USER MOD reduce.3.24.130724 H: found=0, std=0, add=754, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 753 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 43 ASN : amide:sc= 0.0959 K(o=0.42,f=-5.4!) USER MOD Set 1.2: A 68 TYR OH : rot -158:sc= 0.322 USER MOD Set 2.1: A 29 HIS : no HD1:sc= -0.512 K(o=-2.1,f=-3.5) USER MOD Set 2.2: A 49 LYS NZ :NH3+ -176:sc= -1.59 (180deg=-1.64) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 154:sc= 0.642 (180deg=0.128!) USER MOD Single : A 4 THR OG1 : rot 63:sc= -0.329 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.274 K(o=-0.27,f=-0.98) USER MOD Single : A 28 LYS NZ :NH3+ -127:sc= -1.77 (180deg=-4.59!) USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.388 USER MOD Single : A 55 ASN : amide:sc= -1.29 K(o=-1.3,f=-3.2!) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.0273 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= -1.54 X(o=-1.5,f=-1.3) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 MET CE :methyl 171:sc= 0 (180deg=-0.0874) USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 89 LYS NZ :NH3+ 162:sc= -0.04 (180deg=-0.423) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.732 -14.900 -13.091 1.00 0.00 N ATOM 2 CA MET A 1 -5.261 -15.957 -12.151 1.00 0.00 C ATOM 3 C MET A 1 -3.743 -16.051 -12.226 1.00 0.00 C ATOM 4 O MET A 1 -3.196 -16.815 -13.022 1.00 0.00 O ATOM 5 CB MET A 1 -5.887 -17.304 -12.531 1.00 0.00 C ATOM 6 CG MET A 1 -7.410 -17.253 -12.332 1.00 0.00 C ATOM 7 SD MET A 1 -8.157 -16.234 -13.628 1.00 0.00 S ATOM 8 CE MET A 1 -9.862 -16.800 -13.408 1.00 0.00 C ATOM 0 H1 MET A 1 -6.708 -15.106 -13.384 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.701 -13.975 -12.617 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.116 -14.881 -13.929 1.00 0.00 H new ATOM 0 HA MET A 1 -5.560 -15.703 -11.134 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.656 -17.541 -13.569 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.459 -18.098 -11.920 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.825 -18.260 -12.363 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.645 -16.841 -11.351 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.510 -16.290 -14.121 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.913 -17.876 -13.576 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.192 -16.576 -12.394 1.00 0.00 H new ATOM 20 N GLU A 2 -3.067 -15.270 -11.390 1.00 0.00 N ATOM 21 CA GLU A 2 -1.610 -15.270 -11.366 1.00 0.00 C ATOM 22 C GLU A 2 -1.099 -14.515 -10.134 1.00 0.00 C ATOM 23 O GLU A 2 -0.557 -13.416 -10.254 1.00 0.00 O ATOM 24 CB GLU A 2 -1.066 -14.627 -12.657 