USER MOD reduce.3.24.130724 H: found=0, std=0, add=506, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 506 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 4 MET CE :methyl 152:sc= -1.01! (180deg=0) USER MOD Set 1.2: A 5 THR OG1 : rot 125:sc= -1.26! USER MOD Single : A 1 MET CE :methyl 155:sc= -0.143 (180deg=-0.995) USER MOD Single : A 1 MET N :NH3+ 174:sc= -0.981 (180deg=-1.04) USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.0871 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ -116:sc= -3.36! (180deg=-5.87!) USER MOD Single : A 43 ASN : amide:sc= -0.0581 K(o=-0.058,f=-1.9!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -165:sc= -0.0172 (180deg=-0.371) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -36.325 -18.341 -13.716 1.00 1.00 N ATOM 2 CA MET A 1 -37.802 -18.529 -13.673 1.00 1.00 C ATOM 3 C MET A 1 -38.484 -17.177 -13.471 1.00 1.00 C ATOM 4 O MET A 1 -39.658 -17.012 -13.797 1.00 1.00 O ATOM 5 CB MET A 1 -38.161 -19.487 -12.530 1.00 1.00 C ATOM 6 CG MET A 1 -37.248 -19.219 -11.332 1.00 1.00 C ATOM 7 SD MET A 1 -37.778 -20.237 -9.930 1.00 1.00 S ATOM 8 CE MET A 1 -37.347 -21.852 -10.629 1.00 1.00 C ATOM 0 H1 MET A 1 -35.858 -19.269 -13.751 1.00 1.00 H new ATOM 0 H2 MET A 1 -36.069 -17.792 -14.562 1.00 1.00 H new ATOM 0 H3 MET A 1 -36.015 -17.830 -12.865 1.00 1.00 H new ATOM 0 HA MET A 1 -38.147 -18.958 -14.614 1.00 1.00 H new ATOM 0 HB2 MET A 1 -39.204 -19.353 -12.243 1.00 1.00 H new ATOM 0 HB3 MET A 1 -38.052 -20.520 -12.860 1.00 1.00 H new ATOM 0 HG2 MET A 1 -36.214 -19.447 -11.591 1.00 1.00 H new ATOM 0 HG3 MET A 1 -37.284 -18.163 -11.063 1.00 1.00 H new ATOM 0 HE1 MET A 1 -37.168 -22.562 -9.821 1.00 1.00 H new ATOM 0 HE2 MET A 1 -38.167 -22.210 -11.251 1.00 1.00 H new ATOM 0 HE3 MET A 1 -36.446 -21.757 -11.235 1.00 1.00 H new ATOM 20 N ARG A 2 -37.740 -16.206 -12.948 1.00 1.00 N ATOM 21 CA ARG A 2 -38.296 -14.875 -12.734 1.00 1.00 C ATOM 22 C ARG A 2 -38.645 -14.258 -14.083 1.00 1.00 C ATOM 23 O ARG A 2 -39.675 -13.602 -14.238 1.00 1.00 O ATOM 24 CB ARG A 2 -37.283 -13.982 -12.002 1.00 1.00 C ATOM 25 CG ARG A 2 -37.093 -14.459 -10.553 1.00 1.00 C ATOM 26 CD ARG A 2 -38.203 -13.903 -9.649 1.00 1.00 C ATOM 27 NE ARG A 2 -37.936 -14.259 -8.260 1.00 1.00 N ATOM 28 CZ ARG A 2 -37.052 -13.583 -7.534 1.00 1.00 C ATOM 29 NH1 ARG A 2 -36.418 -12.569 -8.054 1.00 1.00 N ATOM 30 NH2 ARG A 2 -36.819 -13.937 -6.300 1.00 1.00 N ATOM 0 H ARG A 2 -36.765 -16.313 -12.668 1.00 1.00 H new ATOM 0 HA ARG A 2 -39.193 -14.956 -12.120 1.00 1.00 H new ATOM 0 HB2 ARG A 2 -36.327 -14.001 -12.526 1.00 1.00 H new ATOM 0 HB3 ARG A 2 -37.629 -12.948 -12.008 1.00 1.00 H new ATOM 0 HG2 ARG A 2 -37.101 -15.548 -10.519 1.00 1.00 H new ATOM 0 HG3 ARG A 2 -36.120 -14.136 -10.183 1.00 1.00 H new ATOM 0 HD2 ARG A 2 -38.259 -12.819 -9.752 1.00 1.00 H new ATOM 0 HD3 ARG A 2 -39.169 -14.303 -9.957 1.00 1.00 H new ATOM 0 HE ARG A 2 -38.437 -15.041 -7.838 1.00 1.00 H new ATOM 0 HH11 ARG A 2 -36.600 -12.294 -9.019 1.00 1.00 H new ATOM 0 HH12 ARG A 2 -35.740 -12.051 -7.496 1.00 1.00 H new ATOM 0 HH21 ARG A 2 -37.315 -14.731 -5.895 1.00 1.00 H new ATOM 0 HH22 ARG A 2 -36.141 -13.420 -5.740 1.00 1.00 H new ATOM 44 N ASP A 3 -37.779 -14.498 -15.063 1.00 1.00 N ATOM 45 CA ASP A 3 -37.991 -13.993 -16.414 1.00 1.00 C ATOM 46 C ASP A 3 -38.276 -12.490 -16.405 1.00 1.00 C ATOM 47 O ASP A 3 -39.061 -11.994 -17.214 1.00 1.00 O ATOM 48 CB ASP A 3 -39.154 -14.751 -17.065 1.00 1.00 C ATOM 49 CG ASP A 3 -39.203 -14.462 -18.563 1.00 1.00 C ATOM 50 OD1 ASP A 3 -38.591 -13.494 -18.981 1.00 1.00 O ATOM 51 OD2 ASP A 3 -39.851 -15.219 -19.270 1.00 1.00 O ATOM 0 H ASP A 3 -36.923 -15.040 -14.946 1.00 1.00 H new ATOM 0 HA ASP A 3 -37.081 -14.154 -16.992 1.00 1.00 H new ATOM 0 HB2 ASP A 3 -39.038 -15.822 -16.898 1.00 1.00 H new ATOM 0 HB3 ASP A 3 -40.095 -14.456 -16.600 1.00 1.00 H new ATOM 56 N MET A 4 -37.623 -11.765 -15.491 1.00 1.00 N ATOM 57 CA MET A 4 -37.797 -10.311 -15.385 1.00 1.00 C ATOM 58 C MET A 4 -36.434 -9.621 -15.293 1.00 1.00 C ATOM 59 O MET A 4 -35.700 -9.810 -14.323 1.00 1.00 O ATOM 60 CB MET A 4 -38.632 -9.980 -14.136 1.00 1.00 C ATOM 61 CG MET A 4 -39.256 -8.583 -14.266 1.00 1.00 C ATOM 62 SD MET A 4 -37.952 -7.327 -14.220 1.00 1.00 S ATOM 63 CE MET A 4 -38.841 -6.040 -15.131 1.00 1.00 C ATOM 0 H MET A 4 -36.970 -12.160 -14.814 1.00 1.00 H new ATOM 0 HA MET A 4 -38.315 -9.951 -16.274 1.00 1.00 H new ATOM 0 HB2 MET A 4 -39.417 -10.725 -14.007 1.00 1.00 H new ATOM 0 HB3 MET A 4 -38.002 -10.023 -13.247 1.00 1.00 H new ATOM 0 HG2 MET A 4 -39.814 -8.508 -15.200 1.00 1.00 H new ATOM 0 HG3 MET A 4 -39.966 -8.414 -13.456 1.00 1.00 H new ATOM 0 HE1 MET A 4 -38.483 -5.059 -14.818 1.00 1.00 H new ATOM 0 HE2 MET A 4 -38.668 -6.165 -16.200 1.00 1.00 H new ATOM 0 HE3 MET A 4 -39.908 -6.119 -14.924 1.00 1.00 H new ATOM 73 N THR A 5 -36.103 -8.826 -16.308 1.00 1.00 N ATOM 74 CA THR A 5 -34.822 -8.117 -16.336 1.00 1.00 C ATOM 75 C THR A 5 -33.697 -9.019 -15.832 1.00 1.00 C ATOM 76 O THR A 5 -33.245 -8.892 -14.694 1.00 1.00 O ATOM 77 CB THR A 5 -34.899 -6.854 -15.471 1.00 1.00 C ATOM 78 OG1 THR A 5 -36.061 -6.117 -15.821 1.00 1.00 O ATOM 79 CG2 THR A 5 -33.657 -5.990 -15.711 1.00 1.00 C ATOM 0 H THR A 5 -36.699 -8.656 -17.118 1.00 1.00 H new ATOM 0 HA THR A 5 -34.609 -7.834 -17.367 1.00 1.00 H new ATOM 0 HB THR A 5 -34.945 -7.136 -14.419 1.00 1.00 H new ATOM 0 HG1 THR A 5 -36.603 -5.960 -15.020 1.00 1.00 H new ATOM 0 HG21 THR A 5 -33.714 -5.092 -15.095 1.00 1.00 H new ATOM 0 HG22 THR A 5 -32.764 -6.556 -15.447 1.00 1.00 H new ATOM 0 HG23 THR A 5 -33.609 -5.706 -16.762 1.00 1.00 H new ATOM 87 N GLU A 6 -33.256 -9.931 -16.691 1.00 1.00 N ATOM 88 CA GLU A 6 -32.188 -10.857 -16.336 1.00 1.00 C ATOM 89 C GLU A 6 -30.823 -10.184 -16.468 1.00 1.00 C ATOM 90 O GLU A 6 -30.558 -9.486 -17.446 1.00 1.00 O ATOM 91 CB GLU A 6 -32.259 -12.086 -17.247 1.00 1.00 C ATOM 92 CG GLU A 6 -33.521 -12.888 -16.915 1.00 1.00 C ATOM 93 CD GLU A 6 -33.677 -14.054 -17.887 1.00 1.00 C ATOM 94 OE1 GLU A 6 -32.793 -14.239 -18.708 1.00 1.00 O ATOM 95 OE2 GLU A 6 -34.680 -14.743 -17.796 1.00 1.00 O ATOM 0 H GLU A 6 -33.621 -10.049 -17.636 1.00 1.00 H new ATOM 0 HA GLU A 6 -32.316 -11.164 -15.298 1.00 1.00 H new ATOM 0 HB2 GLU A 6 -32.274 -11.778 -18.292 1.00 1.00 H new ATOM 0 HB3 GLU A 6 -31.373 -12.706 -17.110 1.00 1.00 H new ATOM 0 HG2 GLU A 6 -33.464 -13.263 -15.893 1.00 1.00 H new ATOM 0 HG3 GLU A 6 -34.396 -12.241 -16.969 1.00 1.00 H new ATOM 102 N GLU A 7 -29.960 -10.391 -15.469 1.00 1.00 N ATOM 103 CA GLU A 7 -28.617 -9.798 -15.466 1.00 1.00 C ATOM 104 C GLU A 7 -27.548 -10.889 -15.517 1.00 1.00 C ATOM 105 O GLU A 7 -27.586 -11.844 -14.743 1.00 1.00 O ATOM 106 CB GLU A 7 -28.419 -8.962 -14.195 1.00 1.00 C ATOM 107 CG GLU A 7 -29.382 -7.770 -14.193 1.00 1.00 C ATOM 108 CD GLU A 7 -29.052 -6.820 -15.339 1.00 1.00 C ATOM 109 OE1 GLU A 7 -27.945 -6.894 -15.846 1.00 1.00 O ATOM 110 OE2 GLU A 7 -29.915 -6.034 -15.695 1.00 1.00 O ATOM 0 H GLU A 7 -30.166 -10.965 -14.651 1.00 1.00 H new ATOM 0 HA GLU A 7 -28.521 -9.162 -16.346 1.00 1.00 H new ATOM 0 HB2 GLU A 7 -28.591 -9.580 -13.314 1.00 1.00 H new ATOM 0 HB3 GLU A 7 -27.390 -8.608 -14.140 1.00 1.00 H new ATOM 