1.00 1.00 C ATOM 266 CG LEU A 17 -12.948 -6.835 -13.521 1.00 1.00 C ATOM 267 CD1 LEU A 17 -14.206 -6.762 -14.391 1.00 1.00 C ATOM 268 CD2 LEU A 17 -12.102 -8.034 -13.977 1.00 1.00 C ATOM 0 H LEU A 17 -13.166 -4.843 -11.552 1.00 1.00 H new ATOM 0 HA LEU A 17 -10.763 -6.209 -12.149 1.00 1.00 H new ATOM 0 HB2 LEU A 17 -12.816 -4.687 -13.820 1.00 1.00 H new ATOM 0 HB3 LEU A 17 -11.491 -5.584 -14.536 1.00 1.00 H new ATOM 0 HG LEU A 17 -13.225 -6.960 -12.474 1.00 1.00 H new ATOM 0 HD11 LEU A 17 -14.774 -7.687 -14.288 1.00 1.00 H new ATOM 0 HD12 LEU A 17 -14.821 -5.921 -14.071 1.00 1.00 H new ATOM 0 HD13 LEU A 17 -13.920 -6.626 -15.434 1.00 1.00 H new ATOM 0 HD21 LEU A 17 -12.683 -8.950 -13.873 1.00 1.00 H new ATOM 0 HD22 LEU A 17 -11.817 -7.902 -15.021 1.00 1.00 H new ATOM 0 HD23 LEU A 17 -11.205 -8.101 -13.362 1.00 1.00 H new ATOM 280 N ARG A 18 -10.767 -2.950 -12.607 1.00 1.00 N ATOM 281 CA ARG A 18 -9.892 -1.808 -12.805 1.00 1.00 C ATOM 282 C ARG A 18 -8.888 -1.743 -11.663 1.00 1.00 C ATOM 283 O ARG A 18 -7.716 -1.436 -11.870 1.00 1.00 O ATOM 284 CB ARG A 18 -10.713 -0.510 -12.872 1.00 1.00 C ATOM 285 CG ARG A 18 -11.380 -0.362 -14.250 1.00 1.00 C ATOM 286 CD ARG A 18 -12.588 -1.296 -14.360 1.00 1.00 C ATOM 287 NE ARG A 18 -13.287 -1.064 -15.619 1.00 1.00 N ATOM 288 CZ ARG A 18 -14.049 -2.004 -16.173 1.00 1.00 C ATOM 289 NH1 ARG A 18 -14.183 -3.166 -15.587 1.00 1.00 N ATOM 290 NH2 ARG A 18 -14.658 -1.764 -17.304 1.00 1.00 N ATOM 0 H ARG A 18 -11.745 -2.715 -12.441 1.00 1.00 H new ATOM 0 HA ARG A 18 -9.358 -1.921 -13.749 1.00 1.00 H new ATOM 0 HB2 ARG A 18 -11.474 -0.514 -12.092 1.00 1.00 H new ATOM 0 HB3 ARG A 18 -10.066 0.346 -12.681 1.00 1.00 H new ATOM 0 HG2 ARG A 18 -11.696 0.671 -14.400 1.00 1.00 H new ATOM 0 HG3 ARG A 18 -10.661 -0.593 -15.036 1.00 1.00 H new ATOM 0 HD2 ARG A 18 -12.261 -2.334 -14.302 1.00 1.00 H new ATOM 0 HD3 ARG A 18 -13.265 -1.128 -13.523 1.00 1.00 H new ATOM 0 HE ARG A 18 -13.190 -0.162 -16.085 1.00 1.00 H new ATOM 0 HH11 ARG A 18 -13.704 -3.351 -14.706 1.00 1.00 H new ATOM 0 HH12 ARG A 18 -14.767 -3.887 -16.011 1.00 1.00 H new ATOM 0 HH21 ARG A 18 -14.549 -0.858 -17.760 1.00 1.00 H new ATOM 0 HH22 ARG A 18 -15.243 -2.483 -17.731 1.00 1.00 H new ATOM 304 N ALA A 19 -9.350 -2.059 -10.457 1.00 1.00 N ATOM 305 CA ALA A 19 -8.468 -2.055 -9.300 1.00 1.00 C ATOM 306 C ALA A 19 -7.396 -3.124 -9.478 1.00 1.00 C ATOM 307 O ALA A 19 -6.210 -2.883 -9.250 1.00 1.00 O ATOM 308 CB ALA A 19 -9.277 -2.320 -8.026 1.00 1.00 C ATOM 0 H ALA A 19 -10.317 -2.317 -10.259 1.00 1.00 H new ATOM 0 HA ALA A 19 -7.989 -1.080 -9.210 1.00 1.00 H new ATOM 0 HB1 ALA A 19 -8.610 -2.316 -7.164 1.00 1.00 H new ATOM 0 HB2 ALA A 19 -10.031 -1.542 -7.905 1.00 1.00 H new ATOM 0 HB3 ALA A 19 -9.766 -3.291 -8.101 1.00 1.00 H new ATOM 314 N LEU A 20 -7.830 -4.303 -9.905 1.00 1.00 N ATOM 315 CA LEU A 20 -6.913 -5.411 -10.133 1.00 1.00 C ATOM 316 C LEU A 20 -5.919 -5.032 -11.225 1.00 1.00 C ATOM 317 O LEU A 20 -4.733 -5.349 -11.139 1.00 1.00 O ATOM 318 CB LEU A 20 -7.696 -6.669 -10.546 1.00 1.00 C ATOM 319 CG LEU A 20 -6.733 -7.819 -10.884 1.00 1.00 C ATOM 320 CD1 LEU A 20 -5.804 -8.104 -9.693 1.00 1.00 C ATOM 321 CD2 LEU A 20 -7.550 -9.077 -11.211 1.00 1.00 C ATOM 0 H LEU A 20 -8.808 -4.516 -10.100 1.00 1.00 H new ATOM 0 HA LEU A 20 -6.371 -5.624 -9.211 1.00 1.00 H new ATOM 0 HB2 LEU A 20 -8.362 -6.971 -9.738 1.00 1.00 H new ATOM 0 HB3 LEU A 20 -8.323 -6.447 -11.410 1.00 1.00 H new ATOM 0 HG LEU A 20 -6.124 -7.537 -11.743 1.00 1.00 H new ATOM 0 HD11 LEU A 20 -5.128 -8.920 -9.946 1.00 1.00 H new ATOM 0 HD12 LEU A 20 -5.224 -7.211 -9.462 1.00 1.00 H new ATOM 0 HD13 LEU A 20 -6.401 -8.383 -8.825 1.00 1.00 H new ATOM 0 HD21 LEU A 20 -6.874 -9.897 -11.452 1.00 1.00 H new ATOM 0 HD22 LEU A 20 -8.159 -9.350 -10.349 1.00 1.00 H new ATOM 0 HD23 LEU A 20 -8.198 -8.878 -12.065 1.00 1.00 H new ATOM 333 N ALA A 21 -6.417 -4.350 -12.252 1.00 1.00 N ATOM 334 CA ALA A 21 -5.575 -3.926 -13.363 1.00 1.00 C ATOM 335 C ALA A 21 -4.503 -2.956 -12.880 1.00 1.00 C ATOM 336 O ALA A 21 -3.363 -3.007 -13.336 1.00 1.00 O ATOM 337 CB ALA A 21 -6.436 -3.260 -14.439 1.00 1.00 C ATOM 0 H ALA A 21 -7.397 -4.080 -12.337 1.00 1.00 H new ATOM 0 HA ALA A 21 -5.084 -4.803 -13.786 1.00 1.00 H new ATOM 0 HB1 ALA A 21 -5.803 -2.944 -15.268 1.00 1.00 H new ATOM 0 HB2 ALA A 21 -7.180 -3.970 -14.801 1.00 1.00 H new ATOM 0 HB3 ALA A 21 -6.939 -2.391 -14.016 1.00 1.00 H new ATOM 343 N GLU A 22 -4.866 -2.085 -11.946 1.00 1.00 N ATOM 344 CA GLU A 22 -3.908 -1.129 -11.398 1.00 1.00 C ATOM 345 C GLU A 22 -2.876 -1.865 -10.548 1.00 1.00 C ATOM 346 O GLU A 22 -1.702 -1.503 -10.525 1.00 1.00 O ATOM 347 CB GLU A 22 -4.629 -0.073 -10.555 1.00 1.00 C ATOM 348 CG GLU A 22 -5.460 0.844 -11.460 1.00 1.00 C ATOM 349 CD GLU A 22 -4.551 1.672 -12.364 1.00 1.00 C ATOM 350 OE1 GLU A 22 -3.632 2.286 -11.847 1.00 1.00 O ATOM 351 OE2 GLU A 22 -4.794 1.688 -13.560 1.00 1.00 O ATOM 0 H GLU A 22 -5.806 -2.020 -11.555 1.00 1.00 H new ATOM 0 HA GLU A 22 -3.401 -0.626 -12.221 1.00 1.00 H new ATOM 0 HB2 GLU A 22 -5.275 -0.559 -9.824 1.00 1.00 H new ATOM 0 HB3 GLU A 22 -3.902 0.516 -9.996 1.00 1.00 H new ATOM 0 HG2 GLU A 22 -6.139 0.246 -12.067 1.00 1.00 H new ATOM 0 HG3 GLU A 22 -6.076 1.505 -10.850 1.00 1.00 H new ATOM 358 N ALA A 23 -3.327 -2.913 -9.858 1.00 1.00 N ATOM 359 CA ALA A 23 -2.437 -3.705 -9.014 1.00 1.00 C ATOM 360 C ALA A 23 -1.202 -4.114 -9.809 1.00 1.00 C ATOM 361 O ALA A 23 -0.166 -4.461 -9.241 1.00 1.00 O ATOM 362 CB ALA A 23 -3.168 -4.956 -8.516 1.00 1.00 C ATOM 0 H ALA A 23 -4.296 -3.230 -9.867 1.00 1.00 H new ATOM 0 HA ALA A 23 -2.131 -3.105 -8.157 1.00 1.00 H new ATOM 0 HB1 ALA A 23 -2.498 -5.542 -7.887 1.00 1.00 H new ATOM 0 HB2 ALA A 23 -4.043 -4.660 -7.937 1.00 1.00 H new ATOM 0 HB3 ALA A 23 -3.483 -5.557 -9.369 1.00 1.00 H new ATOM 368 N GLU A 24 -1.322 -4.059 -11.131 1.00 1.00 N ATOM 369 CA GLU A 24 -0.217 -4.413 -12.015 1.00 1.00 C ATOM 370 C GLU A 24 1.004 -3.551 -11.703 1.00 1.00 C ATOM 371 O GLU A 24 2.143 -3.998 -11.844 1.00 1.00 O ATOM 372 CB GLU A 24 -0.640 -4.218 -13.476 1.00 1.00 C ATOM 373 CG GLU A 24 -1.708 -5.256 -13.839 1.00 1.00 C ATOM 374 CD GLU A 24 -2.230 -5.006 -15.250 1.00 1.00 C ATOM 375 OE1 GLU A 24 -1.779 -4.056 -15.870 1.00 1.00 O ATOM 376 OE2 GLU A 24 -3.075 -5.767 -15.694 1.00 1.00 O ATOM 0 H GLU A 24 -2.173 -3.773 -11.614 1.00 1.00 H new ATOM 0 HA GLU A 24 0.045 -5.459 -11.856 1.00 1.00 H new ATOM 0 HB2 GLU A 24 -1.031 -3.211 -13.622 1.00 1.00 H new ATOM 0 HB3 GLU A 24 0.223 -4.323 -14.133 1.00 1.00 H new ATOM 0 HG2 GLU A 24 -1.288 -6.259 -13.772 1.00 1.00 H new ATOM 0 HG3 GLU A 24 -2.530 -5.207 -13.125 1.00 1.00 H new ATOM 383 N GLU A 25 0.758 -2.317 -11.272 1.00 1.00 N ATOM 384 CA GLU A 25 1.845 -1.402 -10.931 1.00 1.00 C ATOM 385 C GLU A 25 2.666 -1.973 -9.777 1.00 1.00 C ATOM 386 O GLU A 25 3.879 -1.794 -9.713 1.00 1.00 O ATOM 387 CB GLU A 25 1.265 -0.043 -10.513 1.00 1.00 C ATOM 388 CG GLU A 25 2.392 0.981 -10.332 1.00 1.00 C ATOM 389 CD GLU A 25 2.978 1.355 -11.689 1.00 1.00 C ATOM 390 OE1 GLU A 25 2.420 0.931 -12.688 1.00 1.00 O ATOM 391 OE2 GLU A 25 3.972 2.060 -11.709 1.00 1.00 O ATOM 0 H GLU A 25 -0.177 -1.929 -11.151 1.00 1.00 H new ATOM 0 HA GLU A 25 2.486 -1.276 -11.803 1.00 1.00 H new ATOM 0 HB2 GLU A 25 0.562 0.309 -11.268 1.00 1.00 H new ATOM 0 HB3 GLU A 25 0.707 -0.148 -9.583 1.00 1.00 H new ATOM 0 HG2 GLU A 25 2.009 1.872 -9.834 1.00 1.00 H new ATOM 0 HG3 GLU A 25 3.171 0.568 -9.691 1.00 1.00 H new ATOM 398 N ARG A 26 1.980 -2.644 -8.862 1.00 1.00 N ATOM 399 CA ARG A 26 2.635 -3.225 -7.693 1.00 1.00 C ATOM 400 C ARG A 26 3.493 -4.433 -8.074 1.00 1.00 C ATOM 401 O ARG A 26 3.113 -5.232 -8.929 1.00 1.00 O ATOM 402 CB ARG A 26 1.565 -3.650 -6.680 1.00 1.00 C ATOM 403 CG ARG A 26 2.213 -3.995 -5.328 1.00 1.00 C ATOM 404 CD ARG A 26 2.368 -2.728 -4.480 1.00 1.00 C ATOM 405 NE ARG A 26 3.022 -3.057 -3.218 1.00 1.00 N ATOM 406 CZ ARG A 26 2.322 -3.471 -2.168 1.00 1.00 C ATOM 407 NH1 ARG A 26 1.022 -3.579 -2.249 1.00 1.00 N ATOM 408 NH2 ARG A 26 2.936 -3.772 -1.057 1.00 1.00 N ATOM 0 H ARG A 26 0.973 -2.800 -8.904 1.00 1.00 H new ATOM 0 HA ARG A 26 3.293 -2.473 -7.256 1.00 1.00 H new ATOM 0 HB2 ARG A 26 0.840 -2.847 -6.549 1.00 1.00 H new ATOM 0 HB3 ARG A 26 1.019 -4.513 -7.059 1.00 1.00 H new ATOM 0 HG2 ARG A 26 1.600 -4.724 -4.798 1.00 1.00 H new ATOM 0 HG3 ARG A 26 3.188 -4.455 -5.490 1.00 1.00 H new ATOM 0 HD2 ARG A 26 2.954 -1.986 -5.022 1.00 1.00 H new ATOM 0 HD3 ARG A 26 1.391 -2.285 -4.289 1.00 1.00 H new ATOM 0 HE ARG A 26 4.035 -2.967 -3.141 1.00 1.00 H new ATOM 0 HH11 ARG A 26 0.544 -3.345 -3.119 1.00 1.00 H new ATOM 0 HH12 ARG A 26 0.485 -3.897 -1.442 1.00 1.00 H new ATOM 0 HH21 ARG A 26 3.951 -3.689 -0.997 1.00 1.00 H new ATOM 0 HH22 ARG A 26 2.401 -4.090 -0.249 1.00 1.00 H new ATOM 422 N ARG A 27 4.660 -4.555 -7.431 1.00 1.00 N ATOM 423 CA ARG A 27 5.570 -5.667 -7.709 1.00 1.00 C ATOM 424 C ARG A 27 4.804 -6.985 -7.784 1.00 1.00 C ATOM 425 O ARG A 27 4.301 -7.484 -6.779 1.00 1.00 O ATOM 426 CB ARG A 27 6.647 -5.773 -6.619 1.00 1.00 C ATOM 427 CG ARG A 27 7.576 -4.557 -6.667 1.00 1.00 C ATOM 428 CD ARG A 27 8.677 -4.722 -5.615 1.00 1.00 C ATOM 429 NE ARG A 27 8.098 -4.699 -4.276 1.00 1.00 N ATOM 430 CZ ARG A 27 7.818 -3.550 -3.666 1.00 1.00 C ATOM 431 NH1 ARG A 27 8.081 -2.416 -4.260 1.00 1.00 N ATOM 432 NH2 ARG A 27 7.282 -3.560 -2.475 1.00 1.00 N ATOM 0 H ARG A 27 4.993 -3.903 -6.721 1.00 1.00 H new ATOM 0 HA ARG A 27 6.047 -5.472 -8.669 1.00 1.00 H new ATOM 0 HB2 ARG A 27 6.176 -5.840 -5.638 1.00 1.00 H new ATOM 0 HB3 ARG A 27 7.225 -6.686 -6.758 1.00 1.00 H new ATOM 0 HG2 ARG A 27 8.016 -4.460 -7.659 1.00 1.00 H new ATOM 0 HG3 ARG A 27 7.010 -3.645 -6.479 1.00 1.00 H new ATOM 0 HD2 ARG A 27 9.206 -5.662 -5.775 1.00 1.00 H new ATOM 0 HD3 ARG A 27 9.411 -3.922 -5.716 1.00 1.00 H new ATOM 0 HE ARG A 27 7.904 -5.579 -3.799 1.00 1.00 H new ATOM 0 HH11 ARG A 27 8.500 -2.413 -5.190 1.00 1.00 H new ATOM 0 HH12 ARG A 27 7.867 -1.534 -3.794 1.00 1.00 H new ATOM 0 HH21 ARG A 27 7.079 -4.447 -2.015 1.00 1.00 H new ATOM 0 HH22 ARG A 27 7.066 -2.681 -2.005 1.00 1.00 H new ATOM 446 N ARG A 28 4.725 -7.543 -8.989 1.00 1.00 N ATOM 447 CA ARG A 28 4.023 -8.806 -9.207 1.00 1.00 C ATOM 448 C ARG A 28 4.728 -9.956 -8.486 1.00 1.00 C ATOM 449 O ARG A 28 4.086 -10.903 -8.034 1.00 1.00 O ATOM 450 CB ARG A 28 3.933 -9.098 -10.709 1.00 1.00 C ATOM 451 CG ARG A 28 5.342 -9.265 -11.292 1.00 1.00 C ATOM 452 CD ARG A 28 5.247 -9.523 -12.797 