1.00 0.00 C ATOM 25 CG GLU A 2 -1.879 -13.370 -12.991 1.00 0.00 C ATOM 26 CD GLU A 2 -1.240 -12.627 -14.162 1.00 0.00 C ATOM 27 OE1 GLU A 2 -1.045 -13.246 -15.195 1.00 0.00 O ATOM 28 OE2 GLU A 2 -0.956 -11.451 -14.007 1.00 0.00 O ATOM 0 H GLU A 2 -3.502 -14.632 -10.724 1.00 0.00 H new ATOM 0 HA GLU A 2 -1.255 -16.299 -11.309 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -0.015 -14.369 -12.531 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -1.123 -15.338 -13.481 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -2.903 -13.646 -13.241 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -1.928 -12.717 -12.119 1.00 0.00 H new ATOM 35 N PRO A 3 -1.250 -15.085 -8.959 1.00 0.00 N ATOM 36 CA PRO A 3 -0.782 -14.449 -7.690 1.00 0.00 C ATOM 37 C PRO A 3 0.698 -14.066 -7.756 1.00 0.00 C ATOM 38 O PRO A 3 1.426 -14.508 -8.646 1.00 0.00 O ATOM 39 CB PRO A 3 -1.050 -15.524 -6.610 1.00 0.00 C ATOM 40 CG PRO A 3 -2.135 -16.382 -7.191 1.00 0.00 C ATOM 41 CD PRO A 3 -1.886 -16.394 -8.706 1.00 0.00 C ATOM 0 HA PRO A 3 -1.299 -13.513 -7.481 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -0.153 -16.107 -6.400 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -1.364 -15.071 -5.669 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -2.099 -17.391 -6.780 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -3.120 -15.978 -6.959 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -1.238 -17.219 -9.000 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -2.815 -16.504 -9.265 1.00 0.00 H new ATOM 49 N THR A 4 1.128 -13.234 -6.811 1.00 0.00 N ATOM 50 CA THR A 4 2.517 -12.776 -6.755 1.00 0.00 C ATOM 51 C THR A 4 2.919 -12.502 -5.316 1.00 0.00 C ATOM 52 O THR A 4 2.112 -12.644 -4.398 1.00 0.00 O ATOM 53 CB THR A 4 2.689 -11.501 -7.591 1.00 0.00 C ATOM 54 OG1 THR A 4 4.020 -11.023 -7.456 1.00 0.00 O ATOM 55 CG2 THR A 4 1.713 -10.428 -7.108 1.00 0.00 C ATOM 0 H THR A 4 0.534 -12.861 -6.071 1.00 0.00 H new ATOM 0 HA THR A 4 3.158 -13.558 -7.163 1.00 0.00 H new ATOM 0 HB THR A 4 2.485 -11.728 -8.637 1.00 0.00 H new ATOM 0 HG1 THR A 4 4.644 -11.688 -7.814 1.00 0.00 H new ATOM 0 HG21 THR A 4 1.840 -9.525 -7.705 1.00 0.00 H new ATOM 0 HG22 THR A 4 0.691 -10.792 -7.213 1.00 0.00 H new ATOM 0 HG23 THR A 4 1.911 -10.201 -6.061 1.00 0.00 H new ATOM 63 N ALA A 5 4.175 -12.118 -5.126 1.00 0.00 N ATOM 64 CA ALA A 5 4.692 -11.834 -3.792 1.00 0.00 C ATOM 65 C ALA A 5 5.915 -10.931 -3.887 1.00 0.00 C ATOM 66 O ALA A 5 6.919 -11.287 -4.503 1.00 0.00 O ATOM 67 CB ALA A 5 5.076 -13.142 -3.097 1.00 0.00 C ATOM 0 H ALA A 5 4.854 -11.996 -5.877 1.00 0.00 H new ATOM 0 HA ALA A 5 3.918 -11.329 -3.214 1.00 0.00 H new ATOM 0 HB1 ALA A 5 5.462 -12.925 -2.101 1.00 0.00 H new ATOM 0 HB2 ALA A 5 4.197 -13.782 -3.015 1.00 0.00 H new ATOM 0 HB3 ALA A 5 5.843 -13.652 -3.680 1.00 0.00 H new ATOM 73 N PHE A 6 5.819 -9.761 -3.266 1.00 0.00 N ATOM 74 CA PHE A 6 6.917 -8.797 -3.272 1.00 0.00 C ATOM 75 C PHE A 6 7.991 -9.219 -2.281 1.00 0.00 C ATOM 76 O PHE A 6 7.687 -9.672 -1.186 1.00 0.00 O ATOM 77 CB PHE A 6 6.384 -7.413 -2.886 1.00 0.00 C ATOM 78 CG PHE A 6 5.347 -6.968 -3.898 1.00 0.00 C ATOM 79 CD1 PHE A 6 4.043 -7.470 -3.828 1.00 0.00 C ATOM 80 CD2 PHE A 6 5.689 -6.052 -4.906 1.00 0.00 C ATOM 81 CE1 PHE A 6 3.083 -7.062 -4.762 1.00 0.00 C ATOM 82 CE2 PHE A 6 4.728 -5.645 -5.838 1.00 0.00 C ATOM 83 CZ PHE A 6 3.425 -6.150 -5.767 1.00 0.00 C ATOM 0 H PHE A 6 4.993 -9.455 -2.752 1.00 0.00 H new ATOM 0 HA PHE A 6 7.350 -8.759 -4.272 1.00 0.00 H new ATOM 0 HB2 PHE A 6 5.944 -7.447 -1.890 1.00 0.00 H new ATOM 0 HB3 PHE A 6 7.203 -6.694 -2.849 1.00 0.00 H new ATOM 0 HD1 PHE A 6 3.777 -8.173 -3.053 1.00 0.00 H new ATOM 0 HD2 PHE A 6 6.694 -5.661 -4.962 1.00 0.00 H new ATOM 0 HE1 PHE A 6 2.077 -7.452 -4.707 1.00 0.00 H new ATOM 0 HE2 PHE A 6 4.992 -4.941 -6.613 1.00 0.00 H new ATOM 0 HZ PHE A 6 2.684 -5.836 -6.487 1.00 0.00 H new ATOM 93 N SER A 7 9.254 -9.071 -2.672 1.00 0.00 N ATOM 94 CA SER A 7 10.372 -9.442 -1.799 1.00 0.00 C ATOM 95 C SER A 7 10.858 -8.227 -1.021 1.00 0.00 C ATOM 96 O SER A 7 10.333 -7.125 -1.181 1.00 0.00 O ATOM 97 CB SER A 7 11.518 -10.004 -2.634 1.00 0.00 C ATOM 98 OG SER A 7 11.020 -11.037 -3.476 1.00 0.00 O ATOM 0 H SER A 7 9.531 -8.700 -3.581 1.00 0.00 H new ATOM 0 HA SER A 7 10.029 -10.201 -1.096 1.00 0.00 H new ATOM 0 HB2 SER A 7 11.968 -9.214 -3.235 1.00 0.00 H new ATOM 0 HB3 SER A 7 12.301 -10.394 -1.983 1.00 0.00 H new ATOM 0 HG SER A 7 11.753 -11.400 -4.016 1.00 0.00 H new ATOM 104 N GLY A 8 11.866 -8.433 -0.182 1.00 0.00 N ATOM 105 CA GLY A 8 12.415 -7.341 0.610 1.00 0.00 C ATOM 106 C GLY A 8 13.062 -6.294 -0.291 1.00 0.00 C ATOM 107 O GLY A 8 12.885 -5.092 -0.090 1.00 0.00 O ATOM 0 H GLY A 8 12.316 -9.336 -0.034 1.00 0.00 H new ATOM 0 HA2 GLY A 8 11.624 -6.880 1.201 1.00 0.00 H new ATOM 0 HA3 GLY A 8 13.153 -7.729 1.312 1.00 0.00 H new ATOM 111 N SER A 9 13.810 -6.762 -1.287 1.00 0.00 N ATOM 112 CA SER A 9 14.482 -5.865 -2.224 1.00 0.00 C ATOM 113 C SER A 9 13.475 -5.230 -3.174 1.00 0.00 C ATOM 114 O SER A 9 13.708 -4.145 -3.709 1.00 0.00 O ATOM 115 CB SER A 9 15.520 -6.638 -3.035 1.00 0.00 C ATOM 116 OG SER A 9 16.247 -5.729 -3.850 1.00 0.00 O ATOM 0 H SER A 9 13.966 -7.754 -1.466 1.00 0.00 H new ATOM 0 HA SER A 9 14.975 -5.080 -1.651 1.00 