0 HG2 GLU A 7 -30.409 -8.123 -14.289 1.00 1.00 H new ATOM 0 HG3 GLU A 7 -29.314 -7.241 -13.242 1.00 1.00 H new ATOM 117 N THR A 8 -26.590 -10.733 -16.431 1.00 1.00 N ATOM 118 CA THR A 8 -25.501 -11.703 -16.576 1.00 1.00 C ATOM 119 C THR A 8 -24.219 -10.992 -17.000 1.00 1.00 C ATOM 120 O THR A 8 -24.259 -9.865 -17.496 1.00 1.00 O ATOM 121 CB THR A 8 -25.875 -12.768 -17.611 1.00 1.00 C ATOM 122 OG1 THR A 8 -24.780 -13.658 -17.789 1.00 1.00 O ATOM 123 CG2 THR A 8 -26.213 -12.103 -18.948 1.00 1.00 C ATOM 0 H THR A 8 -26.545 -9.948 -17.080 1.00 1.00 H new ATOM 0 HA THR A 8 -25.335 -12.189 -15.615 1.00 1.00 H new ATOM 0 HB THR A 8 -26.745 -13.321 -17.257 1.00 1.00 H new ATOM 0 HG1 THR A 8 -25.018 -14.341 -18.450 1.00 1.00 H new ATOM 0 HG21 THR A 8 -26.478 -12.868 -19.678 1.00 1.00 H new ATOM 0 HG22 THR A 8 -27.054 -11.423 -18.814 1.00 1.00 H new ATOM 0 HG23 THR A 8 -25.348 -11.544 -19.305 1.00 1.00 H new ATOM 131 N ARG A 9 -23.081 -11.643 -16.786 1.00 1.00 N ATOM 132 CA ARG A 9 -21.796 -11.048 -17.137 1.00 1.00 C ATOM 133 C ARG A 9 -21.610 -9.747 -16.358 1.00 1.00 C ATOM 134 O ARG A 9 -22.579 -9.192 -15.845 1.00 1.00 O ATOM 135 CB ARG A 9 -21.737 -10.764 -18.642 1.00 1.00 C ATOM 136 CG ARG A 9 -20.287 -10.508 -19.071 1.00 1.00 C ATOM 137 CD ARG A 9 -20.236 -10.257 -20.579 1.00 1.00 C ATOM 138 NE ARG A 9 -20.587 -11.472 -21.304 1.00 1.00 N ATOM 139 CZ ARG A 9 -20.660 -11.489 -22.632 1.00 1.00 C ATOM 140 NH1 ARG A 9 -20.415 -10.401 -23.314 1.00 1.00 N ATOM 141 NH2 ARG A 9 -20.976 -12.592 -23.252 1.00 1.00 N ATOM 0 H ARG A 9 -23.021 -12.575 -16.375 1.00 1.00 H new ATOM 0 HA ARG A 9 -20.998 -11.745 -16.881 1.00 1.00 H new ATOM 0 HB2 ARG A 9 -22.145 -11.609 -19.196 1.00 1.00 H new ATOM 0 HB3 ARG A 9 -22.354 -9.898 -18.882 1.00 1.00 H new ATOM 0 HG2 ARG A 9 -19.885 -9.648 -18.535 1.00 1.00 H new ATOM 0 HG3 ARG A 9 -19.664 -11.364 -18.813 1.00 1.00 H new ATOM 0 HD2 ARG A 9 -20.924 -9.455 -20.845 1.00 1.00 H new ATOM 0 HD3 ARG A 9 -19.237 -9.929 -20.867 1.00 1.00 H new ATOM 0 HE ARG A 9 -20.781 -12.327 -20.782 1.00 1.00 H new ATOM 0 HH11 ARG A 9 -20.168 -9.539 -22.828 1.00 1.00 H new ATOM 0 HH12 ARG A 9 -20.471 -10.414 -24.332 1.00 1.00 H new ATOM 0 HH21 ARG A 9 -21.167 -13.440 -22.719 1.00 1.00 H new ATOM 0 HH22 ARG A 9 -21.032 -12.606 -24.270 1.00 1.00 H new ATOM 155 N LYS A 10 -20.364 -9.288 -16.264 1.00 1.00 N ATOM 156 CA LYS A 10 -20.032 -8.063 -15.533 1.00 1.00 C ATOM 157 C LYS A 10 -20.240 -8.274 -14.034 1.00 1.00 C ATOM 158 O LYS A 10 -19.452 -7.797 -13.221 1.00 1.00 O ATOM 159 CB LYS A 10 -20.864 -6.870 -16.030 1.00 1.00 C ATOM 160 CG LYS A 10 -20.655 -6.701 -17.541 1.00 1.00 C ATOM 161 CD LYS A 10 -21.536 -5.564 -18.076 1.00 1.00 C ATOM 162 CE LYS A 10 -20.918 -4.201 -17.737 1.00 1.00 C ATOM 163 NZ LYS A 10 -21.635 -3.131 -18.487 1.00 1.00 N ATOM 0 H LYS A 10 -19.560 -9.750 -16.689 1.00 1.00 H new ATOM 0 HA LYS A 10 -18.983 -7.833 -15.717 1.00 1.00 H new ATOM 0 HB2 LYS A 10 -21.920 -7.033 -15.813 1.00 1.00 H new ATOM 0 HB3 LYS A 10 -20.567 -5.961 -15.506 1.00 1.00 H new ATOM 0 HG2 LYS A 10 -19.607 -6.486 -17.748 1.00 1.00 H new ATOM 0 HG3 LYS A 10 -20.898 -7.631 -18.055 1.00 1.00 H new ATOM 0 HD2 LYS A 10 -21.649 -5.660 -19.156 1.00 1.00 H new ATOM 0 HD3 LYS A 10 -22.534 -5.635 -17.644 1.00 1.00 H new ATOM 0 HE2 LYS A 10 -20.985 -4.016 -16.665 1.00 1.00 H new ATOM 0 HE3 LYS A 10 -19.859 -4.195 -17.996 1.00 1.00 H new ATOM 0 HZ1 LYS A 10 -21.217 -2.207 -18.258 1.00 1.00 H new ATOM 0 HZ2 LYS A 10 -21.549 -3.306 -19.509 1.00 1.00 H new ATOM 0 HZ3 LYS A 10 -22.640 -3.133 -18.219 1.00 1.00 H new ATOM 177 N ASP A 11 -21.291 -9.020 -13.683 1.00 1.00 N ATOM 178 CA ASP A 11 -21.593 -9.332 -12.284 1.00 1.00 C ATOM 179 C ASP A 11 -21.217 -8.180 -11.351 1.00 1.00 C ATOM 180 O ASP A 11 -22.042 -7.319 -11.048 1.00 1.00 O ATOM 181 CB ASP A 11 -20.828 -10.597 -11.876 1.00 1.00 C ATOM 182 CG ASP A 11 -19.433 -10.573 -12.490 1.00 1.00 C ATOM 183 OD1 ASP A 11 -19.338 -10.721 -13.696 1.00 1.00 O ATOM 184 OD2 ASP A 11 -18.483 -10.407 -11.746 1.00 1.00 O ATOM 0 H ASP A 11 -21.949 -9.420 -14.352 1.00 1.00 H new ATOM 0 HA ASP A 11 -22.668 -9.492 -12.195 1.00 1.00 H new ATOM 0 HB2 ASP A 11 -20.757 -10.657 -10.790 1.00 1.00 H new ATOM 0 HB3 ASP A 11 -21.368 -11.484 -12.209 1.00 1.00 H new ATOM 189 N LEU A 12 -19.968 -8.180 -10.893 1.00 1.00 N ATOM 190 CA LEU A 12 -19.494 -7.138 -9.986 1.00 1.00 C ATOM 191 C LEU A 12 -19.032 -5.904 -10.775 1.00 1.00 C ATOM 192 O LEU A 12 -18.488 -6.043 -11.870 1.00 1.00 O ATOM 193 CB LEU A 12 -18.331 -7.666 -9.145 1.00 1.00 C ATOM 194 CG LEU A 12 -18.647 -9.079 -8.651 1.00 1.00 C ATOM 195 CD1 LEU A 12 -17.548 -9.534 -7.688 1.00 1.00 C ATOM 196 CD2 LEU A 12 -19.997 -9.085 -7.925 1.00 1.00 C ATOM 0 H LEU A 12 -19.270 -8.884 -11.133 1.00 1.00 H new ATOM 0 HA LEU A 12 -20.318 -6.853 -9.332 1.00 1.00 H new ATOM 0 HB2 LEU A 12 -17.416 -7.674 -9.738 1.00 1.00 H new ATOM 0 HB3 LEU A 12 -18.155 -7.005 -8.296 1.00 1.00 H new ATOM 0 HG LEU A 12 -18.695 -9.758 -9.502 1.00 1.00 H new ATOM 0 HD11 LEU A 12 -17.769 -10.541 -7.333 1.00 1.00 H new ATOM 0 HD12 LEU A 12 -16.588 -9.534 -8.205 1.00 1.00 H new ATOM 0 HD13 LEU A 12 -17.503 -8.852 -6.839 1.00 1.00 H new ATOM 0 HD21 LEU A 12 -20.217 -10.094 -7.575 1.00 1.00 H new ATOM 0 HD22 LEU A 12 -19.955 -8.406 -7.073 1.00 1.00 H new ATOM 0 HD23 LEU A 12 -20.780 -8.759 -8.610 1.00 1.00 H new ATOM 208 N PRO A 13 -19.230 -4.710 -10.253 1.00 1.00 N ATOM 209 CA PRO A 13 -18.807 -3.463 -10.953 1.00 1.00 C ATOM 210 C PRO A 13 -17.418 -3.605 -11.596 1.00 1.00 C ATOM 211 O PRO A 13 -16.608 -4.421 -11.156 1.00 1.00 O ATOM 212 CB PRO A 13 -18.793 -2.402 -9.841 1.00 1.00 C ATOM 213 CG PRO A 13 -19.751 -2.890 -8.792 1.00 1.00 C ATOM 214 CD PRO A 13 -19.876 -4.417 -8.957 1.00 1.00 C ATOM 0 HA PRO A 13 -19.475 -3.210 -11.776 1.00 1.00 H new ATOM 0 HB2 PRO A 13 -17.791 -2.282 -9.429 1.00 1.00 H new ATOM 0 HB3 PRO A 13 -19.098 -1.429 -10.226 1.00 1.00 H new ATOM 0 HG2 PRO A 13 -19.388 -2.640 -7.795 1.00 1.00 H new ATOM 0 HG3 PRO A 13 -20.723 -2.411 -8.907 1.00 1.00 H new ATOM 0 HD2 PRO A 13 -19.383 -4.945 -8.141 1.00 1.00 H new ATOM 0 HD3 PRO A 13 -20.920 -4.731 -8.955 1.00 1.00 H new ATOM 222 N PRO A 14 -17.129 -2.830 -12.616 1.00 1.00 N ATOM 223 CA PRO A 14 -15.807 -2.871 -13.316 1.00 1.00 C ATOM 224 C PRO A 14 -14.689 -2.277 -12.458 1.00 1.00 C ATOM 225 O PRO A 14 -13.507 -2.458 -12.748 1.00 1.00 O ATOM 226 CB PRO A 14 -16.046 -2.043 -14.583 1.00 1.00 C ATOM 227 CG PRO A 14 -17.127 -1.082 -14.208 1.00 1.00 C ATOM 228 CD PRO A 14 -18.024 -1.824 -13.215 1.00 1.00 C ATOM 0 HA PRO A 14 -15.479 -3.888 -13.531 1.00 1.00 H new ATOM 0 HB2 PRO A 14 -15.141 -1.520 -14.891 1.00 1.00 H new ATOM 0 HB3 PRO A 14 -16.349 -2.675 -15.418 1.00 1.00 H new ATOM 0 HG2 PRO A 14 -16.710 -0.181 -13.759 1.00 1.00 H new ATOM 0 HG3 PRO A 14 -17.692 -0.768 -15.086 1.00 1.00 H new ATOM 0 HD2 PRO A 14 -18.429 -1.149 -12.461 1.00 1.00 H new ATOM 0 HD3 PRO A 14 -18.873 -2.291 -13.714 1.00 1.00 H new ATOM 236 N GLU A 15 -15.074 -1.569 -11.402 1.00 1.00 N ATOM 237 CA GLU A 15 -14.098 -0.952 -10.511 1.00 1.00 C ATOM 238 C GLU A 15 -13.180 -2.017 -9.923 1.00 1.00 C ATOM 239 O GLU A 15 -11.981 -1.793 -9.746 1.00 1.00 O