1.00 1.00 C ATOM 453 NE ARG A 28 6.583 -9.702 -13.357 1.00 1.00 N ATOM 454 CZ ARG A 28 6.796 -9.636 -14.669 1.00 1.00 C ATOM 455 NH1 ARG A 28 5.802 -9.412 -15.486 1.00 1.00 N ATOM 456 NH2 ARG A 28 8.006 -9.798 -15.138 1.00 1.00 N ATOM 0 H ARG A 28 5.138 -7.141 -9.830 1.00 1.00 H new ATOM 0 HA ARG A 28 3.017 -8.717 -8.797 1.00 1.00 H new ATOM 0 HB2 ARG A 28 3.350 -10.003 -10.878 1.00 1.00 H new ATOM 0 HB3 ARG A 28 3.414 -8.285 -11.216 1.00 1.00 H new ATOM 0 HG2 ARG A 28 5.933 -8.369 -11.103 1.00 1.00 H new ATOM 0 HG3 ARG A 28 5.853 -10.094 -10.802 1.00 1.00 H new ATOM 0 HD2 ARG A 28 4.643 -10.411 -12.985 1.00 1.00 H new ATOM 0 HD3 ARG A 28 4.747 -8.687 -13.287 1.00 1.00 H new ATOM 0 HE ARG A 28 7.368 -9.881 -12.731 1.00 1.00 H new ATOM 0 HH11 ARG A 28 4.859 -9.287 -15.119 1.00 1.00 H new ATOM 0 HH12 ARG A 28 5.969 -9.362 -16.491 1.00 1.00 H new ATOM 0 HH21 ARG A 28 8.781 -9.974 -14.499 1.00 1.00 H new ATOM 0 HH22 ARG A 28 8.174 -9.748 -16.143 1.00 1.00 H new ATOM 470 N ARG A 29 6.050 -9.865 -8.389 1.00 1.00 N ATOM 471 CA ARG A 29 6.838 -10.902 -7.729 1.00 1.00 C ATOM 472 C ARG A 29 6.416 -11.044 -6.266 1.00 1.00 C ATOM 473 O ARG A 29 6.449 -12.140 -5.703 1.00 1.00 O ATOM 474 CB ARG A 29 8.328 -10.545 -7.805 1.00 1.00 C ATOM 475 CG ARG A 29 8.807 -10.642 -9.258 1.00 1.00 C ATOM 476 CD ARG A 29 10.268 -10.184 -9.354 1.00 1.00 C ATOM 477 NE ARG A 29 11.128 -11.087 -8.597 1.00 1.00 N ATOM 478 CZ ARG A 29 12.425 -10.838 -8.429 1.00 1.00 C ATOM 479 NH1 ARG A 29 12.963 -9.760 -8.935 1.00 1.00 N ATOM 480 NH2 ARG A 29 13.159 -11.677 -7.748 1.00 1.00 N ATOM 0 H ARG A 29 6.598 -9.087 -8.757 1.00 1.00 H new ATOM 0 HA ARG A 29 6.664 -11.851 -8.237 1.00 1.00 H new ATOM 0 HB2 ARG A 29 8.490 -9.537 -7.425 1.00 1.00 H new ATOM 0 HB3 ARG A 29 8.907 -11.220 -7.175 1.00 1.00 H new ATOM 0 HG2 ARG A 29 8.714 -11.668 -9.614 1.00 1.00 H new ATOM 0 HG3 ARG A 29 8.179 -10.024 -9.900 1.00 1.00 H new ATOM 0 HD2 ARG A 29 10.582 -10.160 -10.398 1.00 1.00 H new ATOM 0 HD3 ARG A 29 10.365 -9.169 -8.969 1.00 1.00 H new ATOM 0 HE ARG A 29 10.726 -11.930 -8.186 1.00 1.00 H new ATOM 0 HH11 ARG A 29 12.389 -9.103 -9.463 1.00 1.00 H new ATOM 0 HH12 ARG A 29 13.957 -9.576 -8.802 1.00 1.00 H new ATOM 0 HH21 ARG A 29 12.738 -12.516 -7.349 1.00 1.00 H new ATOM 0 HH22 ARG A 29 14.153 -11.493 -7.615 1.00 1.00 H new ATOM 494 N ALA A 30 6.022 -9.930 -5.661 1.00 1.00 N ATOM 495 CA ALA A 30 5.596 -9.924 -4.263 1.00 1.00 C ATOM 496 C ALA A 30 4.326 -10.749 -4.078 1.00 1.00 C ATOM 497 O ALA A 30 4.175 -11.463 -3.086 1.00 1.00 O ATOM 498 CB ALA A 30 5.352 -8.486 -3.800 1.00 1.00 C ATOM 0 H ALA A 30 5.988 -9.017 -6.115 1.00 1.00 H new ATOM 0 HA ALA A 30 6.388 -10.370 -3.661 1.00 1.00 H new ATOM 0 HB1 ALA A 30 5.035 -8.488 -2.757 1.00 1.00 H new ATOM 0 HB2 ALA A 30 6.273 -7.911 -3.898 1.00 1.00 H new ATOM 0 HB3 ALA A 30 4.574 -8.033 -4.415 1.00 1.00 H new ATOM 504 N LYS A 31 3.416 -10.649 -5.042 1.00 1.00 N ATOM 505 CA LYS A 31 2.162 -11.392 -4.977 1.00 1.00 C ATOM 506 C LYS A 31 2.388 -12.841 -5.401 1.00 1.00 C ATOM 507 O LYS A 31 1.438 -13.579 -5.658 1.00 1.00 O ATOM 508 CB LYS A 31 1.111 -10.743 -5.882 1.00 1.00 C ATOM 509 CG LYS A 31 0.658 -9.413 -5.275 1.00 1.00 C ATOM 510 CD LYS A 31 -0.391 -8.761 -6.181 1.00 1.00 C ATOM 511 CE LYS A 31 -0.775 -7.389 -5.622 1.00 1.00 C ATOM 512 NZ LYS A 31 -1.333 -7.549 -4.247 1.00 1.00 N ATOM 0 H LYS A 31 3.522 -10.065 -5.872 1.00 1.00 H new ATOM 0 HA LYS A 31 1.800 -11.374 -3.949 1.00 1.00 H new ATOM 0 HB2 LYS A 31 1.526 -10.577 -6.876 1.00 1.00 H new ATOM 0 HB3 LYS A 31 0.257 -11.410 -6.000 1.00 1.00 H new ATOM 0 HG2 LYS A 31 0.241 -9.579 -4.282 1.00 1.00 H new ATOM 0 HG3 LYS A 31 1.513 -8.747 -5.155 1.00 1.00 H new ATOM 0 HD2 LYS A 31 0.003 -8.655 -7.192 1.00 1.00 H new ATOM 0 HD3 LYS A 31 -1.274 -9.397 -6.248 1.00 1.00 H new ATOM 0 HE2 LYS A 31 0.098 -6.737 -5.598 1.00 1.00 H new ATOM 0 HE3 LYS A 31 -1.510 -6.913 -6.271 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 -2.142 -6.907 -4.124 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 -1.647 -8.531 -4.112 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 -0.599 -7.321 -3.546 1.00 1.00 H new ATOM 526 N ALA A 32 3.657 -13.236 -5.466 1.00 1.00 N ATOM 527 CA ALA A 32 4.011 -14.598 -5.856 1.00 1.00 C ATOM 528 C ALA A 32 3.166 -15.050 -7.044 1.00 1.00 C ATOM 529 O ALA A 32 2.706 -16.190 -7.086 1.00 1.00 O ATOM 530 CB ALA A 32 3.799 -15.551 -4.677 1.00 1.00 C ATOM 0 H ALA A 32 4.454 -12.635 -5.255 1.00 1.00 H new ATOM 0 HA ALA A 32 5.061 -14.614 -6.147 1.00 1.00 H new ATOM 0 HB1 ALA A 32 4.065 -16.565 -4.976 1.00 1.00 H new ATOM 0 HB2 ALA A 32 4.428 -15.242 -3.842 1.00 1.00 H new ATOM 0 HB3 ALA A 32 2.753 -15.526 -4.372 1.00 1.00 H new ATOM 536 N LEU A 33 2.971 -14.152 -8.008 1.00 1.00 N ATOM 537 CA LEU A 33 2.181 -14.481 -9.194 1.00 1.00 C ATOM 538 C LEU A 33 2.628 -13.633 -10.379 1.00 1.00 C ATOM 539 O LEU A 33 2.310 -12.447 -10.461 1.00 1.00 O ATOM 540 CB LEU A 33 0.688 -14.249 -8.913 1.00 1.00 C ATOM 541 CG LEU A 33 -0.151 -14.597 -10.156 1.00 1.00 C ATOM 542 CD1 LEU A 33 0.076 -16.066 -10.561 1.00 1.00 C ATOM 543 CD2 LEU A 33 -1.635 -14.369 -9.841 1.00 1.00 C ATOM 0 H LEU A 33 3.344 -13.203 -7.993 1.00 1.00 H new ATOM 0 HA LEU A 33 2.337 -15.532 -9.438 1.00 1.00 H new ATOM 0 HB2 LEU A 33 0.371 -14.861 -8.069 1.00 1.00 H new ATOM 0 HB3 LEU A 33 0.521 -13.209 -8.633 1.00 1.00 H new ATOM 0 HG LEU A 33 0.153 -13.957 -10.985 1.00 1.00 H new ATOM 0 HD11 LEU A 33 -0.524 -16.298 -11.441 1.00 1.00 H new ATOM 0 HD12 LEU A 33 1.130 -16.222 -10.789 1.00 1.00 H new ATOM 0 HD13 LEU A 33 -0.218 -16.719 -9.740 1.00 1.00 H new ATOM 0 HD21 LEU A 33 -2.235 -14.614 -10.718 1.00 1.00 H new ATOM 0 HD22 LEU A 33 -1.932 -15.007 -9.008 1.00 1.00 H new ATOM 0 HD23 LEU A 33 -1.794 -13.324 -9.573 1.00 1.00 H new ATOM 555 N ASP A 34 3.363 -14.252 -11.293 1.00 1.00 N ATOM 556 CA ASP A 34 3.851 -13.550 -12.474 1.00 1.00 C ATOM 557 C ASP A 34 2.725 -13.350 -13.490 1.00 1.00 C ATOM 558 O ASP A 34 1.830 -14.186 -13.609 1.00 1.00 O ATOM 559 CB ASP A 34 4.983 -14.349 -13.117 1.00 1.00 C ATOM 560 CG ASP A 34 6.220 -14.300 -12.226 1.00 1.00 C ATOM 561 OD1 ASP A 34 6.250 -13.468 -11.335 1.00 1.00 O ATOM 562 OD2 ASP A 34 7.116 -15.096 -12.447 1.00 1.00 O ATOM 0 H ASP A 34 3.634 -15.234 -11.241 1.00 1.00 H new ATOM 0 HA ASP A 34 4.220 -12.572 -12.166 1.00 1.00 H new ATOM 0 HB2 ASP A 34 4.672 -15.383 -13.266 1.00 1.00 H new ATOM 0 HB3 ASP A 34 5.216 -13.941 -14.101 1.00 1.00 H new ATOM 567 N LEU A 35 2.770 -12.230 -14.221 1.00 1.00 N ATOM 568 CA LEU A 35 1.742 -11.923 -15.226 1.00 1.00 C ATOM 569 C LEU A 35 2.379 -11.524 -16.558 1.00 1.00 C ATOM 570 O LEU A 35 2.435 -10.340 -16.897 1.00 1.00 O ATOM 571 CB LEU A 35 0.859 -10.774 -14.726 1.00 1.00 C ATOM 572 CG LEU A 35 0.083 -11.217 -13.472 1.00 1.00 C ATOM 573 CD1 LEU A 35 -0.400 -9.986 -12.701 1.00 1.00 C ATOM 574 CD2 LEU A 35 -1.135 -12.073 -13.862 1.00 1.00 C ATOM 0 H LEU A 35 3.502 -11.524 -14.137 1.00 1.00 H new ATOM 0 HA LEU A 35 1.139 -12.818 -15.381 1.00 1.00 H new ATOM 0 HB2 LEU A 35 1.475 -9.905 -14.495 1.00 1.00 H new ATOM 0 HB3 LEU A 35 0.162 -10.472 -15.508 1.00 1.00 H new ATOM 0 HG LEU A 35 0.751 -11.810 -12.847 1.00 1.00 H new ATOM 0 HD11 LEU A 35 -0.949 -10.304 -11.814 1.00 1.00 H new ATOM 0 HD12 LEU A 35 0.458 -9.385 -12.400 1.00 1.00 H new ATOM 0 HD13 LEU A 35 -1.054 -9.391 -13.338 1.00 1.00 H new ATOM 0 HD21 LEU A 35 -1.670 -12.376 -12.962 1.00 1.00 H new ATOM 0 HD22 LEU A 35 -1.799 -11.491 -14.500 1.00 1.00 H new ATOM 0 HD23 LEU A 35 -0.799 -12.959 -14.400 1.00 1.00 H new ATOM 586 N PRO A 36 2.847 -12.486 -17.315 1.00 1.00 N ATOM 587 CA PRO A 36 3.485 -12.232 -18.645 1.00 1.00 C ATOM 588 C PRO A 36 2.583 -11.415 -19.581 1.00 1.00 C ATOM 589 O PRO A 36 3.067 -10.574 -20.340 1.00 1.00 O ATOM 590 CB PRO A 36 3.738 -13.645 -19.205 1.00 1.00 C ATOM 591 CG PRO A 36 3.776 -14.542 -18.009 1.00 1.00 C ATOM 592 CD PRO A 36 2.828 -13.919 -16.982 1.00 1.00 C ATOM 0 HA PRO A 36 4.395 -11.638 -18.554 1.00 1.00 H new ATOM 0 HB2 PRO A 36 2.948 -13.942 -19.895 1.00 1.00 H new ATOM 0 HB3 PRO A 36 4.676 -13.687 -19.758 1.00 1.00 H new ATOM 0 HG2 PRO A 36 3.460 -15.552 -18.269 1.00 1.00 H new ATOM 0 HG3 PRO A 36 4.788 -14.618 -17.610 1.00 1.00 H new ATOM 0 HD2 PRO A 36 1.824 -14.335 -17.060 1.00 1.00 H new ATOM 0 HD3 PRO A 36 3.169 -14.098 -15.962 1.00 1.00 H new ATOM 600 N LYS A 37 1.277 -11.670 -19.529 1.00 1.00 N ATOM 601 CA LYS A 37 0.329 -10.957 -20.385 1.00 1.00 C ATOM 602 C LYS A 37 0.066 -9.545 -19.861 1.00 1.00 C ATOM 603 O LYS A 37 0.000 -9.326 -18.651 1.00 1.00 O ATOM 604 CB LYS A 37 -0.994 -11.729 -20.459 1.00 1.00 C ATOM 605 CG LYS A 37 -0.781 -13.047 -21.207 1.00 1.00 C ATOM 606 CD LYS A 37 -2.131 -13.754 -21.404 1.00 1.00 C ATOM 607 CE LYS A 37 -2.710 -14.192 -20.050 1.00 1.00 C ATOM 608 NZ LYS A 37 -3.474 -13.061 -19.453 1.00 1.00 N ATOM 0 H LYS A 37 0.853 -12.359 -18.908 1.00 1.00 H new ATOM 0 HA LYS A 37 0.767 -10.881 -21.380 1.00 1.00 H new ATOM 0 HB2 LYS A 37 -1.368 -11.926 -19.454 1.00 1.00 H new ATOM 0 HB3 LYS A 37 -1.748 -11.129 -20.968 1.00 1.00 H new ATOM 0 HG2 LYS A 37 -0.315 -12.857 -22.174 1.00 1.00 H new ATOM 0 HG3 LYS A 37 -0.102 -13.689 -20.646 1.00 1.00 H new ATOM 0 HD2 LYS A 37 -2.829 -13.084 -21.906 1.00 1.00 H new ATOM 0 HD3 LYS A 37 -2.003 -14.623 -22.050 1.00 1.00 H new ATOM 0 HE2 LYS A 37 -3.361 -15.056 -20.182 1.00 1.00 H new ATOM 0 HE3 LYS A 37 -1.907 -14.498 -19.380 1.00 1.00 H new ATOM 0 HZ1 LYS A 37 -2.978 -12.716 -18.606 1.00 1.00 H new ATOM 0 HZ2 LYS A 37 -3.552 -12.290 -20.147 1.00 1.00 H new ATOM 0 HZ3 LYS A 37 -4.426 -13.386 -19.189 1.00 1.00 H new ATOM 622 N GLU A 38 -0.087 -8.590 -20.781 1.00 1.00 N ATOM 623 CA GLU A 38 -0.349 -7.203 -20.398 1.00 1.00 C ATOM 624 C GLU A 38 -0.963 -6.429 -21.571 1.00 1.00 C ATOM 625 O GLU A 38 -1.764 -5.515 -21.367 1.00 1.00 O ATOM 626 CB GLU A 38 0.949 -6.527 -19.940 1.00 1.00 C ATOM 627 CG GLU A 38 0.652 -5.107 -19.445 1.00 1.00 C ATOM 628 CD GLU A 38 1.935 -4.447 -18.945 1.00 1.00 C ATOM 629 OE1 GLU A 38 2.898 -5.162 -18.725 1.00 1.00 O ATOM 630 OE2 GLU A 38 1.934 -3.237 -18.789 1.00 1.00 O ATOM 0 H GLU A 38 -0.034 -8.750 -21.787 1.00 1.00 H new ATOM 0 HA GLU A 38 -1.059 -7.200 -19.571 1.00 1.00 H new ATOM 0 HB2 GLU A 38 1.411 -7.110 -19.143 1.00 1.00 H new ATOM 0 HB3 GLU A 38 1.662 -6.492 -20.764 1.00 1.00 H new ATOM 0 HG2 GLU A 38 0.220 -4.515 -20.252 1.00 1.00 H new ATOM 0 HG3 GLU A 38 -0.086 -5.140 -18.643 1.00 1.00 H new ATOM 637 N ILE A 39 -0.596 -6.807 -22.794 1.00 1.00 N ATOM 638 CA ILE A 39 -1.134 -6.145 -23.983 1.00 1.00 C ATOM 639 C ILE A 39 -2.556 -6.628 -24.270 1.00 1.00 C ATOM 640 O ILE A 39 -3.304 -5.988 -25.007 1.00 1.00 O ATOM 641 CB ILE A 39 -0.238 -6.427 -25.199 1.00 1.00 C ATOM 642 CG1 ILE A 39 -0.107 -7.942 -25.408 1.00 1.00 C ATOM 643 CG2 ILE A 39 1.153 -5.829 -24.973 1.00 1.00 C ATOM 644 CD1 ILE A 39 0.663 -8.212 -26.704 1.00 1.00 C ATOM 0 H ILE A 39 0.064 -7.560 -22.988 1.00 1.00 H new ATOM 0 HA ILE A 39 -1.157 -5.072 -23.795 1.00 1.00 H new ATOM 0 HB ILE A 39 -0.690 -5.973 -26.081 1.00 1.00 H new ATOM 0 HG12 ILE A 39 0.412 -8.393 -24.563 1.00 1.00 H new ATOM 0 HG13 ILE A 39 -1.095 -8.400 -25.457 1.00 1.00 H new ATOM 0 HG21 ILE A 39 1.782 -6.033 -25.839 1.00 1.00 H new ATOM 0 HG22 ILE A 39 1.067 -4.751 -24.833 1.00 1.00 H new ATOM 0 HG23 ILE A 39 1.601 -6.276 -24.086 1.00 1.00 H new ATOM 0 HD11 ILE A 39 0.757 -9.288 -26.854 1.00 1.00 H new ATOM 0 HD12 ILE A 39 0.125 -7.774 -27.545 1.00 1.00 H new ATOM 0 HD13 ILE A 39 1.656 -7.767 -26.637 1.00 1.00 H new ATOM 656 N GLY A 40 -2.913 -7.772 -23.690 1.00 1.00 N ATOM 657 CA GLY A 40 -4.242 -8.352 -23.895 1.00 1.00 C ATOM 658 C GLY A 40 -5.324 -7.579 -23.142 1.00 1.00 C ATOM 659 O GLY A 40 -5.865 -8.061 -22.147 1.00 1.00 O ATOM 0 H GLY A 40 -2.305 -8.315 -23.077 1.00 1.00 H new ATOM 0 HA2 GLY A 40 -4.475 -8.358 -24.960 1.00 1.00 H new ATOM 0 HA3 GLY A 40 -4.240 -9.390 -23.563 1.00 1.00 H new ATOM 663 N GLY A 41 -5.637 -6.382 -23.627 1.00 1.00 N ATOM 664 CA GLY A 41 -6.658 -5.548 -22.997 1.00 1.00 C ATOM 665 C GLY A 41 -8.054 -6.171 -23.113 1.00 1.00 C ATOM 666 O GLY A 41 -8.891 -6.003 -22.226 1.00 1.00 O ATOM 0 H GLY A 41 -5.201 -5.968 -24.451 1.00 1.00 H new ATOM 0 HA2 GLY A 41 -6.411 -5.403 -21.945 1.00 1.00 H new ATOM 0 HA3 GLY A 41 -6.660 -4.562 -23.462 1.00 1.00 H new ATOM 670 N ARG A 42 -8.303 -6.869 -24.219 1.00 1.00 N ATOM 671 CA ARG A 42 -9.609 -7.489 -24.453 1.00 1.00 C ATOM 672 C ARG A 42 -9.887 -8.602 -23.447 1.00 1.00 C ATOM 673 O ARG A 42 -8.967 -9.173 -22.861 1.00 1.00 O ATOM 674 CB ARG A 42 -9.666 -8.052 -25.874 1.00 1.00 C ATOM 675 CG ARG A 42 -9.595 -6.898 -26.876 1.00 1.00 C ATOM 676 CD ARG A 42 -9.551 -7.448 -28.304 1.00 1.00 C ATOM 677 NE ARG A 42 -10.788 -8.165 -28.611 1.00 1.00 N ATOM 678 CZ ARG A 42 -11.866 -7.525 -29.057 1.00 1.00 C ATOM 679 NH1 ARG A 42 -11.837 -6.228 -29.213 1.00 1.00 N ATOM 680 NH2 ARG A 42 -12.954 -8.193 -29.338 1.00 1.00 N ATOM 0 H ARG A 42 -7.623 -7.020 -24.964 1.00 1.00 H new ATOM 0 HA ARG A 42 -10.374 -6.722 -24.328 1.00 1.00 H new ATOM 0 HB2 ARG A 42 -8.839 -8.743 -26.038 1.00 1.00 H new ATOM 0 HB3 ARG A 42 -10.587 -8.618 -26.017 1.00 1.00 H new ATOM 0 HG2 ARG A 42 -10.460 -6.246 -26.755 1.00 1.00 H new ATOM 0 HG3 ARG A 42 -8.710 -6.292 -26.683 1.00 1.00 H new ATOM 0 HD2 ARG A 42 -9.412 -6.631 -29.011 1.00 1.00 H new ATOM 0 HD3 ARG A 42 -8.698 -8.117 -28.417 1.00 1.00 H new ATOM 0 HE ARG A 42 -10.825 -9.176 -28.481 1.00 1.00 H new ATOM 0 HH11 ARG A 42 -10.988 -5.707 -28.993 1.00 1.00 H new ATOM 0 HH12 ARG A 42 -12.663 -5.737 -29.555 1.00 1.00 H new ATOM 0 HH21 ARG A 42 -12.977 -9.205 -29.215 1.00 1.00 H new ATOM 0 HH22 ARG A 42 -13.780 -7.702 -29.680 1.00 1.00 H new ATOM 694 N ASN A 43 -11.173 -8.900 -23.249 1.00 1.00 N ATOM 695 CA ASN A 43 -11.588 -9.944 -22.308 1.00 1.00 C ATOM 696 C ASN A 43 -12.877 -10.618 -22.782 1.00 1.00 C ATOM 697 O ASN A 43 -13.495 -10.188 -23.755 1.00 1.00 O ATOM 698 CB ASN A 43 -11.801 -9.334 -20.921 1.00 1.00 C ATOM 699 CG ASN A 43 -12.612 -8.047 -21.034 1.00 1.00 C ATOM 700 OD1 ASN A 43 -12.056 -6.990 -21.336 1.00 1.00 O ATOM 701 ND2 ASN A 43 -13.896 -8.073 -20.811 1.00 1.00 N ATOM 0 H ASN A 43 -11.944 -8.434 -23.727 1.00 1.00 H new ATOM 0 HA ASN A 43 -10.802 -10.698 -22.257 1.00 1.00 H new ATOM 0 HB2 ASN A 43 -12.320 -10.045 -20.278 1.00 1.00 H new ATOM 0 HB3 ASN A 43 -10.838 -9.127 -20.454 1.00 1.00 H new ATOM 0 HD21 ASN A 43 -14.444 -7.216 -20.886 1.00 1.00 H new ATOM 0 HD22 ASN A 43 -14.353 -8.950 -20.561 1.00 1.00 H new ATOM 708 N GLY A 44 -13.270 -11.683 -22.087 1.00 1.00 N ATOM 709 CA GLY A 44 -14.482 -12.423 -22.440 1.00 1.00 C ATOM 710 C GLY A 44 -15.095 -13.093 -21.209 1.00 1.00 C ATOM 711 O GLY A 44 -16.273 -12.891 -20.910 1.00 1.00 O ATOM 0 H GLY A 44 -12.770 -12.053 -21.279 1.00 1.00 H new ATOM 0 HA2 GLY A 44 -15.208 -11.745 -22.889 1.00 1.00 H new ATOM 0 HA3 GLY A 44 -14.246 -13.178 -23.189 1.00 1.00 H new ATOM 715 N PRO A 45 -14.322 -13.876 -20.495 1.00 1.00 N ATOM 716 CA PRO A 45 -14.801 -14.588 -19.266 1.00 1.00 C ATOM 717 C PRO A 45 -15.326 -13.624 -18.199 1.00 1.00 C ATOM 718 O PRO A 45 -14.774 -12.543 -17.993 1.00 1.00 O ATOM 719 CB PRO A 45 -13.548 -15.342 -18.782 1.00 1.00 C ATOM 720 CG PRO A 45 -12.702 -15.481 -20.003 1.00 1.00 C ATOM 721 CD PRO A 45 -12.911 -14.189 -20.776 1.00 1.00 C ATOM 0 HA PRO A 45 -15.646 -15.246 -19.471 1.00 1.00 H new ATOM 0 HB2 PRO A 45 -13.029 -14.788 -18.000 1.00 1.00 H new ATOM 0 HB3 PRO A 45 -13.807 -16.315 -18.365 1.00 1.00 H new ATOM 0 HG2 PRO A 45 -11.653 -15.620 -19.742 1.00 1.00 H new ATOM 0 HG3 PRO A 45 -13.001 -16.347 -20.594 1.00 1.00 H new ATOM 0 HD2 PRO A 45 -12.244 -13.398 -20.433 1.00 1.00 H new ATOM 0 HD3 PRO A 45 -12.729 -14.320 -21.843 1.00 1.00 H new ATOM 729 N GLU A 46 -16.406 -14.031 -17.532 1.00 1.00 N ATOM 730 CA GLU A 46 -17.027 -13.214 -16.491 1.00 1.00 C ATOM 731 C GLU A 46 -16.429 -13.524 -15.111 1.00 1.00 C ATOM 732 O GLU A 46 -15.804 -12.657 -14.496 1.00 1.00 O ATOM 733 CB GLU A 46 -18.554 -13.457 -16.493 1.00 1.00 C ATOM 734 CG GLU A 46 -19.268 -12.358 -17.289 1.00 1.00 C ATOM 735 CD GLU A 46 -20.740 -12.714 -17.469 1.00 1.00 C ATOM 736 OE1 GLU A 46 -21.297 -13.321 -16.569 1.00 1.00 O ATOM 737 OE2 GLU A 46 -21.288 -12.376 -18.505 1.00 1.00 O ATOM 0 H GLU A 46 -16.870 -14.925 -17.695 1.00 1.00 H new ATOM 0 HA GLU A 46 -16.829 -12.163 -16.703 1.00 1.00 H new ATOM 0 HB2 GLU A 46 -18.773 -14.432 -16.929 1.00 1.00 H new ATOM 0 HB3 GLU A 46 -18.927 -13.475 -15.469 1.00 1.00 H new ATOM 0 HG2 GLU A 46 -19.177 -11.404 -16.769 1.00 1.00 H new ATOM 0 HG3 GLU A 46 -18.793 -12.237 -18.263 1.00 1.00 H new ATOM 744 N PRO A 47 -16.602 -14.726 -14.609 1.00 1.00 N ATOM 745 CA PRO A 47 -16.060 -15.118 -13.267 1.00 1.00 C ATOM 746 C PRO A 47 -14.533 -15.020 -13.217 1.00 1.00 C ATOM 747 O PRO A 47 -13.855 -15.280 -14.210 1.00 1.00 O ATOM 748 CB PRO A 47 -16.541 -16.573 -13.091 1.00 1.00 C ATOM 749 CG PRO A 47 -16.815 -17.059 -14.476 1.00 1.00 C ATOM 750 CD PRO A 47 -17.322 -15.842 -15.243 1.00 1.00 C ATOM 0 HA PRO A 47 -16.405 -14.460 -12.470 1.00 1.00 H new ATOM 0 HB2 PRO A 47 -15.782 -17.183 -12.601 1.00 1.00 H new ATOM 0 HB3 PRO A 47 -17.437 -16.621 -12.472 1.00 1.00 H new ATOM 0 HG2 PRO A 47 -15.913 -17.464 -14.935 1.00 1.00 H new ATOM 0 HG3 PRO A 47 -17.557 -17.857 -14.472 1.00 1.00 H new ATOM 0 HD2 PRO A 47 -17.098 -15.914 -16.307 1.00 1.00 H new ATOM 0 HD3 PRO A 47 -18.402 -15.729 -15.152 1.00 1.00 H new ATOM 758 N VAL A 48 -13.999 -14.635 -12.053 1.00 1.00 N ATOM 759 CA VAL A 48 -12.548 -14.502 -11.879 1.00 1.00 C ATOM 760 C VAL A 48 -12.064 -15.347 -10.700 1.00 1.00 C ATOM 761 O VAL A 48 -12.605 -15.267 -9.598 1.00 1.00 O ATOM 762 CB VAL A 48 -12.188 -13.027 -11.656 1.00 1.00 C ATOM 763 CG1 VAL A 48 -12.403 -12.253 -12.958 1.00 1.00 C ATOM 764 CG2 VAL A 48 -13.080 -12.428 -10.563 1.00 1.00 C ATOM 0 H VAL A 48 -14.546 -14.411 -11.222 1.00 1.00 H new ATOM 0 HA VAL A 48 -12.053 -14.862 -12.781 1.00 1.00 H new ATOM 0 HB VAL A 48 -11.145 -12.957 -11.347 1.00 1.00 H new ATOM 0 HG11 VAL A 48 -12.148 -11.204 -12.804 1.00 1.00 H new ATOM 0 HG12 VAL A 48 -11.767 -12.670 -13.739 1.00 1.00 H new ATOM 0 HG13 VAL A 48 -13.447 -12.332 -13.260 1.00 1.00 H new ATOM 0 HG21 VAL A 48 -12.817 -11.381 -10.412 1.00 1.00 H new ATOM 0 HG22 VAL A 48 -14.125 -12.500 -10.866 1.00 1.00 H new ATOM 0 HG23 VAL A 48 -12.934 -12.977 -9.633 1.00 1.00 H new ATOM 774 N ARG A 49 -11.040 -16.163 -10.942 1.00 1.00 N ATOM 775 CA ARG A 49 -10.488 -17.027 -9.896 1.00 1.00 C ATOM 776 C ARG A 49 -9.524 -16.249 -9.000 1.00 1.00 C ATOM 777 O ARG A 49 -9.182 -16.703 -7.908 1.00 1.00 O ATOM 778 CB ARG A 49 -9.754 -18.215 -10.531 1.00 1.00 C ATOM 779 CG ARG A 49 -10.712 -19.011 -11.437 1.00 1.00 C ATOM 780 CD ARG A 49 -11.612 -19.926 -10.597 1.00 1.00 C ATOM 781 NE ARG A 49 -12.408 -20.786 -11.476 1.00 1.00 N ATOM 782 CZ ARG A 49 -13.669 -20.492 -11.807 1.00 1.00 C ATOM 783 NH1 ARG A 49 -14.244 -19.412 -11.347 1.00 1.00 N ATOM 784 NH2 ARG A 49 -14.329 -21.294 -12.600 1.00 1.00 N ATOM 0 H ARG A 49 -10.577 -16.245 -11.847 1.00 1.00 H new ATOM 0 HA ARG A 49 -11.313 -17.393 -9.285 1.00 1.00 H new ATOM 0 HB2 ARG A 49 -8.904 -17.858 -11.113 1.00 1.00 H new ATOM 0 HB3 ARG A 49 -9.356 -18.864 -9.751 1.00 1.00 H new ATOM 0 HG2 ARG A 49 -11.325 -18.324 -12.020 1.00 1.00 H new ATOM 0 HG3 ARG A 49 -10.139 -19.607 -12.147 1.00 1.00 H new ATOM 0 HD2 ARG A 49 -11.003 -20.537 -9.930 1.00 1.00 H new ATOM 0 HD3 ARG A 49 -12.270 -19.326 -9.968 1.00 1.00 H new ATOM 0 HE ARG A 49 -11.986 -21.637 -11.848 1.00 1.00 H new ATOM 0 HH11 ARG A 49 -13.730 -18.784 -10.729 1.00 1.00 H new ATOM 0 HH12 ARG A 49 -15.207 -19.197 -11.606 1.00 1.00 H new ATOM 0 HH21 ARG A 49 -13.881 -22.136 -12.961 1.00 1.00 H new ATOM 0 HH22 ARG A 49 -15.292 -21.078 -12.858 1.00 1.00 H new ATOM 798 N PHE A 50 -9.092 -15.075 -9.461 1.00 1.00 N ATOM 799 CA PHE A 50 -8.176 -14.236 -8.687 1.00 1.00 C ATOM 800 C PHE A 50 -8.906 -12.990 -8.203 1.00 1.00 C ATOM 801 O PHE A 50 -9.372 -12.181 -9.005 1.00 1.00 O ATOM 802 CB PHE A 50 -6.977 -13.832 -9.551 1.00 1.00 C ATOM 803 CG PHE A 50 -6.072 -15.028 -9.750 1.00 1.00 C ATOM 804 CD1 PHE A 50 -5.103 -15.342 -8.788 1.00 1.00 C ATOM 805 CD2 PHE A 50 -6.203 -15.825 -10.895 1.00 1.00 C ATOM 806 CE1 PHE A 50 -4.265 -16.449 -8.972 1.00 1.00 C ATOM 807 CE2 PHE A 50 -5.366 -16.931 -11.078 1.00 1.00 C ATOM 808 CZ PHE A 50 -4.397 -17.244 -10.117 1.00 1.00 C ATOM 0 H PHE A 50 -9.361 -14.684 -10.364 1.00 1.00 H new ATOM 0 HA PHE A 50 -7.818 -14.801 -7.826 1.00 1.00 H new ATOM 0 HB2 PHE A 50 -7.320 -13.458 -10.516 1.00 1.00 H new ATOM 0 HB3 PHE A 50 -6.427 -13.022 -9.072 1.00 1.00 H new ATOM 0 HD1 PHE A 50 -5.002 -14.730 -7.904 1.00 1.00 H new ATOM 0 HD2 PHE A 50 -6.951 -15.585 -11.637 1.00 1.00 H new ATOM 0 HE1 PHE A 50 -3.517 -16.689 -8.231 1.00 1.00 H new ATOM 0 HE2 PHE A 50 -5.467 -17.544 -11.961 1.00 1.00 H new ATOM 0 HZ PHE A 50 -3.752 -18.098 -10.259 1.00 1.00 H new ATOM 818 N GLY A 51 -9.013 -12.846 -6.883 1.00 1.00 N ATOM 819 CA GLY A 51 -9.703 -11.700 -6.291 1.00 1.00 C ATOM 820 C GLY A 51 -8.711 -10.616 -5.881 1.00 1.00 C ATOM 821 O GLY A 51 -7.510 -10.863 -5.778 1.00 1.00 O ATOM 0 H GLY A 51 -8.632 -13.506 -6.205 1.00 1.00 H new ATOM 0 HA2 GLY A 51 -10.418 -11.292 -7.006 1.00 1.00 H new ATOM 0 HA3 GLY A 51 -10.273 -12.024 -5.420 1.00 1.00 H new ATOM 825 N ASP A 52 -9.226 -9.406 -5.657 1.00 1.00 N ATOM 826 CA ASP A 52 -8.384 -8.271 -5.270 1.00 1.00 C ATOM 827 C ASP A 52 -8.346 -8.093 -3.750 1.00 1.00 C ATOM 828 O ASP A 52 -7.706 -7.171 -3.245 1.00 1.00 O ATOM 829 CB ASP A 52 -8.917 -6.996 -5.922 1.00 1.00 C ATOM 830 CG ASP A 52 -10.397 -6.820 -5.597 1.00 1.00 C ATOM 831 OD1 ASP A 52 -10.964 -7.723 -5.002 1.00 1.00 O ATOM 832 OD2 ASP A 52 -10.943 -5.788 -5.951 1.00 1.00 O ATOM 0 H ASP A 52 -10.219 -9.186 -5.736 1.00 1.00 H new ATOM 0 HA ASP A 52 -7.368 -8.470 -5.611 1.00 1.00 H new ATOM 0 HB2 ASP A 52 -8.354 -6.133 -5.566 1.00 1.00 H new ATOM 0 HB3 ASP A 52 -8.777 -7.045 -7.002 1.00 1.00 H new ATOM 837 N TRP A 53 -9.020 -8.982 -3.025 1.00 1.00 N ATOM 838 CA TRP A 53 -9.041 -8.912 -1.561 1.00 1.00 C ATOM 839 C TRP A 53 -9.183 -7.466 -1.078 1.00 1.00 C ATOM 840 O TRP A 53 -8.469 -7.037 -0.172 1.00 1.00 O ATOM 841 CB TRP A 53 -7.751 -9.517 -0.998 1.00 1.00 C ATOM 842 CG TRP A 53 -7.896 -9.762 0.473 1.00 1.00 C ATOM 843 CD1 TRP A 53 -7.406 -8.961 1.449 1.00 1.00 C ATOM 844 CD2 TRP A 53 -8.557 -10.870 1.148 1.00 1.00 C ATOM 845 NE1 TRP A 53 -7.727 -9.507 2.679 1.00 1.00 N ATOM 846 CE2 TRP A 53 -8.436 -10.685 2.547 1.00 1.00 C ATOM 847 CE3 TRP A 53 -9.244 -12.008 0.688 1.00 1.00 C ATOM 848 CZ2 TRP A 53 -8.977 -11.596 3.455 1.00 1.00 C ATOM 849 CZ3 TRP A 53 -9.789 -12.926 1.599 1.00 1.00 C ATOM 850 CH2 TRP A 53 -9.656 -12.722 2.980 1.00 1.00 C ATOM 0 H TRP A 53 -9.556 -9.755 -3.420 1.00 1.00 H new ATOM 0 HA TRP A 53 -9.902 -9.478 -1.205 1.00 1.00 H new ATOM 0 HB2 TRP A 53 -7.525 -10.453 -1.510 1.00 1.00 H new ATOM 0 HB3 TRP A 53 -6.914 -8.843 -1.182 1.00 1.00 H new ATOM 0 HD1 TRP A 53 -6.855 -8.046 1.293 1.00 1.00 H new ATOM 0 HE1 TRP A 53 -7.471 -9.090 3.574 1.00 1.00 H new ATOM 0 HE3 TRP A 53 -9.353 -12.176 -0.373 1.00 1.00 H new ATOM 0 HZ2 TRP A 53 -8.872 -11.432 4.517 1.00 1.00 H new ATOM 0 HZ3 TRP A 53 -10.315 -13.796 1.234 1.00 1.00 H new ATOM 0 HH2 TRP A 53 -10.077 -13.433 3.675 1.00 1.00 H new ATOM 861 N GLU A 54 -10.112 -6.728 -1.681 1.00 1.00 N ATOM 862 CA GLU A 54 -10.350 -5.334 -1.300 1.00 1.00 C ATOM 863 C GLU A 54 -9.063 -4.508 -1.398 1.00 1.00 C ATOM 864 O GLU A 54 -8.863 -3.765 -2.358 1.00 1.00 O ATOM 865 CB GLU A 54 -10.898 -5.274 0.128 1.00 1.00 C ATOM 866 CG GLU A 54 -11.223 -3.825 0.497 1.00 1.00 C ATOM 867 CD GLU A 54 -11.865 -3.768 1.878 1.00 1.00 C ATOM 868 OE1 GLU A 54 -12.287 -4.807 2.359 1.00 1.00 O ATOM 869 OE2 GLU A 54 -11.927 -2.683 2.436 1.00 1.00 O ATOM 0 H GLU A 54 -10.711 -7.068 -2.433 1.00 1.00 H new ATOM 0 HA GLU A 54 -11.080 -4.911 -1.990 1.00 1.00 H new ATOM 0 HB2 GLU A 54 -11.794 -5.890 0.210 1.00 1.00 H new ATOM 0 HB3 GLU A 54 -10.166 -5.681 0.826 1.00 1.00 H new ATOM 0 HG2 GLU A 54 -10.313 -3.226 0.486 1.00 1.00 H new ATOM 0 HG3 GLU A 54 -11.897 -3.395 -0.244 1.00 1.00 H new ATOM 876 N LYS A 55 -8.197 -4.651 -0.398 1.00 1.00 N ATOM 877 CA LYS A 55 -6.921 -3.928 -0.366 1.00 1.00 C ATOM 878 C LYS A 55 -7.133 -2.411 -0.382 1.00 1.00 C ATOM 879 O LYS A 55 -6.921 -1.756 -1.402 1.00 1.00 O ATOM 880 CB LYS A 55 -6.061 -4.345 -1.564 1.00 1.00 C ATOM 881 CG LYS A 55 -4.637 -3.806 -1.397 1.00 1.00 C ATOM 882 CD LYS A 55 -3.759 -4.332 -2.536 1.00 1.00 C ATOM 883 CE LYS A 55 -2.324 -3.821 -2.370 1.00 1.00 C ATOM 884 NZ LYS A 55 -1.465 -4.398 -3.445 1.00 1.00 N ATOM 0 H LYS A 55 -8.353 -5.261 0.404 1.00 1.00 H new ATOM 0 HA LYS A 55 -6.411 -4.185 0.562 1.00 1.00 H new ATOM 0 HB2 LYS A 55 -6.040 -5.432 -1.647 1.00 1.00 H new ATOM 0 HB3 LYS A 55 -6.498 -3.963 -2.487 1.00 1.00 H new ATOM 0 HG2 LYS A 55 -4.646 -2.716 -1.403 1.00 1.00 H new ATOM 0 HG3 LYS A 55 -4.229 -4.116 -0.435 1.00 1.00 H new ATOM 0 HD2 LYS A 55 -3.768 -5.422 -2.539 1.00 1.00 H new ATOM 0 HD3 LYS A 55 -4.161 -4.007 -3.496 1.00 1.00 H new ATOM 0 HE2 LYS A 55 -2.306 -2.732 -2.420 1.00 1.00 H new ATOM 0 HE3 LYS A 55 -1.937 -4.102 -1.390 1.00 1.00 H new ATOM 0 HZ1 LYS A 55 -0.773 -5.050 -3.024 1.00 1.00 H new ATOM 0 HZ2 LYS A 55 -2.059 -4.915 -4.124 1.00 1.00 H new ATOM 0 HZ3 LYS A 55 -0.964 -3.632 -3.938 1.00 1.00 H new ATOM 898 N LYS A 56 -7.546 -1.862 0.762 1.00 1.00 N ATOM 899 CA LYS A 56 -7.782 -0.418 0.888 1.00 1.00 C ATOM 900 C LYS A 56 -8.446 0.139 -0.371 1.00 1.00 C ATOM 901 O LYS A 56 -9.620 -0.119 -0.626 1.00 1.00 O ATOM 902 CB LYS A 56 -6.458 0.312 1.144 1.00 1.00 C ATOM 903 CG LYS A 56 -5.890 -0.107 2.505 1.00 1.00 C ATOM 904 CD LYS A 56 -4.574 0.632 2.765 1.00 1.00 C ATOM 905 CE LYS A 56 -3.990 0.189 4.111 1.00 1.00 C ATOM 906 NZ LYS A 56 -2.695 0.891 4.349 1.00 1.00 N ATOM 0 H LYS A 56 -7.724 -2.393 1.615 1.00 1.00 H new ATOM 0 HA LYS A 56 -8.452 -0.256 1.732 1.00 1.00 H new ATOM 0 HB2 LYS A 56 -5.744 0.078 0.354 1.00 1.00 H new ATOM 0 HB3 LYS A 56 -6.616 1.390 1.122 1.00 1.00 H new ATOM 0 HG2 LYS A 56 -6.607 0.119 3.294 1.00 1.00 H new ATOM 0 HG3 LYS A 56 -5.723 -1.184 2.524 1.00 1.00 H