0.00 H new ATOM 0 HB2 SER A 9 16.198 -7.169 -2.368 1.00 0.00 H new ATOM 0 HB3 SER A 9 15.030 -7.389 -3.655 1.00 0.00 H new ATOM 0 HG SER A 9 16.916 -6.220 -4.372 1.00 0.00 H new ATOM 122 N ASP A 10 12.353 -5.913 -3.380 1.00 0.00 N ATOM 123 CA ASP A 10 11.316 -5.401 -4.267 1.00 0.00 C ATOM 124 C ASP A 10 10.688 -4.160 -3.651 1.00 0.00 C ATOM 125 O ASP A 10 10.415 -4.137 -2.451 1.00 0.00 O ATOM 126 CB ASP A 10 10.237 -6.463 -4.494 1.00 0.00 C ATOM 127 CG ASP A 10 9.260 -5.992 -5.568 1.00 0.00 C ATOM 128 OD1 ASP A 10 9.254 -4.805 -5.858 1.00 0.00 O ATOM 129 OD2 ASP A 10 8.532 -6.823 -6.085 1.00 0.00 O ATOM 0 H ASP A 10 12.140 -6.813 -2.949 1.00 0.00 H new ATOM 0 HA ASP A 10 11.766 -5.147 -5.227 1.00 0.00 H new ATOM 0 HB2 ASP A 10 10.698 -7.403 -4.797 1.00 0.00 H new ATOM 0 HB3 ASP A 10 9.703 -6.655 -3.564 1.00 0.00 H new ATOM 134 N VAL A 11 10.478 -3.118 -4.467 1.00 0.00 N ATOM 135 CA VAL A 11 9.894 -1.855 -3.980 1.00 0.00 C ATOM 136 C VAL A 11 8.543 -1.562 -4.673 1.00 0.00 C ATOM 137 O VAL A 11 8.469 -1.597 -5.902 1.00 0.00 O ATOM 138 CB VAL A 11 10.879 -0.698 -4.251 1.00 0.00 C ATOM 139 CG1 VAL A 11 12.095 -0.832 -3.325 1.00 0.00 C ATOM 140 CG2 VAL A 11 11.356 -0.726 -5.712 1.00 0.00 C ATOM 0 H VAL A 11 10.701 -3.121 -5.462 1.00 0.00 H new ATOM 0 HA VAL A 11 9.714 -1.947 -2.909 1.00 0.00 H new ATOM 0 HB VAL A 11 10.366 0.245 -4.062 1.00 0.00 H new ATOM 0 HG11 VAL A 11 12.790 -0.015 -3.517 1.00 0.00 H new ATOM 0 HG12 VAL A 11 11.767 -0.793 -2.286 1.00 0.00 H new ATOM 0 HG13 VAL A 11 12.593 -1.783 -3.513 1.00 0.00 H new ATOM 0 HG21 VAL A 11 12.050 0.097 -5.884 1.00 0.00 H new ATOM 0 HG22 VAL A 11 11.859 -1.672 -5.913 1.00 0.00 H new ATOM 0 HG23 VAL A 11 10.498 -0.623 -6.377 1.00 0.00 H new ATOM 150 N PRO A 12 7.479 -1.260 -3.938 1.00 0.00 N ATOM 151 CA PRO A 12 6.156 -0.947 -4.556 1.00 0.00 C ATOM 152 C PRO A 12 6.116 0.495 -5.076 1.00 0.00 C ATOM 153 O PRO A 12 6.873 1.348 -4.615 1.00 0.00 O ATOM 154 CB PRO A 12 5.168 -1.158 -3.397 1.00 0.00 C ATOM 155 CG PRO A 12 5.947 -0.757 -2.178 1.00 0.00 C ATOM 156 CD PRO A 12 7.400 -1.183 -2.454 1.00 0.00 C ATOM 0 HA PRO A 12 5.929 -1.568 -5.423 1.00 0.00 H new ATOM 0 HB2 PRO A 12 4.274 -0.546 -3.518 1.00 0.00 H new ATOM 0 HB3 PRO A 12 4.839 -2.195 -3.337 1.00 0.00 H new ATOM 0 HG2 PRO A 12 5.880 0.317 -2.006 1.00 0.00 H new ATOM 0 HG3 PRO A 12 5.558 -1.247 -1.286 1.00 0.00 H new ATOM 0 HD2 PRO A 12 8.110 -0.460 -2.054 1.00 0.00 H new ATOM 0 HD3 PRO A 12 7.629 -2.143 -1.992 1.00 0.00 H new ATOM 164 N ARG A 13 5.221 0.758 -6.024 1.00 0.00 N ATOM 165 CA ARG A 13 5.072 2.102 -6.590 1.00 0.00 C ATOM 166 C ARG A 13 3.690 2.245 -7.206 