ATOM 240 CB GLU A 15 -14.826 -0.216 -9.380 1.00 1.00 C ATOM 241 CG GLU A 15 -13.856 0.710 -8.639 1.00 1.00 C ATOM 242 CD GLU A 15 -12.886 -0.112 -7.798 1.00 1.00 C ATOM 243 OE1 GLU A 15 -13.292 -1.154 -7.307 1.00 1.00 O ATOM 244 OE2 GLU A 15 -11.754 0.314 -7.651 1.00 1.00 O ATOM 0 H GLU A 15 -16.047 -1.409 -11.143 1.00 1.00 H new ATOM 0 HA GLU A 15 -13.498 -0.241 -11.079 1.00 1.00 H new ATOM 0 HB2 GLU A 15 -15.654 0.364 -9.788 1.00 1.00 H new ATOM 0 HB3 GLU A 15 -15.255 -0.937 -8.684 1.00 1.00 H new ATOM 0 HG2 GLU A 15 -13.303 1.318 -9.355 1.00 1.00 H new ATOM 0 HG3 GLU A 15 -14.412 1.396 -8.000 1.00 1.00 H new ATOM 251 N ALA A 16 -13.752 -3.177 -9.631 1.00 1.00 N ATOM 252 CA ALA A 16 -12.989 -4.281 -9.076 1.00 1.00 C ATOM 253 C ALA A 16 -12.048 -4.851 -10.126 1.00 1.00 C ATOM 254 O ALA A 16 -10.909 -5.207 -9.828 1.00 1.00 O ATOM 255 CB ALA A 16 -13.938 -5.373 -8.583 1.00 1.00 C ATOM 0 H ALA A 16 -14.743 -3.376 -9.770 1.00 1.00 H new ATOM 0 HA ALA A 16 -12.399 -3.913 -8.237 1.00 1.00 H new ATOM 0 HB1 ALA A 16 -13.359 -6.198 -8.168 1.00 1.00 H new ATOM 0 HB2 ALA A 16 -14.593 -4.966 -7.813 1.00 1.00 H new ATOM 0 HB3 ALA A 16 -14.540 -5.735 -9.416 1.00 1.00 H new ATOM 261 N LEU A 17 -12.532 -4.928 -11.360 1.00 1.00 N ATOM 262 CA LEU A 17 -11.716 -5.446 -12.448 1.00 1.00 C ATOM 263 C LEU A 17 -10.513 -4.541 -12.663 1.00 1.00 C ATOM 264 O LEU A 17 -9.384 -5.009 -12.802 1.00 1.00 O ATOM 265 CB LEU A 17 -12.549 -5.529 -13.729 1.00 1.00 C ATOM 266 CG LEU A 17 -11.699 -6.069 -14.888 1.00 1.00 C ATOM 267 CD1 LEU A 17 -11.223 -7.497 -14.575 1.00 1.00 C ATOM 268 CD2 LEU A 17 -12.550 -6.069 -16.161 1.00 1.00 C ATOM 0 H LEU A 17 -13.473 -4.642 -11.629 1.00 1.00 H new ATOM 0 HA LEU A 17 -11.366 -6.446 -12.191 1.00 1.00 H new ATOM 0 HB2 LEU A 17 -13.410 -6.178 -13.569 1.00 1.00 H new ATOM 0 HB3 LEU A 17 -12.936 -4.542 -13.983 1.00 1.00 H new ATOM 0 HG LEU A 17 -10.822 -5.436 -15.027 1.00 1.00 H new ATOM 0 HD11 LEU A 17 -10.621 -7.870 -15.404 1.00 1.00 H new ATOM 0 HD12 LEU A 17 -10.623 -7.489 -13.665 1.00 1.00 H new ATOM 0 HD13 LEU A 17 -12.087 -8.146 -14.434 1.00 1.00 H new ATOM 0 HD21 LEU A 17 -11.959 -6.450 -16.994 1.00 1.00 H new ATOM 0 HD22 LEU A 17 -13.423 -6.705 -16.015 1.00 1.00 H new ATOM 0 HD23 LEU A 17 -12.874 -5.052 -16.382 1.00 1.00 H new ATOM 280 N ARG A 18 -10.766 -3.240 -12.688 1.00 1.00 N ATOM 281 CA ARG A 18 -9.698 -2.272 -12.878 1.00 1.00 C ATOM 282 C ARG A 18 -8.740 -2.325 -11.695 1.00 1.00 C ATOM 283 O ARG A 18 -7.531 -2.165 -11.853 1.00 1.00 O ATOM 284 CB ARG A 18 -10.266 -0.857 -13.009 1.00 1.00 C ATOM 285 CG ARG A 18 -9.153 0.113 -13.461 1.00 1.00 C ATOM 286 CD ARG A 18 -9.450 1.523 -12.944 1.00 1.00 C ATOM 287 NE ARG A 18 -8.502 2.476 -13.512 1.00 1.00 N ATOM 288 CZ ARG A 18 -8.324 3.680 -12.974 1.00 1.00 C ATOM 289 NH1 ARG A 18 -9.006 4.034 -11.918 1.00 1.00 N ATOM 290 NH2 ARG A 18 -7.466 4.509 -13.510 1.00 1.00 N ATOM 0 H ARG A 18 -11.695 -2.834 -12.580 1.00 1.00 H new ATOM 0 HA ARG A 18 -9.166 -2.522 -13.796 1.00 1.00 H new ATOM 0 HB2 ARG A 18 -11.083 -0.849 -13.730 1.00 1.00 H new ATOM 0 HB3 ARG A 18 -10.680 -0.531 -12.055 1.00 1.00 H new ATOM 0 HG2 ARG A 18 -8.188 -0.226 -13.085 1.00 1.00 H new ATOM 0 HG3 ARG A 18 -9.086 0.122 -14.549 1.00 1.00 H new ATOM 0 HD2 ARG A 18 -10.468 1.809 -13.209 1.00 1.00 H new ATOM 0 HD3 ARG A 18 -9.387 1.540 -11.856 1.00 1.00 H new ATOM 0 HE ARG A 18 -7.965 2.214 -14.338 1.00 1.00 H new ATOM 0 HH11 ARG A 18 -9.677 3.387 -11.504 1.00 1.00 H new ATOM 0 HH12 ARG A 18 -8.868 4.957 -11.508 1.00 1.00 H new ATOM 0 HH21 ARG A 18 -6.937 4.232 -14.337 1.00 1.00 H new ATOM 0 HH22 ARG A 18 -7.326 5.433 -13.101 1.00 1.00 H new ATOM 304 N ALA A 19 -9.293 -2.547 -10.507 1.00 1.00 N ATOM 305 CA ALA A 19 -8.473 -2.613 -9.303 1.00 1.00 C ATOM 306 C ALA A 19 -7.319 -3.578 -9.532 1.00 1.00 C ATOM 307 O ALA A 19 -6.199 -3.347 -9.078 1.00 1.00 O ATOM 308 CB ALA A 19 -9.318 -3.089 -8.120 1.00 1.00 C ATOM 0 H ALA A 19 -10.292 -2.683 -10.353 1.00 1.00 H new ATOM 0 HA ALA A 19 -8.080 -1.621 -9.079 1.00 1.00 H new ATOM 0 HB1 ALA A 19 -8.698 -3.135 -7.225 1.00 1.00 H new ATOM 0 HB2 ALA A 19 -10.140 -2.392 -7.956 1.00 1.00 H new ATOM 0 HB3 ALA A 19 -9.720 -4.079 -8.335 1.00 1.00 H new ATOM 314 N LEU A 20 -7.604 -4.651 -10.257 1.00 1.00 N ATOM 315 CA LEU A 20 -6.584 -5.643 -10.567 1.00 1.00 C ATOM 316 C LEU A 20 -5.485 -4.996 -11.403 1.00 1.00 C ATOM 317 O LEU A 20 -4.299 -5.254 -11.195 1.00 1.00 O ATOM 318 CB LEU A 20 -7.204 -6.820 -11.335 1.00 1.00 C ATOM 319 CG LEU A 20 -6.133 -7.871 -11.677 1.00 1.00 C ATOM 320 CD1 LEU A 20 -5.479 -8.407 -10.393 1.00 1.00 C ATOM 321 CD2 LEU A 20 -6.797 -9.024 -12.442 1.00 1.00 C ATOM 0 H LEU A 20 -8.527 -4.856 -10.639 1.00 1.00 H new ATOM 0 HA LEU A 20 -6.157 -6.020 -9.638 1.00 1.00 H new ATOM 0 HB2 LEU A 20 -7.991 -7.277 -10.736 1.00 1.00 H new ATOM 0 HB3 LEU A 20 -7.671 -6.458 -12.251 1.00 1.00 H new ATOM 0 HG LEU A 20 -5.359 -7.412 -12.292 1.00 1.00 H new ATOM 0 HD11 LEU A 20 -4.724 -9.149 -10.652 1.00 1.00 H new ATOM 0 HD12 LEU A 20 -5.009 -7.585 -9.853 1.00 1.00 H new ATOM 0 HD13 LEU A 20 -6.239 -8.868 -9.762 1.00 1.00 H new ATOM 0 HD21 LEU A 20 -6.047 -9.775 -12.690 1.00 1.00 H new ATOM 0 HD22 LEU A 20 -7.571 -9.475 -11.821 1.00 1.00 H new ATOM 0 HD23 LEU A 20 -7.245 -8.642 -13.359 1.00 1.00 H new ATOM 333 N ALA A 21 -5.892 -4.149 -12.346 1.00 1.00 N ATOM 334 CA ALA A 21 -4.940 -3.462 -13.208 1.00 1.00 C ATOM 335 C ALA A 21 -4.087 -2.484 -12.402 1.00 1.00 C ATOM 336 O ALA A 21 -2.894 -2.332 -12.662 1.00 1.00 O ATOM 337 CB ALA A 21 -5.681 -2.717 -14.319 1.00 1.00 C ATOM 0 H ALA A 21 -6.870 -3.924 -12.530 1.00 1.00 H new ATOM 0 HA ALA A 21 -4.281 -4.207 -13.654 1.00 1.00 H new ATOM 0 HB1 ALA A 21 -4.960 -2.207 -14.958 1.00 1.00 H new ATOM 0 HB2 ALA A 21 -6.254 -3.428 -14.914 1.00 1.00 H new ATOM 0 HB3 ALA A 21 -6.357 -1.985 -13.878 1.00 1.00 H new ATOM 343 N GLU A 22 -4.698 -1.828 -11.416 1.00 1.00 N ATOM 344 CA GLU A 22 -3.964 -0.881 -10.584 1.00 1.00 C ATOM 345 C GLU A 22 -2.903 -1.625 -9.781 1.00 1.00 C ATOM 346 O GLU A 22 -1.760 -1.179 -9.678 1.00 1.00 O ATOM 347 CB GLU A 22 -4.924 -0.151 -9.633 1.00 1.00 C ATOM 348 CG GLU A 22 -4.154 0.897 -8.823 1.00 1.00 C ATOM 349 CD GLU A 22 -5.102 1.628 -7.879 1.00 1.00 C ATOM 350 OE1 GLU A 22 -5.416 1.070 -6.840 1.00 1.00 O ATOM 351 OE2 GLU A 22 -5.497 2.735 -8.205 1.00 1.00 O ATOM 0 H GLU A 22 -5.684 -1.933 -11.178 1.00 1.00 H new ATOM 0 HA GLU A 22 -3.482 -0.143 -11.226 1.00 1.00 H new ATOM 0 HB2 GLU A 22 -5.720 0.329 -10.203 1.00 1.00 H new ATOM 0 HB3 GLU A 22 -5.399 -0.866 -8.961 1.00 1.00 H new ATOM 0 HG2 GLU A 22 -3.360 0.416 -8.253 1.00 1.00 H new ATOM 0 HG3 GLU A 22 -3.677 1.610 -9.496 1.00 1.00 H new ATOM 358 N ALA A 23 -3.287 -2.771 -9.231 1.00 1.00 N ATOM 359 CA ALA A 23 -2.360 -3.587 -8.458 1.00 1.00 C ATOM 360 C ALA A 23 -1.265 -4.132 -9.370 1.00 1.00 C ATOM 361 O ALA A 23 -0.173 -4.472 -8.915 1.00 1.00 O ATOM 362 CB ALA A 23 -3.106 -4.747 -7.797 1.00 1.00 C ATOM 0 H ALA A 23 -4.229 -3.154 -9.306 1.00 1.00 H new ATOM 0 HA ALA A 23 -1.908 -2.968 -7.683 1.00 1.00 H new ATOM 0 HB1 ALA A 23 -2.404 -5.351 -7.222 1.00 1.00 H new ATOM 0 HB2 ALA A 23 -3.875 -4.353 -7.133 1.00 1.00 H new ATOM 0 HB3 