new ATOM 0 HD2 LYS A 56 -3.865 0.424 1.964 1.00 1.00 H new ATOM 0 HD3 LYS A 56 -4.745 1.709 2.768 1.00 1.00 H new ATOM 0 HE2 LYS A 56 -4.691 0.414 4.915 1.00 1.00 H new ATOM 0 HE3 LYS A 56 -3.837 -0.890 4.115 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 -2.300 0.590 5.263 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 -2.027 0.655 3.588 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 -2.855 1.919 4.363 1.00 1.00 H new ATOM 920 N GLY A 57 -7.688 0.907 -1.157 1.00 1.00 N ATOM 921 CA GLY A 57 -8.217 1.494 -2.392 1.00 1.00 C ATOM 922 C GLY A 57 -8.525 2.975 -2.205 1.00 1.00 C ATOM 923 O GLY A 57 -8.134 3.807 -3.025 1.00 1.00 O ATOM 0 H GLY A 57 -6.713 1.136 -0.963 1.00 1.00 H new ATOM 0 HA2 GLY A 57 -7.493 1.368 -3.198 1.00 1.00 H new ATOM 0 HA3 GLY A 57 -9.122 0.966 -2.691 1.00 1.00 H new ATOM 927 N ILE A 58 -9.229 3.303 -1.122 1.00 1.00 N ATOM 928 CA ILE A 58 -9.587 4.693 -0.839 1.00 1.00 C ATOM 929 C ILE A 58 -8.582 5.307 0.132 1.00 1.00 C ATOM 930 O ILE A 58 -8.899 5.559 1.293 1.00 1.00 O ATOM 931 CB ILE A 58 -10.997 4.751 -0.238 1.00 1.00 C ATOM 932 CG1 ILE A 58 -11.983 4.094 -1.210 1.00 1.00 C ATOM 933 CG2 ILE A 58 -11.410 6.215 -0.022 1.00 1.00 C ATOM 934 CD1 ILE A 58 -13.324 3.879 -0.509 1.00 1.00 C ATOM 0 H ILE A 58 -9.561 2.631 -0.430 1.00 1.00 H new ATOM 0 HA ILE A 58 -9.569 5.261 -1.769 1.00 1.00 H new ATOM 0 HB ILE A 58 -11.005 4.226 0.717 1.00 1.00 H new ATOM 0 HG12 ILE A 58 -12.117 4.724 -2.089 1.00 1.00 H new ATOM 0 HG13 ILE A 58 -11.586 3.141 -1.558 1.00 1.00 H new ATOM 0 HG21 ILE A 58 -12.412 6.251 0.405 1.00 1.00 H new ATOM 0 HG22 ILE A 58 -10.708 6.694 0.660 1.00 1.00 H new ATOM 0 HG23 ILE A 58 -11.404 6.740 -0.977 1.00 1.00 H new ATOM 0 HD11 ILE A 58 -14.025 3.412 -1.200 1.00 1.00 H new ATOM 0 HD12 ILE A 58 -13.182 3.232 0.357 1.00 1.00 H new ATOM 0 HD13 ILE A 58 -13.722 4.840 -0.183 1.00 1.00 H new ATOM 946 N ALA A 59 -7.363 5.543 -0.353 1.00 1.00 N ATOM 947 CA ALA A 59 -6.310 6.131 0.476 1.00 1.00 C ATOM 948 C ALA A 59 -4.936 5.900 -0.162 1.00 1.00 C ATOM 949 O ALA A 59 -3.978 6.611 0.140 1.00 1.00 O ATOM 950 CB ALA A 59 -6.340 5.523 1.896 1.00 1.00 C ATOM 0 H ALA A 59 -7.081 5.337 -1.311 1.00 1.00 H new ATOM 0 HA ALA A 59 -6.489 7.204 0.548 1.00 1.00 H new ATOM 0 HB1 ALA A 59 -5.551 5.971 2.500 1.00 1.00 H new ATOM 0 HB2 ALA A 59 -7.307 5.723 2.357 1.00 1.00 H new ATOM 0 HB3 ALA A 59 -6.183 4.446 1.834 1.00 1.00 H new ATOM 956 N ILE A 60 -4.849 4.899 -1.031 1.00 1.00 N ATOM 957 CA ILE A 60 -3.582 4.581 -1.687 1.00 1.00 C ATOM 958 C ILE A 60 -3.246 5.611 -2.768 1.00 1.00 C ATOM 959 O ILE A 60 -4.052 5.887 -3.657 1.00 1.00 O ATOM 960 CB ILE A 60 -3.652 3.176 -2.301 1.00 1.00 C ATOM 961 CG1 ILE A 60 -2.288 2.794 -2.881 1.00 1.00 C ATOM 962 CG2 ILE A 60 -4.703 3.143 -3.411 1.00 1.00 C ATOM 963 CD1 ILE A 60 -2.275 1.296 -3.198 1.00 1.00 C ATOM 0 H ILE A 60 -5.630 4.299 -1.297 1.00 1.00 H new ATOM 0 HA ILE A 60 -2.792 4.609 -0.937 1.00 1.00 H new ATOM 0 HB ILE A 60 -3.927 2.465 -1.523 1.00 1.00 H new ATOM 0 HG12 ILE A 60 -2.090 3.370 -3.785 1.00 1.00 H new ATOM 0 HG13 ILE A 60 -1.497 3.034 -2.170 1.00 1.00 H new ATOM 0 HG21 ILE A 60 -4.746 2.143 -3.841 1.00 1.00 H new ATOM 0 HG22 ILE A 60 -5.677 3.403 -2.997 1.00 1.00 H new ATOM 0 HG23 ILE A 60 -4.436 3.860 -4.187 1.00 1.00 H new ATOM 0 HD11 ILE A 60 -1.305 1.020 -3.611 1.00 1.00 H new ATOM 0 HD12 ILE A 60 -2.455 0.729 -2.284 1.00 1.00 H new ATOM 0 HD13 ILE A 60 -3.056 1.071 -3.924 1.00 1.00 H new ATOM 975 N ASP A 61 -2.042 6.175 -2.678 1.00 1.00 N ATOM 976 CA ASP A 61 -1.581 7.172 -3.644 1.00 1.00 C ATOM 977 C ASP A 61 -2.538 8.361 -3.728 1.00 1.00 C ATOM 978 O ASP A 61 -2.367 9.355 -3.022 1.00 1.00 O ATOM 979 CB ASP A 61 -1.428 6.529 -5.022 1.00 1.00 C ATOM 980 CG ASP A 61 -0.212 5.606 -5.032 1.00 1.00 C ATOM 981 OD1 ASP A 61 0.519 5.611 -4.057 1.00 1.00 O ATOM 982 OD2 ASP A 61 -0.027 4.912 -6.018 1.00 1.00 O ATOM 0 H ASP A 61 -1.367 5.958 -1.945 1.00 1.00 H new ATOM 0 HA ASP A 61 -0.615 7.545 -3.304 1.00 1.00 H new ATOM 0 HB2 ASP A 61 -2.326 5.964 -5.271 1.00 1.00 H new ATOM 0 HB3 ASP A 61 -1.316 7.301 -5.783 1.00 1.00 H new ATOM 987 N PHE A 62 -3.539 8.264 -4.600 1.00 1.00 N ATOM 988 CA PHE A 62 -4.504 9.352 -4.765 1.00 1.00 C ATOM 989 C PHE A 62 -5.808 8.828 -5.358 1.00 1.00 C ATOM 990 O PHE A 62 -5.901 8.769 -6.574 1.00 1.00 O ATOM 991 CB PHE A 62 -3.931 10.430 -5.690 1.00 1.00 C ATOM 992 CG PHE A 62 -2.783 11.142 -5.011 1.00 1.00 C ATOM 993 CD1 PHE A 62 -3.042 12.189 -4.118 1.00 1.00 C ATOM 994 CD2 PHE A 62 -1.464 10.763 -5.283 1.00 1.00 C ATOM 995 CE1 PHE A 62 -1.979 12.859 -3.497 1.00 1.00 C ATOM 996 CE2 PHE A 62 -0.401 11.435 -4.663 1.00 1.00 C ATOM 997 CZ PHE A 62 -0.659 12.482 -3.772 1.00 1.00 C ATOM 0 H PHE A 62 -3.704 7.454 -5.198 1.00 1.00 H new ATOM 0 HA PHE A 62 -4.703 9.780 -3.782 1.00 1.00 H new ATOM 0 HB2 PHE A 62 -3.589 9.977 -6.620 1.00 1.00 H new ATOM 0 HB3 PHE A 62 -4.709 11.147 -5.952 1.00 1.00 H new ATOM 0 HD1 PHE A 62 -4.061 12.480 -3.908 1.00 1.00 H new ATOM 0 HD2 PHE A 62 -1.265 9.954 -5.970 1.00 1.00 H new ATOM 0 HE1 PHE A 62 -2.178 13.666 -2.807 1.00 1.00 H new ATOM 0 HE2 PHE A 62 0.618 11.144 -4.873 1.00 1.00 H new ATOM 0 HZ PHE A 62 0.161 13.000 -3.296 1.00 1.00 H new TER 1007 PHE A 62