1.00 0.00 C ATOM 167 O ARG A 13 3.274 1.416 -8.017 1.00 0.00 O ATOM 168 CB ARG A 13 6.152 2.359 -7.643 1.00 0.00 C ATOM 169 CG ARG A 13 6.028 3.788 -8.174 1.00 0.00 C ATOM 170 CD ARG A 13 7.208 4.094 -9.095 1.00 0.00 C ATOM 171 NE ARG A 13 7.066 5.435 -9.652 1.00 0.00 N ATOM 172 CZ ARG A 13 7.387 6.516 -8.946 1.00 0.00 C ATOM 173 NH1 ARG A 13 7.243 7.700 -9.471 1.00 0.00 N ATOM 174 NH2 ARG A 13 7.841 6.391 -7.728 1.00 0.00 N ATOM 0 H ARG A 13 4.588 0.062 -6.418 1.00 0.00 H new ATOM 0 HA ARG A 13 5.187 2.838 -5.795 1.00 0.00 H new ATOM 0 HB2 ARG A 13 7.140 2.207 -7.208 1.00 0.00 H new ATOM 0 HB3 ARG A 13 6.051 1.647 -8.462 1.00 0.00 H new ATOM 0 HG2 ARG A 13 5.090 3.906 -8.716 1.00 0.00 H new ATOM 0 HG3 ARG A 13 6.008 4.495 -7.345 1.00 0.00 H new ATOM 0 HD2 ARG A 13 8.143 4.018 -8.540 1.00 0.00 H new ATOM 0 HD3 ARG A 13 7.254 3.359 -9.899 1.00 0.00 H new ATOM 0 HE ARG A 13 6.713 5.546 -10.603 1.00 0.00 H new ATOM 0 HH11 ARG A 13 6.885 7.796 -10.421 1.00 0.00 H new ATOM 0 HH12 ARG A 13 7.488 8.530 -8.932 1.00 0.00 H new ATOM 0 HH21 ARG A 13 7.950 5.464 -7.317 1.00 0.00 H new ATOM 0 HH22 ARG A 13 8.087 7.221 -7.188 1.00 0.00 H new ATOM 188 N LEU A 14 2.974 3.292 -6.812 1.00 0.00 N ATOM 189 CA LEU A 14 1.631 3.514 -7.330 1.00 0.00 C ATOM 190 C LEU A 14 1.670 3.860 -8.831 1.00 0.00 C ATOM 191 O LEU A 14 2.259 4.874 -9.204 1.00 0.00 O ATOM 192 CB LEU A 14 0.968 4.655 -6.549 1.00 0.00 C ATOM 193 CG LEU A 14 1.042 4.370 -5.036 1.00 0.00 C ATOM 194 CD1 LEU A 14 0.395 5.531 -4.273 1.00 0.00 C ATOM 195 CD2 LEU A 14 0.304 3.051 -4.697 1.00 0.00 C ATOM 0 H LEU A 14 3.296 3.992 -6.144 1.00 0.00 H new ATOM 0 HA LEU A 14 1.053 2.598 -7.207 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.465 5.598 -6.775 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.072 4.761 -6.857 1.00 0.00 H new ATOM 0 HG LEU A 14 2.087 4.270 -4.744 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.444 5.335 -3.202 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.927 6.455 -4.498 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.647 5.630 -4.576 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.366 2.865 -3.625 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.742 3.134 -4.991 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.768 2.225 -5.236 1.00 0.00 H new ATOM 207 N PRO A 15 1.069 3.063 -9.704 1.00 0.00 N ATOM 208 CA PRO A 15 1.083 3.350 -11.166 1.00 0.00 C ATOM 209 C PRO A 15 0.103 4.463 -11.535 1.00 0.00 C ATOM 210 O PRO A 15 -0.818 4.767 -10.778 1.00 0.00 O ATOM 211 CB PRO A 15 0.698 2.001 -11.800 1.00 0.00 C ATOM 212 CG PRO A 15 -0.202 1.358 -10.787 1.00 0.00 C ATOM 213 