ALA A 23 -3.571 -5.365 -8.565 1.00 1.00 H new ATOM 368 N GLU A 24 -1.570 -4.213 -10.662 1.00 1.00 N ATOM 369 CA GLU A 24 -0.610 -4.713 -11.640 1.00 1.00 C ATOM 370 C GLU A 24 0.563 -3.742 -11.783 1.00 1.00 C ATOM 371 O GLU A 24 1.723 -4.131 -11.651 1.00 1.00 O ATOM 372 CB GLU A 24 -1.309 -4.892 -12.996 1.00 1.00 C ATOM 373 CG GLU A 24 -0.505 -5.842 -13.888 1.00 1.00 C ATOM 374 CD GLU A 24 0.820 -5.195 -14.274 1.00 1.00 C ATOM 375 OE1 GLU A 24 0.850 -3.982 -14.396 1.00 1.00 O ATOM 376 OE2 GLU A 24 1.787 -5.921 -14.436 1.00 1.00 O ATOM 0 H GLU A 24 -2.471 -3.940 -11.055 1.00 1.00 H new ATOM 0 HA GLU A 24 -0.224 -5.673 -11.299 1.00 1.00 H new ATOM 0 HB2 GLU A 24 -2.314 -5.287 -12.845 1.00 1.00 H new ATOM 0 HB3 GLU A 24 -1.417 -3.925 -13.487 1.00 1.00 H new ATOM 0 HG2 GLU A 24 -0.322 -6.780 -13.364 1.00 1.00 H new ATOM 0 HG3 GLU A 24 -1.076 -6.084 -14.784 1.00 1.00 H new ATOM 383 N GLU A 25 0.249 -2.474 -12.047 1.00 1.00 N ATOM 384 CA GLU A 25 1.285 -1.453 -12.195 1.00 1.00 C ATOM 385 C GLU A 25 1.937 -1.160 -10.848 1.00 1.00 C ATOM 386 O GLU A 25 3.140 -0.907 -10.765 1.00 1.00 O ATOM 387 CB GLU A 25 0.682 -0.166 -12.770 1.00 1.00 C ATOM 388 CG GLU A 25 -0.499 0.286 -11.909 1.00 1.00 C ATOM 389 CD GLU A 25 -1.126 1.543 -12.506 1.00 1.00 C ATOM 390 OE1 GLU A 25 -1.234 1.609 -13.719 1.00 1.00 O ATOM 391 OE2 GLU A 25 -1.485 2.420 -11.738 1.00 1.00 O ATOM 0 H GLU A 25 -0.705 -2.132 -12.162 1.00 1.00 H new ATOM 0 HA GLU A 25 2.044 -1.828 -12.881 1.00 1.00 H new ATOM 0 HB2 GLU A 25 1.439 0.617 -12.804 1.00 1.00 H new ATOM 0 HB3 GLU A 25 0.352 -0.335 -13.795 1.00 1.00 H new ATOM 0 HG2 GLU A 25 -1.242 -0.509 -11.850 1.00 1.00 H new ATOM 0 HG3 GLU A 25 -0.163 0.485 -10.891 1.00 1.00 H new ATOM 398 N ARG A 26 1.124 -1.199 -9.798 1.00 1.00 N ATOM 399 CA ARG A 26 1.594 -0.941 -8.438 1.00 1.00 C ATOM 400 C ARG A 26 2.657 0.167 -8.410 1.00 1.00 C ATOM 401 O ARG A 26 2.374 1.313 -8.757 1.00 1.00 O ATOM 402 CB ARG A 26 2.147 -2.240 -7.834 1.00 1.00 C ATOM 403 CG ARG A 26 2.296 -2.075 -6.320 1.00 1.00 C ATOM 404 CD ARG A 26 2.716 -3.399 -5.687 1.00 1.00 C ATOM 405 NE ARG A 26 2.676 -3.274 -4.235 1.00 1.00 N ATOM 406 CZ ARG A 26 3.017 -4.284 -3.446 1.00 1.00 C ATOM 407 NH1 ARG A 26 3.404 -5.417 -3.965 1.00 1.00 N ATOM 408 NH2 ARG A 26 2.965 -4.142 -2.150 1.00 1.00 N ATOM 0 H ARG A 26 0.128 -1.408 -9.862 1.00 1.00 H new ATOM 0 HA ARG A 26 0.751 -0.594 -7.840 1.00 1.00 H new ATOM 0 HB2 ARG A 26 1.477 -3.071 -8.056 1.00 1.00 H new ATOM 0 HB3 ARG A 26 3.112 -2.480 -8.281 1.00 1.00 H new ATOM 0 HG2 ARG A 26 3.038 -1.307 -6.101 1.00 1.00 H new ATOM 0 HG3 ARG A 26 1.353 -1.740 -5.888 1.00 1.00 H new ATOM 0 HD2 ARG A 26 2.050 -4.198 -6.013 1.00 1.00 H new ATOM 0 HD3 ARG A 26 3.721 -3.668 -6.013 1.00 1.00 H new ATOM 0 HE ARG A 26 2.380 -2.392 -3.817 1.00 1.00 H new ATOM 0 HH11 ARG A 26 3.444 -5.526 -4.978 1.00 1.00 H new ATOM 0 HH12 ARG A 26 3.666 -6.193 -3.357 1.00 1.00 H new ATOM 0 HH21 ARG A 26 2.663 -3.256 -1.746 1.00 1.00 H new ATOM 0 HH22 ARG A 26 3.227 -4.917 -1.541 1.00 1.00 H new ATOM 422 N ARG A 27 3.872 -0.178 -7.987 1.00 1.00 N ATOM 423 CA ARG A 27 4.964 0.792 -7.911 1.00 1.00 C ATOM 424 C ARG A 27 6.256 0.109 -7.468 1.00 1.00 C ATOM 425 O ARG A 27 7.033 0.668 -6.694 1.00 1.00 O ATOM 426 CB ARG A 27 4.618 1.931 -6.939 1.00 1.00 C ATOM 427 CG ARG A 27 4.178 1.370 -5.583 1.00 1.00 C ATOM 428 CD ARG A 27 4.075 2.517 -4.574 1.00 1.00 C ATOM 429 NE ARG A 27 3.049 3.467 -4.997 1.00 1.00 N ATOM 430 CZ ARG A 27 1.768 3.291 -4.686 1.00 1.00 C ATOM 431 NH1 ARG A 27 1.405 2.260 -3.970 1.00 1.00 N ATOM 432 NH2 ARG A 27 0.873 4.150 -5.097 1.00 1.00 N ATOM 0 H ARG A 27 4.125 -1.121 -7.692 1.00 1.00 H new ATOM 0 HA ARG A 27 5.108 1.214 -8.906 1.00 1.00 H new ATOM 0 HB2 ARG A 27 5.485 2.579 -6.806 1.00 1.00 H new ATOM 0 HB3 ARG A 27 3.822 2.546 -7.360 1.00 1.00 H new ATOM 0 HG2 ARG A 27 3.216 0.867 -5.679 1.00 1.00 H new ATOM 0 HG3 ARG A 27 4.894 0.626 -5.234 1.00 1.00 H new ATOM 0 HD2 ARG A 27 3.832 2.123 -3.587 1.00 1.00 H new ATOM 0 HD3 ARG A 27 5.037 3.023 -4.487 1.00 1.00 H new ATOM 0 HE ARG A 27 3.321 4.284 -5.543 1.00 1.00 H new ATOM 0 HH11 ARG A 27 2.104 1.590 -3.650 1.00 1.00 H new ATOM 0 HH12 ARG A 27 0.422 2.125 -3.732 1.00 1.00 H new ATOM 0 HH21 ARG A 27 1.157 4.955 -5.656 1.00 1.00 H new ATOM 0 HH22 ARG A 27 -0.110 4.016 -4.859 1.00 1.00 H new ATOM 446 N ARG A 28 6.476 -1.105 -7.967 1.00 1.00 N ATOM 447 CA ARG A 28 7.674 -1.863 -7.622 1.00 1.00 C ATOM 448 C ARG A 28 8.928 -1.188 -8.180 1.00 1.00 C ATOM 449 O ARG A 28 9.969 -1.157 -7.523 1.00 1.00 O ATOM 450 CB ARG A 28 7.568 -3.285 -8.178 1.00 1.00 C ATOM 451 CG ARG A 28 6.514 -4.062 -7.383 1.00 1.00 C ATOM 452 CD ARG A 28 6.331 -5.454 -7.990 1.00 1.00 C ATOM 453 NE ARG A 28 7.576 -6.212 -7.900 1.00 1.00 N ATOM 454 CZ ARG A 28 7.889 -6.901 -6.804 1.00 1.00 C ATOM 455 NH1 ARG A 28 7.077 -6.909 -5.783 1.00 1.00 N ATOM 456 NH2 ARG A 28 9.010 -7.570 -6.755 1.00 1.00 N ATOM 0 H ARG A 28 5.843 -1.582 -8.609 1.00 1.00 H new ATOM 0 HA ARG A 28 7.753 -1.899 -6.535 1.00 1.00 H new ATOM 0 HB2 ARG A 28 7.296 -3.256 -9.233 1.00 1.00 H new ATOM 0 HB3 ARG A 28 8.533 -3.787 -8.111 1.00 1.00 H new ATOM 0 HG2 ARG A 28 6.821 -4.147 -6.341 1.00 1.00 H new ATOM 0 HG3 ARG A 28 5.567 -3.523 -7.393 1.00 1.00 H new ATOM 0 HD2 ARG A 28 5.535 -5.985 -7.467 1.00 1.00 H new ATOM 0 HD3 ARG A 28 6.025 -5.367 -9.032 1.00 1.00 H new ATOM 0 HE ARG A 28 8.219 -6.214 -8.692 1.00 1.00 H new ATOM 0 HH11 ARG A 28 6.201 -6.387 -5.824 1.00 1.00 H new ATOM 0 HH12 ARG A 28 7.318 -7.437 -4.944 1.00 1.00 H new ATOM 0 HH21 ARG A 28 9.643 -7.564 -7.555 1.00 1.00 H new ATOM 0 HH22 ARG A 28 9.252 -8.099 -5.917 1.00 1.00 H new ATOM 470 N ARG A 29 8.821 -0.652 -9.392 1.00 1.00 N ATOM 471 CA ARG A 29 9.955 0.016 -10.030 1.00 1.00 C ATOM 472 C ARG A 29 10.378 1.248 -9.231 1.00 1.00 C ATOM 473 O ARG A 29 11.569 1.518 -9.071 1.00 1.00 O ATOM 474 CB ARG A 29 9.574 0.435 -11.456 1.00 1.00 C ATOM 475 CG ARG A 29 9.460 -0.810 -12.342 1.00 1.00 C ATOM 476 CD ARG A 29 9.009 -0.416 -13.755 1.00 1.00 C ATOM 477 NE ARG A 29 8.926 -1.605 -14.599 1.00 1.00 N ATOM 478 CZ ARG A 29 8.417 -1.556 -15.829 1.00 1.00 C ATOM 479 NH1 ARG A 29 7.987 -0.425 -16.320 1.00 1.00 N ATOM 480 NH2 ARG A 29 8.353 -2.647 -16.546 1.00 1.00 N ATOM 0 H ARG A 29 7.968 -0.666 -9.951 1.00 1.00 H new ATOM 0 HA ARG A 29 10.792 -0.682 -10.063 1.00 1.00 H new ATOM 0 HB2 ARG A 29 8.628 0.976 -11.447 1.00 1.00 H new ATOM 0 HB3 ARG A 29 10.325 1.114 -11.860 1.00 1.00 H new ATOM 0 HG2 ARG A 29 10.422 -1.321 -12.389 1.00 1.00 H new ATOM 0 HG3 ARG A 29 8.747 -1.511 -11.907 1.00 1.00 H new ATOM 0 HD2 ARG A 29 8.039 0.079 -13.712 1.00 1.00 H new ATOM 0 HD3 ARG A 29 9.712 0.298 -14.185 1.00 1.00 H new ATOM 0 HE ARG A 29 9.267 -2.496 -14.237 1.00 1.00 H new ATOM 0 HH11 ARG A 29 8.040 0.427 -15.761 1.00 1.00 H new ATOM 0 HH12 ARG A 29 7.598 -0.393 -17.262 1.00 1.00 H new ATOM 0 HH21 ARG A 29 8.692 -3.530 -16.163 1.00 1.00 H new ATOM 0 HH22 ARG A 29 7.964 -2.616 -17.489 1.00 1.00 H new ATOM 494 N ALA A 30 9.394 1.987 -8.733 1.00 1.00 N ATOM 495 CA ALA A 30 9.660 3.191 -7.953 1.00 1.00 C ATOM 496 C ALA A 30 10.298 2.838 -6.613 1.00 1.00 C ATOM 497 O ALA A 30 11.161 3.562 -6.114 1.00 1.00 O ATOM 498 CB ALA A 30 8.359 3.957 -7.722 1.00 1.00 C ATOM 0 H ALA A 30 8.404 1.774 -8.855 1.00 1.00 H new ATOM 0 HA ALA A 30 10.355 3.818 -8.512 1.00 1.00 H new ATOM 0 HB1 ALA A 30 8.564 4.855 -7.139 1.00 1.00 H new ATOM 0 HB2 ALA A 30 7.927 4.239 -8.682 1.00 1.00 H new ATOM 0 HB3 ALA A 30 7.656 3.325 -7.179 1.00 1.00 H new ATOM 504 N LYS A 31 9.866 1.726 -6.035 1.00 1.00 N ATOM 505 CA LYS A 31 10.401 1.289 -4.752 1.00 1.00 C ATOM 506 C LYS A 31 11.887 0.957 -4.881 1.00 1.00 C ATOM 507 O LYS A 31 12.682 1.265 -3.991 1.00 1.00 O ATOM 508 CB LYS A 31 9.631 0.061 -4.260 1.00 1.00 C ATOM 509 CG LYS A 31 10.116 -0.317 -2.858 1.00 1.00 C ATOM 510 CD LYS A 31 9.356 -1.548 -2.344 1.00 1.00 C ATOM 511 CE LYS A 31 7.945 -1.159 -1.887 1.00 1.00 C ATOM 512 NZ LYS A 31 7.342 -2.293 -1.125 1.00 1.00 N ATOM 0 H LYS A 31 9.152 1.114 -6.430 1.00 1.00 H new ATOM 0 HA LYS A 31 10.286 2.097 -4.029 1.00 1.00 H new ATOM 0 HB2 LYS A 31 8.562 0.272 -4.242 1.00 1.00 H new ATOM 0 HB3 LYS A 31 9.780 -0.773 -4.945 1.00 1.00 H new ATOM 0 HG2 LYS A 31 11.186 -0.525 -2.880 1.00 1.00 H new ATOM 0 HG3 LYS A 31 9.968 0.521 -2.177 1.00 1.00 H new ATOM 0 HD2 LYS A 31 9.295 -2.299 -3.131 1.00 1.00 H new ATOM 0 HD3 LYS A 31 9.901 -1.999 -1.515 1.00 1.00 H new ATOM 0 HE2 LYS A 31 7.986 -0.267 -1.262 1.00 1.00 H new ATOM 0 HE3 LYS A 31 7.325 -0.915 -2.750 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 6.385 -2.032 -0.814 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 7.290 -3.133 -1.736 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 7.930 -2.505 -0.294 1.00 1.00 H new ATOM 526 N ALA A 32 12.252 0.323 -5.991 1.00 1.00 N ATOM 527 CA ALA A 32 13.642 -0.054 -6.235 1.00 1.00 C ATOM 528 C ALA A 32 14.375 1.054 -6.987 1.00 1.00 C ATOM 529 O ALA A 32 15.446 0.827 -7.549 1.00 1.00 O ATOM 530 CB ALA A 32 13.694 -1.345 -7.056 1.00 1.00 C ATOM 0 H ALA A 32 11.606 0.059 -6.735 1.00 1.00 H new ATOM 0 HA ALA A 32 14.130 -0.211 -5.273 1.00 1.00 H new ATOM 0 HB1 ALA A 32 14.733 -1.621 -7.235 1.00 1.00 H new ATOM 0 HB2 ALA A 32 13.195 -2.145 -6.508 1.00 1.00 H new ATOM 0 HB3 ALA A 32 13.191 -1.190 -8.010 1.00 1.00 H new ATOM 536 N LEU A 33 13.793 2.255 -6.999 1.00 1.00 N ATOM 537 CA LEU A 33 14.405 3.394 -7.691 1.00 1.00 C ATOM 538 C LEU A 33 15.122 4.300 -6.696 1.00 1.00 C ATOM 539 O LEU A 33 16.161 4.881 -7.006 1.00 1.00 O ATOM 540 CB LEU A 33 13.325 4.191 -8.439 1.00 1.00 C ATOM 541 CG LEU A 33 13.935 5.441 -9.092 1.00 1.00 C ATOM 542 CD1 LEU A 33 15.100 5.048 -10.013 1.00 1.00 C ATOM 543 CD2 LEU A 33 12.852 6.160 -9.906 1.00 1.00 C ATOM 0 H LEU A 33 12.906 2.465 -6.542 1.00 1.00 H new ATOM 0 HA LEU A 33 15.135 3.016 -8.407 1.00 1.00 H new ATOM 0 HB2 LEU A 33 12.864 3.563 -9.202 1.00 1.00 H new ATOM 0 HB3 LEU A 33 12.535 4.483 -7.747 1.00 1.00 H new ATOM 0 HG LEU A 33 14.315 6.103 -8.314 1.00 1.00 H new ATOM 0 HD11 LEU A 33 15.522 5.944 -10.468 1.00 1.00 H new ATOM 0 HD12 LEU A 33 15.869 4.540 -9.431 1.00 1.00 H new ATOM 0 HD13 LEU A 33 14.737 4.380 -10.794 1.00 1.00 H new ATOM 0 HD21 LEU A 33 13.277 7.049 -10.373 1.00 1.00 H new ATOM 0 HD22 LEU A 33 12.473 5.491 -10.678 1.00 1.00 H new ATOM 0 HD23 LEU A 33 12.035 6.452 -9.246 1.00 1.00 H new ATOM 555 N ASP A 34 14.554 4.418 -5.501 1.00 1.00 N ATOM 556 CA ASP A 34 15.139 5.255 -4.463 1.00 1.00 C ATOM 557 C ASP A 34 15.604 6.596 -5.033 1.00 1.00 C ATOM 558 O ASP A 34 16.803 6.823 -5.206 1.00 1.00 O ATOM 559 CB ASP A 34 16.325 4.536 -3.816 1.00 1.00 C ATOM 560 CG ASP A 34 15.825 3.386 -2.944 1.00 1.00 C ATOM 561 OD1 ASP A 34 14.638 3.352 -2.668 1.00 1.00 O ATOM 562 OD2 ASP A 34 16.638 2.560 -2.567 1.00 1.00 O ATOM 0 H ASP A 34 13.692 3.946 -5.229 1.00 1.00 H new ATOM 0 HA ASP A 34 14.372 5.445 -3.712 1.00 1.00 H new ATOM 0 HB2 ASP A 34 16.994 4.154 -4.587 1.00 1.00 H new ATOM 0 HB3 ASP A 34 16.901 5.237 -3.212 1.00 1.00 H new ATOM 567 N LEU A 35 14.651 7.481 -5.328 1.00 1.00 N ATOM 568 CA LEU A 35 14.985 8.795 -5.881 1.00 1.00 C ATOM 569 C LEU A 35 13.891 9.818 -5.564 1.00 1.00 C ATOM 570 O LEU A 35 13.311 10.414 -6.469 1.00 1.00 O ATOM 571 CB LEU A 35 15.155 8.681 -7.403 1.00 1.00 C ATOM 572 CG LEU A 35 15.860 9.934 -7.963 1.00 1.00 C ATOM 573 CD1 LEU A 35 17.383 9.797 -7.831 1.00 1.00 C ATOM 574 CD2 LEU A 35 15.508 10.100 -9.447 1.00 1.00 C ATOM 0 H LEU A 35 13.653 7.316 -5.196 1.00 1.00 H new ATOM 0 HA LEU A 35 15.916 9.134 -5.426 1.00 1.00 H new ATOM 0 HB2 LEU A 35 15.736 7.791 -7.644 1.00 1.00 H new ATOM 0 HB3 LEU A 35 14.180 8.563 -7.876 1.00 1.00 H new ATOM 0 HG LEU A 35 15.525 10.802 -7.396 1.00 1.00 H new ATOM 0 HD11 LEU A 35 17.865 10.689 -8.231 1.00 1.00 H new ATOM 0 HD12 LEU A 35 17.648 9.681 -6.780 1.00 1.00 H new ATOM 0 HD13 LEU A 35 17.719 8.923 -8.388 1.00 1.00 H new ATOM 0 HD21 LEU A 35 16.006 10.985 -9.842 1.00 1.00 H new ATOM 0 HD22 LEU A 35 15.838 9.221 -10.000 1.00 1.00 H new ATOM 0 HD23 LEU A 35 14.429 10.212 -9.555 1.00 1.00 H new ATOM 586 N PRO A 36 13.610 10.030 -4.303 1.00 1.00 N ATOM 587 CA PRO A 36 12.566 11.008 -3.858 1.00 1.00 C ATOM 588 C PRO A 36 12.958 12.454 -4.178 1.00 1.00 C ATOM 589 O PRO A 36 14.140 12.792 -4.236 1.00 1.00 O ATOM 590 CB PRO A 36 12.455 10.764 -2.342 1.00 1.00 C ATOM 591 CG PRO A 36 13.761 10.150 -1.944 1.00 1.00 C ATOM 592 CD PRO A 36 14.255 9.360 -3.159 1.00 1.00 C ATOM 0 HA PRO A 36 11.617 10.865 -4.374 1.00 1.00 H new ATOM 0 HB2 PRO A 36 12.279 11.696 -1.805 1.00 1.00 H new ATOM 0 HB3 PRO A 36 11.622 10.101 -2.110 1.00 1.00 H new ATOM 0 HG2 PRO A 36 14.481 10.918 -1.661 1.00 1.00 H new ATOM 0 HG3 PRO A 36 13.636 9.497 -1.081 1.00 1.00 H new ATOM 0 HD2 PRO A 36 15.342 9.389 -3.240 1.00 1.00 H new ATOM 0 HD3 PRO A 36 13.968 8.310 -3.097 1.00 1.00 H new ATOM 600 N LYS A 37 11.951 13.297 -4.395 1.00 1.00 N ATOM 601 CA LYS A 37 12.185 14.701 -4.722 1.00 1.00 C ATOM 602 C LYS A 37 12.790 15.444 -3.533 1.00 1.00 C ATOM 603 O LYS A 37 12.326 15.299 -2.403 1.00 1.00 O ATOM 604 CB LYS A 37 10.860 15.368 -5.114 1.00 1.00 C ATOM 605 CG LYS A 37 11.125 16.733 -5.775 1.00 1.00 C ATOM 606 CD LYS A 37 11.415 16.551 -7.271 1.00 1.00 C ATOM 607 CE LYS A 37 11.532 17.921 -7.936 1.00 1.00 C ATOM 608 NZ LYS A 37 12.742 18.619 -7.420 1.00 1.00 N ATOM 0 H LYS A 37 10.967 13.033 -4.350 1.00 1.00 H new ATOM 0 HA LYS A 37 12.886 14.746 -5.556 1.00 1.00 H new ATOM 0 HB2 LYS A 37 10.310 14.724 -5.800 1.00 1.00 H new ATOM 0 HB3 LYS A 37 10.235 15.499 -4.230 1.00 1.00 H new ATOM 0 HG2 LYS A 37 10.261 17.384 -5.641 1.00 1.00 H new ATOM 0 HG3 LYS A 37 11.970 17.222 -5.290 1.00 1.00 H new ATOM 0 HD2 LYS A 37 12.338 15.988 -7.408 1.00 1.00 H new ATOM 0 HD3 LYS A 37 10.618 15.974 -7.740 1.00 1.00 H new ATOM 0 HE2 LYS A 37 11.598 17.808 -9.018 1.00 1.00 H new ATOM 0 HE3 LYS A 37 10.641 18.514 -7.731 1.00 1.00 H new ATOM 0 HZ1 LYS A 37 12.455 19.475 -6.903 1.00 1.00 H new ATOM 0 HZ2 LYS A 37 13.262 17.985 -6.779 1.00 1.00 H new ATOM 0 HZ3 LYS A 37 13.355 18.885 -8.217 1.00 1.00 H new ATOM 622 N GLU A 38 13.825 16.246 -3.796 1.00 1.00 N ATOM 623 CA GLU A 38 14.487 17.016 -2.740 1.00 1.00 C ATOM 624 C GLU A 38 14.970 18.367 -3.277 1.00 1.00 C ATOM 625 O GLU A 38 14.871 19.383 -2.590 1.00 1.00 O ATOM 626 CB GLU A 38 15.672 16.230 -2.162 1.00 1.00 C ATOM 627 CG GLU A 38 15.157 15.032 -1.357 1.00 1.00 C ATOM 628 CD GLU A 38 16.325 14.219 -0.809 1.00 1.00 C ATOM 629 OE1 GLU A 38 17.455 14.625 -1.021 1.00 1.00 O ATOM 630 OE2 GLU A 38 16.069 13.203 -0.188 1.00 1.00 O ATOM 0 H GLU A 38 14.221 16.379 -4.726 1.00 1.00 H new ATOM 0 HA GLU A 38 13.761 17.194 -1.946 1.00 1.00 H new ATOM 0 HB2 GLU A 38 16.320 15.887 -2.968 1.00 1.00 H new ATOM 0 HB3 GLU A 38 16.273 16.878 -1.524 1.00 1.00 H new ATOM 0 HG2 GLU A 38 14.530 15.380 -0.536 1.00 1.00 H new ATOM 0 HG3 GLU A 38 14.532 14.402 -1.990 1.00 1.00 H new ATOM 637 N ILE A 39 15.481 18.377 -4.512 1.00 1.00 N ATOM 638 CA ILE A 39 15.966 19.618 -5.138 1.00 1.00 C ATOM 639 C ILE A 39 15.295 19.825 -6.494 1.00 1.00 C ATOM 640 O ILE A 39 15.222 18.904 -7.310 1.00 1.00 O ATOM 641 CB ILE A 39 17.487 19.561 -5.323 1.00 1.00 C ATOM 642 CG1 ILE A 39 17.983 20.900 -5.874 1.00 1.00 C ATOM 643 CG2 ILE A 39 17.852 18.445 -6.303 1.00 1.00 C ATOM 644 CD1 ILE A 39 19.511 20.944 -5.814 1.00 1.00 C ATOM 0 H ILE A 39 15.571 17.547 -5.098 1.00 1.00 H new ATOM 0 HA ILE A 39 15.716 20.453 -4.484 1.00 1.00 H new ATOM 0 HB ILE A 39 17.957 19.361 -4.360 1.00 1.00 H new ATOM 0 HG12 ILE A 39 17.645 21.029 -6.902 1.00 1.00 H new ATOM 0 HG13 ILE A 39 17.562 21.722 -5.295 1.00 1.00 H new ATOM 0 HG21 ILE A 39 18.934 18.411 -6.429 1.00 1.00 H new ATOM 0 HG22 ILE A 39 17.502 17.489 -5.913 1.00 1.00 H new ATOM 0 HG23 ILE A 39 17.380 18.638 -7.267 1.00 1.00 H new ATOM 0 HD11 ILE A 39 19.863 21.898 -6.207 1.00 1.00 H new ATOM 0 HD12 ILE A 39 19.838 20.834 -4.780 1.00 1.00 H new ATOM 0 HD13 ILE A 39 19.922 20.131 -6.413 1.00 1.00 H new ATOM 656 N GLY A 40 14.798 21.037 -6.729 1.00 1.00 N ATOM 657 CA GLY A 40 14.127 21.346 -7.989 1.00 1.00 C ATOM 658 C GLY A 40 14.011 22.856 -8.201 1.00 1.00 C ATOM 659 O GLY A 40 14.274 23.642 -7.291 1.00 1.00 O ATOM 0 H GLY A 40 14.846 21.814 -6.071 1.00 1.00 H new ATOM 0 HA2 GLY A 40 14.680 20.902 -8.817 1.00 1.00 H new ATOM 0 HA3 GLY A 40 13.133 20.899 -7.993 1.00 1.00 H new ATOM 663 N GLY A 41 13.605 23.253 -9.408 1.00 1.00 N ATOM 664 CA GLY A 41 13.448 24.672 -9.730 1.00 1.00 C ATOM 665 C GLY A 41 14.788 25.324 -10.066 1.00 1.00 C ATOM 666 O GLY A 41 15.032 26.476 -9.708 1.00 1.00 O ATOM 0 H GLY A 41 13.380 22.617 -10.173 1.00 1.00 H new ATOM 0 HA2 GLY A 41 12.768 24.781 -10.575 1.00 1.00 H new ATOM 0 HA3 GLY A 41 12.993 25.189 -8.885 1.00 1.00 H new ATOM 670 N ARG A 42 15.656 24.584 -10.750 1.00 1.00 N ATOM 671 CA ARG A 42 16.974 25.104 -11.120 1.00 1.00 C ATOM 672 C ARG A 42 16.851 26.314 -12.046 1.00 1.00 C ATOM 673 O ARG A 42 16.099 26.292 -13.019 1.00 1.00 O ATOM 674 CB ARG A 42 17.789 24.008 -11.814 1.00 1.00 C ATOM 675 CG ARG A 42 19.193 24.533 -12.131 1.00 1.00 C ATOM 676 CD ARG A 42 20.038 23.409 -12.737 1.00 1.00 C ATOM 677 NE ARG A 42 20.287 22.369 -11.747 1.00 1.00 N ATOM 678 CZ ARG A 42 20.894 21.237 -12.083 1.00 1.00 C ATOM 679 NH1 ARG A 42 21.275 21.047 -13.317 1.00 1.00 N ATOM 680 NH2 ARG A 42 21.112 20.315 -11.184 1.00 1.00 N ATOM 0 H ARG A 42 15.475 23.629 -11.059 1.00 1.00 H new ATOM 0 HA ARG A 42 17.481 25.419 -10.208 1.00 1.00 H new ATOM 0 HB2 ARG A 42 17.855 23.129 -11.173 1.00 1.00 H new ATOM 0 HB3 ARG A 42 17.291 23.696 -12.732 1.00 1.00 H new ATOM 0 HG2 ARG A 42 19.131 25.370 -12.827 1.00 1.00 H new ATOM 0 HG3 ARG A 42 19.666 24.908 -11.223 1.00 1.00 H new ATOM 0 HD2 ARG A 42 19.524 22.984 -13.599 1.00 1.00 H new ATOM 0 HD3 ARG A 42 20.985 23.811 -13.097 1.00 1.00 H new ATOM 0 HE ARG A 42 19.991 22.513 -10.782 1.00 1.00 H new ATOM 0 HH11 ARG A 42 21.106 21.767 -14.019 1.00 1.00 H new ATOM 0 HH12 ARG A 42 21.742 20.179 -13.579 1.00 1.00 H new ATOM 0 HH21 ARG A 42 20.816 20.463 -10.219 1.00 1.00 H new ATOM 0 HH22 ARG A 42 21.579 19.447 -11.447 1.00 1.00 H new ATOM 694 N ASN A 43 17.610 27.368 -11.732 1.00 1.00 N ATOM 695 CA ASN A 43 17.601 28.598 -12.532 1.00 1.00 C ATOM 696 C ASN A 43 18.847 28.678 -13.417 1.00 1.00 C ATOM 697 O ASN A 43 19.751 29.473 -13.166 1.00 1.00 O ATOM 698 CB ASN A 43 17.559 29.814 -11.600 1.00 1.00 C ATOM 699 CG ASN A 43 16.185 29.913 -10.945 1.00 1.00 C ATOM 700 OD1 ASN A 43 15.216 29.345 -11.447 1.00 1.00 O ATOM 701 ND2 ASN A 43 16.042 30.601 -9.845 1.00 1.00 N ATOM 0 H ASN A 43 18.239 27.395 -10.929 1.00 1.00 H new ATOM 0 HA ASN A 43 16.719 28.590 -13.172 1.00 1.00 H new ATOM 0 HB2 ASN A 43 18.331 29.725 -10.836 1.00 1.00 H new ATOM 0 HB3 ASN A 43 17.770 30.723 -12.163 1.00 1.00 H new ATOM 0 HD21 ASN A 43 15.126 30.668 -9.401 1.00 1.00 H new ATOM 0 HD22 ASN A 43 16.846 31.072 -9.430 1.00 1.00 H new ATOM 708 N GLY A 44 18.882 27.848 -14.458 1.00 1.00 N ATOM 709 CA GLY A 44 20.017 27.826 -15.378 1.00 1.00 C ATOM 710 C GLY A 44 20.326 29.226 -15.906 1.00 1.00 C ATOM 711 O GLY A 44 19.581 30.173 -15.654 1.00 1.00 O ATOM 0 H GLY A 44 18.141 27.185 -14.685 1.00 1.00 H new ATOM 0 HA2 GLY A 44 20.893 27.424 -14.869 1.00 1.00 H new ATOM 0 HA3 GLY A 44 19.800 27.159 -16.212 1.00 1.00 H new ATOM 715 N PRO A 45 21.410 29.371 -16.627 1.00 1.00 N ATOM 716 CA PRO A 45 21.832 30.685 -17.201 1.00 1.00 C ATOM 717 C PRO A 45 21.042 31.044 -18.464 1.00 1.00 C ATOM 718 O PRO A 45 21.150 30.371 -19.489 1.00 1.00 O ATOM 719 CB PRO A 45 23.312 30.459 -17.520 1.00 1.00 C ATOM 720 CG PRO A 45 23.404 29.005 -17.853 1.00 1.00 C ATOM 721 CD PRO A 45 22.362 28.299 -16.975 1.00 1.00 C ATOM 0 HA PRO A 45 21.655 31.517 -16.520 1.00 1.00 H new ATOM 0 HB2 PRO A 45 23.637 31.079 -18.355 1.00 1.00 H new ATOM 0 HB3 PRO A 45 23.945 30.712 -16.669 1.00 1.00 H new ATOM 0 HG2 PRO A 45 23.202 28.834 -18.910 1.00 1.00 H new ATOM 0 HG3 PRO A 45 24.405 28.622 -17.654 1.00 1.00 H new ATOM 0 HD2 PRO A 45 21.871 27.487 -17.511 1.00 1.00 H new ATOM 0 HD3 PRO A 45 22.817 27.864 -16.085 1.00 1.00 H new ATOM 729 N GLU A 46 20.251 32.112 -18.371 1.00 1.00 N ATOM 730 CA GLU A 46 19.438 32.572 -19.498 1.00 1.00 C ATOM 731 C GLU A 46 20.193 33.605 -20.353 1.00 1.00 C ATOM 732 O GLU A 46 20.027 33.637 -21.572 1.00 1.00 O ATOM 733 CB GLU A 46 18.124 33.182 -18.980 1.00 1.00 C ATOM 734 CG GLU A 46 17.672 32.440 -17.720 1.00 1.00 C ATOM 735 CD GLU A 46 17.543 30.948 -18.008 1.00 1.00 C ATOM 736 OE1 GLU A 46 17.301 30.604 -19.154 1.00 1.00 O ATOM 737 OE2 GLU A 46 17.683 30.170 -17.078 1.00 1.00 O ATOM 0 H GLU A 46 20.155 32.676 -17.526 1.00 1.00 H new ATOM 0 HA GLU A 46 19.218 31.710 -20.128 1.00 1.00 H new ATOM 0 HB2 GLU A 46 18.265 34.240 -18.760 1.00 1.00 H new ATOM 0 HB3 GLU A 46 17.354 33.116 -19.748 1.00 1.00 H new ATOM 0 HG2 GLU A 46 18.390 32.602 -16.916 1.00 1.00 H new ATOM 0 HG3 GLU A 46 16.716 32.836 -17.379 1.00 1.00 H new ATOM 744 N PRO A 47 21.008 34.447 -19.750 1.00 1.00 N ATOM 745 CA PRO A 47 21.784 35.491 -20.498 1.00 1.00 C ATOM 746 C PRO A 47 22.699 34.874 -21.565 1.00 1.00 C ATOM 747 O PRO A 47 23.206 33.766 -21.394 1.00 1.00 O ATOM 748 CB PRO A 47 22.596 36.209 -19.399 1.00 1.00 C ATOM 749 CG PRO A 47 21.885 35.898 -18.118 1.00 1.00 C ATOM 750 CD PRO A 47 21.280 34.510 -18.303 1.00 1.00 C ATOM 0 HA PRO A 47 21.135 36.170 -21.051 1.00 1.00 H new ATOM 0 HB2 PRO A 47 23.626 35.853 -19.374 1.00 1.00 H new ATOM 0 HB3 PRO A 47 22.635 37.284 -19.577 1.00 1.00 H new ATOM 0 HG2 PRO A 47 22.575 35.914 -17.274 1.00 1.00 H new ATOM 0 HG3 PRO A 47 21.111 36.637 -17.911 1.00 1.00 H new ATOM 0 HD2 PRO A 47 21.969 33.726 -17.989 1.00 1.00 H new ATOM 0 HD3 PRO A 47 20.369 34.387 -17.717 1.00 1.00 H new ATOM 758 N VAL A 48 22.887 35.596 -22.670 1.00 1.00 N ATOM 759 CA VAL A 48 23.726 35.110 -23.771 1.00 1.00 C ATOM 760 C VAL A 48 25.180 35.549 -23.587 1.00 1.00 C ATOM 761 O VAL A 48 25.454 36.718 -23.309 1.00 1.00 O ATOM 762 CB VAL A 48 23.188 35.652 -25.100 1.00 1.00 C ATOM 763 CG1 VAL A 48 24.124 35.249 -26.241 1.00 1.00 C ATOM 764 CG2 VAL A 48 21.796 35.071 -25.360 1.00 1.00 C ATOM 0 H VAL A 48 22.473 36.515 -22.828 1.00 1.00 H new ATOM 0 HA VAL A 48 23.695 34.020 -23.775 1.00 1.00 H new ATOM 0 HB VAL A 48 23.130 36.739 -25.047 1.00 1.00 H new ATOM 0 HG11 VAL A 48 23.737 35.637 -27.183 1.00 1.00 H new ATOM 0 HG12 VAL A 48 25.117 35.661 -26.060 1.00 1.00 H new ATOM 0 HG13 VAL A 48 24.186 34.162 -26.294 1.00 1.00 H new ATOM 0 HG21 VAL A 48 21.412 35.456 -26.305 1.00 1.00 H new ATOM 0 HG22 VAL A 48 21.859 33.984 -25.409 1.00 1.00 H new ATOM 0 HG23 VAL A 48 21.125 35.359 -24.551 1.00 1.00 H new ATOM 774 N ARG A 49 26.101 34.599 -23.743 1.00 1.00 N ATOM 775 CA ARG A 49 27.531 34.886 -23.594 1.00 1.00 C ATOM 776 C ARG A 49 28.112 35.466 -24.883 1.00 1.00 C ATOM 777 O ARG A 49 29.170 35.042 -25.347 1.00 1.00 O ATOM 778 CB ARG A 49 28.285 33.603 -23.205 1.00 1.00 C ATOM 779 CG ARG A 49 28.036 32.510 -24.249 1.00 1.00 C ATOM 780 CD ARG A 49 28.795 31.231 -23.865 1.00 1.00 C ATOM 781 NE ARG A 49 28.582 30.208 -24.886 1.00 1.00 N ATOM 782 CZ ARG A 49 29.227 29.044 -24.857 1.00 1.00 C ATOM 783 NH1 ARG A 49 30.077 28.779 -23.902 1.00 1.00 N ATOM 784 NH2 ARG A 49 29.006 28.162 -25.795 1.00 1.00 N ATOM 0 H ARG A 49 25.886 33.628 -23.971 1.00 1.00 H new ATOM 0 HA ARG A 49 27.651 35.628 -22.804 1.00 1.00 H new ATOM 0 HB2 ARG A 49 29.353 33.808 -23.129 1.00 1.00 H new ATOM 0 HB3 ARG A 49 27.956 33.261 -22.224 1.00 1.00 H new ATOM 0 HG2 ARG A 49 26.969 32.301 -24.321 1.00 1.00 H new ATOM 0 HG3 ARG A 49 28.360 32.854 -25.231 1.00 1.00 H new ATOM 0 HD2 ARG A 49 29.859 31.444 -23.766 1.00 1.00 H new ATOM 0 HD3 ARG A 49 28.451 30.869 -22.896 1.00 1.00 H new ATOM 0 HE ARG A 49 27.921 30.391 -25.641 1.00 1.00 H new ATOM 0 HH11 ARG A 49 30.252 29.467 -23.169 1.00 1.00 H new ATOM 0 HH12 ARG A 49 30.566 27.884 -23.889 1.00 1.00 H new ATOM 0 HH21 ARG A 49 28.343 28.368 -26.543 1.00 1.00 H new ATOM 0 HH22 ARG A 49 29.496 27.268 -25.780 1.00 1.00 H new ATOM 798 N PHE A 50 27.416 36.449 -25.452 1.00 1.00 N ATOM 799 CA PHE A 50 27.875 37.091 -26.680 1.00 1.00 C ATOM 800 C PHE A 50 29.240 37.742 -26.467 1.00 1.00 C ATOM 801 O PHE A 50 30.140 37.605 -27.297 1.00 1.00 O ATOM 802 CB PHE A 50 26.860 38.149 -27.124 1.00 1.00 C ATOM 803 CG PHE A 50 27.350 38.831 -28.383 1.00 1.00 C ATOM 804 CD1 PHE A 50 27.283 38.165 -29.614 1.00 1.00 C ATOM 805 CD2 PHE A 50 27.868 40.132 -28.322 1.00 1.00 C ATOM 806 CE1 PHE A 50 27.735 38.798 -30.780 1.00 1.00 C ATOM 807 CE2 PHE A 50 28.318 40.764 -29.487 1.00 1.00 C ATOM 808 CZ PHE A 50 28.252 40.096 -30.715 1.00 1.00 C ATOM 0 H PHE A 50 26.538 36.816 -25.084 1.00 1.00 H new ATOM 0 HA PHE A 50 27.968 36.331 -27.456 1.00 1.00 H new ATOM 0 HB2 PHE A 50 25.891 37.684 -27.305 1.00 1.00 H new ATOM 0 HB3 PHE A 50 26.718 38.885 -26.332 1.00 1.00 H new ATOM 0 HD1 PHE A 50 26.883 37.163 -29.664 1.00 1.00 H new ATOM 0 HD2 PHE A 50 27.920 40.648 -27.374 1.00 1.00 H new ATOM 0 HE1 PHE A 50 27.684 38.284 -31.728 1.00 1.00 H new ATOM 0 HE2 PHE A 50 28.716 41.767 -29.438 1.00 1.00 H new ATOM 0 HZ PHE A 50 28.601 40.583 -31.614 1.00 1.00 H new ATOM 818 N GLY A 51 29.390 38.451 -25.349 1.00 1.00 N ATOM 819 CA GLY A 51 30.653 39.117 -25.040 1.00 1.00 C ATOM 820 C GLY A 51 31.731 38.096 -24.686 1.00 1.00 C ATOM 821 O GLY A 51 31.515 37.220 -23.849 1.00 1.00 O ATOM 0 H GLY A 51 28.660 38.578 -24.648 1.00 1.00 H new ATOM 0 HA2 GLY A 51 30.975 39.711 -25.895 1.00 1.00 H new ATOM 0 HA3 GLY A 51 30.512 39.807 -24.208 1.00 1.00 H new ATOM 825 N ASP A 52 32.892 38.211 -25.331 1.00 1.00 N ATOM 826 CA ASP A 52 34.001 37.284 -25.086 1.00 1.00 C ATOM 827 C ASP A 52 35.337 38.027 -25.065 1.00 1.00 C ATOM 828 O ASP A 52 35.374 39.255 -24.975 1.00 1.00 O ATOM 829 CB ASP A 52 34.014 36.213 -26.177 1.00 1.00 C ATOM 830 CG ASP A 52 32.814 35.286 -26.003 1.00 1.00 C ATOM 831 OD1 ASP A 52 32.274 35.249 -24.908 1.00 1.00 O ATOM 832 OD2 ASP A 52 32.458 34.624 -26.961 1.00 1.00 O ATOM 0 H ASP A 52 33.090 38.933 -26.024 1.00 1.00 H new ATOM 0 HA ASP A 52 33.860 36.815 -24.112 1.00 1.00 H new ATOM 0 HB2 ASP A 52 33.984 36.682 -27.161 1.00 1.00 H new ATOM 0 HB3 ASP A 52 34.939 35.639 -26.126 1.00 1.00 H new ATOM 837 N TRP A 53 36.436 37.272 -25.136 1.00 1.00 N ATOM 838 CA TRP A 53 37.775 37.863 -25.115 1.00 1.00 C ATOM 839 C TRP A 53 38.242 38.204 -26.531 1.00 1.00 C ATOM 840 O TRP A 53 38.015 37.439 -27.468 1.00 1.00 O ATOM 841 CB TRP A 53 38.764 36.876 -24.485 1.00 1.00 C ATOM 842 CG TRP A 53 38.200 36.325 -23.211 1.00 1.00 C ATOM 843 CD1 TRP A 53 37.751 37.065 -22.172 1.00 1.00 C ATOM 844 CD2 TRP A 53 38.027 34.931 -22.825 1.00 1.00 C ATOM 845 NE1 TRP A 53 37.312 36.213 -21.172 1.00 1.00 N ATOM 846 CE2 TRP A 53 37.462 34.886 -21.530 1.00 1.00 C ATOM 847 CE3 TRP A 53 38.304 33.711 -23.469 1.00 1.00 C ATOM 848 CZ2 TRP A 53 37.181 33.676 -20.895 1.00 1.00 C ATOM 849 CZ3 TRP A 53 38.022 32.490 -22.832 1.00 1.00 C ATOM 850 CH2 TRP A 53 37.463 32.473 -21.548 1.00 1.00 C ATOM 0 H TRP A 53 36.425 36.255 -25.208 1.00 1.00 H new ATOM 0 HA TRP A 53 37.735 38.780 -24.527 1.00 1.00 H new ATOM 0 HB2 TRP A 53 38.972 36.063 -25.181 1.00 1.00 H new ATOM 0 HB3 TRP A 53 39.712 37.376 -24.286 1.00 1.00 H new ATOM 0 HD1 TRP A 53 37.737 38.144 -22.129 1.00 1.00 H new ATOM 0 HE1 TRP A 53 36.926 36.526 -20.281 1.00 1.00 H new ATOM 0 HE3 TRP A 53 38.736 33.713 -24.459 1.00 1.00 H new ATOM 0 HZ2 TRP A 53 36.748 33.669 -19.905 1.00 1.00 H new ATOM 0 HZ3 TRP A 53 38.238 31.559 -23.336 1.00 1.00 H new ATOM 0 HH2 TRP A 53 37.250 31.532 -21.063 1.00 1.00 H new ATOM 861 N GLU A 54 38.901 39.352 -26.677 1.00 1.00 N ATOM 862 CA GLU A 54 39.395 39.775 -27.986 1.00 1.00 C ATOM 863 C GLU A 54 40.475 40.850 -27.842 1.00 1.00 C ATOM 864 O GLU A 54 41.384 40.938 -28.666 1.00 1.00 O ATOM 865 CB GLU A 54 38.236 40.318 -28.828 1.00 1.00 C ATOM 866 CG GLU A 54 38.699 40.535 -30.270 1.00 1.00 C ATOM 867 CD GLU A 54 38.934 39.190 -30.950 1.00 1.00 C ATOM 868 OE1 GLU A 54 38.595 38.182 -30.354 1.00 1.00 O ATOM 869 OE2 GLU A 54 39.449 39.187 -32.055 1.00 1.00 O ATOM 0 H GLU A 54 39.104 39.999 -25.915 1.00 1.00 H new ATOM 0 HA GLU A 54 39.834 38.909 -28.482 1.00 1.00 H new ATOM 0 HB2 GLU A 54 37.400 39.619 -28.806 1.00 1.00 H new ATOM 0 HB3 GLU A 54 37.877 41.257 -28.407 1.00 1.00 H new ATOM 0 HG2 GLU A 54 37.949 41.104 -30.820 1.00 1.00 H new ATOM 0 HG3 GLU A 54 39.617 41.123 -30.282 1.00 1.00 H new ATOM 876 N LYS A 55 40.367 41.657 -26.787 1.00 1.00 N ATOM 877 CA LYS A 55 41.333 42.733 -26.522 1.00 1.00 C ATOM 878 C LYS A 55 41.873 43.341 -27.823 1.00 1.00 C ATOM 879 O LYS A 55 41.131 43.518 -28.788 1.00 1.00 O ATOM 880 CB LYS A 55 42.495 42.185 -25.676 1.00 1.00 C ATOM 881 CG LYS A 55 43.184 43.327 -24.904 1.00 1.00 C ATOM 882 CD LYS A 55 42.464 43.570 -23.572 1.00 1.00 C ATOM 883 CE LYS A 55 43.193 44.657 -22.780 1.00 1.00 C ATOM 884 NZ LYS A 55 42.485 44.885 -21.489 1.00 1.00 N ATOM 0 H LYS A 55 39.619 41.589 -26.097 1.00 1.00 H new ATOM 0 HA LYS A 55 40.819 43.523 -25.976 1.00 1.00 H new ATOM 0 HB2 LYS A 55 42.122 41.438 -24.976 1.00 1.00 H new ATOM 0 HB3 LYS A 55 43.218 41.685 -26.321 1.00 1.00 H new ATOM 0 HG2 LYS A 55 44.229 43.075 -24.721 1.00 1.00 H new ATOM 0 HG3 LYS A 55 43.176 44.238 -25.502 1.00 1.00 H new ATOM 0 HD2 LYS A 55 41.432 43.871 -23.755 1.00 1.00 H new ATOM 0 HD3 LYS A 55 42.429 42.647 -22.993 1.00 1.00 H new ATOM 0 HE2 LYS A 55 44.224 44.358 -22.594 1.00 1.00 H new ATOM 0 HE3 LYS A 55 43.228 45.581 -23.357 1.00 1.00 H new ATOM 0 HZ1 LYS A 55 42.978 45.624 -20.948 1.00 1.00 H new ATOM 0 HZ2 LYS A 55 41.508 45.188 -21.678 1.00 1.00 H new ATOM 0 HZ3 LYS A 55 42.474 44.003 -20.939 1.00 1.00 H new ATOM 898 N LYS A 56 43.170 43.662 -27.836 1.00 1.00 N ATOM 899 CA LYS A 56 43.800 44.255 -29.021 1.00 1.00 C ATOM 900 C LYS A 56 45.269 43.842 -29.115 1.00 1.00 C ATOM 901 O LYS A 56 45.911 43.560 -28.104 1.00 1.00 O ATOM 902 CB LYS A 56 43.690 45.784 -28.967 1.00 1.00 C ATOM 903 CG LYS A 56 44.504 46.336 -27.791 1.00 1.00 C ATOM 904 CD LYS A 56 44.303 47.852 -27.698 1.00 1.00 C ATOM 905 CE LYS A 56 45.238 48.430 -26.634 1.00 1.00 C ATOM 906 NZ LYS A 56 44.908 47.840 -25.306 1.00 1.00 N ATOM 0 H LYS A 56 43.801 43.523 -27.046 1.00 1.00 H new ATOM 0 HA LYS A 56 43.279 43.890 -29.906 1.00 1.00 H new ATOM 0 HB2 LYS A 56 44.051 46.214 -29.901 1.00 1.00 H new ATOM 0 HB3 LYS A 56 42.645 46.077 -28.864 1.00 1.00 H new ATOM 0 HG2 LYS A 56 44.191 45.859 -26.862 1.00 1.00 H new ATOM 0 HG3 LYS A 56 45.561 46.106 -27.927 1.00 1.00 H new ATOM 0 HD2 LYS A 56 44.504 48.315 -28.664 1.00 1.00 H new ATOM 0 HD3 LYS A 56 43.267 48.077 -27.446 1.00 1.00 H new ATOM 0 HE2 LYS A 56 46.275 48.215 -26.891 1.00 1.00 H new ATOM 0 HE3 LYS A 56 45.137 49.515 -26.597 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 45.355 48.404 -24.555 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 43.877 47.841 -25.172 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 45.262 46.863 -25.263 1.00 1.00 H new ATOM 920 N GLY A 57 45.794 43.813 -30.339 1.00 1.00 N ATOM 921 CA GLY A 57 47.189 43.435 -30.558 1.00 1.00 C ATOM 922 C GLY A 57 47.318 41.925 -30.716 1.00 1.00 C ATOM 923 O GLY A 57 46.969 41.168 -29.811 1.00 1.00 O ATOM 0 H GLY A 57 45.279 44.045 -31.188 1.00 1.00 H new ATOM 0 HA2 GLY A 57 47.571 43.933 -31.449 1.00 1.00 H new ATOM 0 HA3 GLY A 57 47.798 43.772 -29.719 1.00 1.00 H new ATOM 927 N ILE A 58 47.828 41.496 -31.870 1.00 1.00 N ATOM 928 CA ILE A 58 48.005 40.068 -32.147 1.00 1.00 C ATOM 929 C ILE A 58 46.846 39.253 -31.580 1.00 1.00 C ATOM 930 O ILE A 58 46.992 38.072 -31.274 1.00 1.00 O ATOM 931 CB ILE A 58 49.351 39.584 -31.566 1.00 1.00 C ATOM 932 CG1 ILE A 58 49.588 38.098 -31.934 1.00 1.00 C ATOM 933 CG2 ILE A 58 49.372 39.753 -30.034 1.00 1.00 C ATOM 934 CD1 ILE A 58 51.091 37.822 -32.056 1.00 1.00 C ATOM 0 H ILE A 58 48.125 42.113 -32.626 1.00 1.00 H new ATOM 0 HA ILE A 58 48.015 39.922 -33.227 1.00 1.00 H new ATOM 0 HB ILE A 58 50.148 40.190 -31.996 1.00 1.00 H new ATOM 0 HG12 ILE A 58 49.152 37.452 -31.172 1.00 1.00 H new ATOM 0 HG13 ILE A 58 49.089 37.864 -32.874 1.00 1.00 H new ATOM 0 HG21 ILE A 58 50.329 39.406 -29.643 1.00 1.00 H new ATOM 0 HG22 ILE A 58 49.236 40.805 -29.782 1.00 1.00 H new ATOM 0 HG23 ILE A 58 48.566 39.167 -29.592 1.00 1.00 H new ATOM 0 HD11 ILE A 58 51.249 36.775 -32.315 1.00 1.00 H new ATOM 0 HD12 ILE A 58 51.515 38.456 -32.834 1.00 1.00 H new ATOM 0 HD13 ILE A 58 51.579 38.038 -31.106 1.00 1.00 H new ATOM 946 N ALA A 59 45.692 39.896 -31.429 1.00 1.00 N ATOM 947 CA ALA A 59 44.514 39.223 -30.884 1.00 1.00 C ATOM 948 C ALA A 59 43.273 39.558 -31.703 1.00 1.00 C ATOM 949 O ALA A 59 42.166 39.135 -31.368 1.00 1.00 O ATOM 950 CB ALA A 59 44.312 39.661 -29.434 1.00 1.00 C ATOM 0 H ALA A 59 45.546 40.875 -31.674 1.00 1.00 H new ATOM 0 HA ALA A 59 44.671 38.145 -30.927 1.00 1.00 H new ATOM 0 HB1 ALA A 59 43.435 39.162 -29.022 1.00 1.00 H new ATOM 0 HB2 ALA A 59 45.191 39.393 -28.847 1.00 1.00 H new ATOM 0 HB3 ALA A 59 44.166 40.741 -29.397 1.00 1.00 H new ATOM 956 N ILE A 60 43.463 40.317 -32.776 1.00 1.00 N ATOM 957 CA ILE A 60 42.348 40.703 -33.636 1.00 1.00 C ATOM 958 C ILE A 60 41.732 39.479 -34.316 1.00 1.00 C ATOM 959 O ILE A 60 40.511 39.350 -34.391 1.00 1.00 O ATOM 960 CB ILE A 60 42.835 41.703 -34.696 1.00 1.00 C ATOM 961 CG1 ILE A 60 43.209 43.022 -34.013 1.00 1.00 C ATOM 962 CG2 ILE A 60 41.724 41.964 -35.718 1.00 1.00 C ATOM 963 CD1 ILE A 60 43.960 43.918 -35.001 1.00 1.00 C ATOM 0 H ILE A 60 44.371 40.676 -33.071 1.00 1.00 H new ATOM 0 HA ILE A 60 41.581 41.171 -33.019 1.00 1.00 H new ATOM 0 HB ILE A 60 43.704 41.288 -35.207 1.00 1.00 H new ATOM 0 HG12 ILE A 60 42.310 43.527 -33.659 1.00 1.00 H new ATOM 0 HG13 ILE A 60 43.830 42.827 -33.139 1.00 1.00 H new ATOM 0 HG21 ILE A 60 42.077 42.674 -36.466 1.00 1.00 H new ATOM 0 HG22 ILE A 60 41.451 41.028 -36.206 1.00 1.00 H new ATOM 0 HG23 ILE A 60 40.852 42.376 -35.210 1.00 1.00 H new ATOM 0 HD11 ILE A 60 44.225 44.856 -34.513 1.00 1.00 H new ATOM 0 HD12 ILE A 60 44.867 43.413 -35.333 1.00 1.00 H new ATOM 0 HD13 ILE A 60 43.324 44.124 -35.862 1.00 1.00 H new ATOM 975 N ASP A 61 42.584 38.590 -34.819 1.00 1.00 N ATOM 976 CA ASP A 61 42.118 37.384 -35.503 1.00 1.00 C ATOM 977 C ASP A 61 41.353 36.459 -34.554 1.00 1.00 C ATOM 978 O ASP A 61 40.328 35.888 -34.929 1.00 1.00 O ATOM 979 CB ASP A 61 43.316 36.640 -36.098 1.00 1.00 C ATOM 980 CG ASP A 61 42.852 35.394 -36.847 1.00 1.00 C ATOM 981 OD1 ASP A 61 41.680 35.070 -36.756 1.00 1.00 O ATOM 982 OD2 ASP A 61 43.678 34.783 -37.506 1.00 1.00 O ATOM 0 H ASP A 61 43.599 38.680 -34.767 1.00 1.00 H new ATOM 0 HA ASP A 61 41.435 37.686 -36.297 1.00 1.00 H new ATOM 0 HB2 ASP A 61 43.860 37.298 -36.776 1.00 1.00 H new ATOM 0 HB3 ASP A 61 44.008 36.358 -35.304 1.00 1.00 H new ATOM 987 N PHE A 62 41.859 36.305 -33.331 1.00 1.00 N ATOM 988 CA PHE A 62 41.217 35.436 -32.339 1.00 1.00 C ATOM 989 C PHE A 62 40.251 36.234 -31.468 1.00 1.00 C ATOM 990 O PHE A 62 39.055 36.070 -31.639 1.00 1.00 O ATOM 991 CB PHE A 62 42.277 34.784 -31.451 1.00 1.00 C ATOM 992 CG PHE A 62 43.072 33.778 -32.250 1.00 1.00 C ATOM 993 CD1 PHE A 62 42.590 32.472 -32.407 1.00 1.00 C ATOM 994 CD2 PHE A 62 44.296 34.145 -32.825 1.00 1.00 C ATOM 995 CE1 PHE A 62 43.330 31.535 -33.139 1.00 1.00 C ATOM 996 CE2 PHE A 62 45.036 33.207 -33.553 1.00 1.00 C ATOM 997 CZ PHE A 62 44.553 31.903 -33.712 1.00 1.00 C ATOM 0 H PHE A 62 42.707 36.767 -33.002 1.00 1.00 H new ATOM 0 HA PHE A 62 40.660 34.665 -32.871 1.00 1.00 H new ATOM 0 HB2 PHE A 62 42.942 35.546 -31.045 1.00 1.00 H new ATOM 0 HB3 PHE A 62 41.801 34.292 -30.603 1.00 1.00 H new ATOM 0 HD1 PHE A 62 41.647 32.188 -31.963 1.00 1.00 H new ATOM 0 HD2 PHE A 62 44.668 35.152 -32.706 1.00 1.00 H new ATOM 0 HE1 PHE A 62 42.957 30.529 -33.261 1.00 1.00 H new ATOM 0 HE2 PHE A 62 45.981 33.489 -33.993 1.00 1.00 H new ATOM 0 HZ PHE A 62 45.124 31.181 -34.277 1.00 1.00 H new TER 1007 PHE A 62