CD PRO A 15 0.310 1.821 -9.413 1.00 0.00 C ATOM 0 HA PRO A 15 2.048 3.715 -11.517 1.00 0.00 H new ATOM 0 HB2 PRO A 15 0.188 2.141 -12.753 1.00 0.00 H new ATOM 0 HB3 PRO A 15 1.578 1.388 -11.996 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -1.239 1.659 -10.939 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -0.170 0.272 -10.870 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -0.514 2.010 -8.725 1.00 0.00 H new ATOM 0 HD3 PRO A 15 0.945 1.066 -8.950 1.00 0.00 H new ATOM 221 N ARG A 16 0.313 5.061 -12.700 1.00 0.00 N ATOM 222 CA ARG A 16 -0.554 6.136 -13.166 1.00 0.00 C ATOM 223 C ARG A 16 -2.010 5.682 -13.169 1.00 0.00 C ATOM 224 O ARG A 16 -2.311 4.542 -13.518 1.00 0.00 O ATOM 225 CB ARG A 16 -0.142 6.559 -14.580 1.00 0.00 C ATOM 226 CG ARG A 16 -0.998 7.744 -15.040 1.00 0.00 C ATOM 227 CD ARG A 16 -0.504 8.238 -16.398 1.00 0.00 C ATOM 228 NE ARG A 16 -1.213 9.454 -16.774 1.00 0.00 N ATOM 229 CZ ARG A 16 -0.939 10.086 -17.910 1.00 0.00 C ATOM 230 NH1 ARG A 16 -1.592 11.173 -18.223 1.00 0.00 N ATOM 231 NH2 ARG A 16 -0.021 9.622 -18.712 1.00 0.00 N ATOM 0 H ARG A 16 1.072 4.822 -13.338 1.00 0.00 H new ATOM 0 HA ARG A 16 -0.452 6.985 -12.490 1.00 0.00 H new ATOM 0 HB2 ARG A 16 0.913 6.834 -14.594 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -0.263 5.723 -15.269 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -2.044 7.445 -15.109 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -0.945 8.550 -14.308 1.00 0.00 H new ATOM 0 HD2 ARG A 16 0.568 8.430 -16.356 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -0.660 7.468 -17.153 1.00 0.00 H new ATOM 0 HE ARG A 16 -1.932 9.827 -16.154 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -2.310 11.535 -17.596 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -1.383 11.660 -19.095 1.00 0.00 H new ATOM 0 HH21 ARG A 16 0.488 8.773 -18.467 1.00 0.00 H new ATOM 0 HH22 ARG A 16 0.188 10.109 -19.584 1.00 0.00 H new ATOM 245 N GLY A 17 -2.912 6.584 -12.779 1.00 0.00 N ATOM 246 CA GLY A 17 -4.342 6.269 -12.741 1.00 0.00 C ATOM 247 C GLY A 17 -4.752 5.774 -11.361 1.00 0.00 C ATOM 248 O GLY A 17 -5.893 5.356 -11.159 1.00 0.00 O ATOM 0 H GLY A 17 -2.680 7.533 -12.486 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.921 7.155 -13.001 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.571 5.509 -13.488 1.00 0.00 H new ATOM 252 N VAL A 18 -3.816 5.831 -10.409 1.00 0.00 N ATOM 253 CA VAL A 18 -4.079 5.396 -9.030 1.00 0.00 C ATOM 254 C VAL A 18 -3.620 6.465 -8.051 1.00 0.00 C ATOM 255 O VAL A 18 -2.492 6.953 -8.130 1.00 0.00 O ATOM 256 CB VAL A 18 -3.336 4.089 -8.745 1.00 0.00 C ATOM 257 CG1 VAL A 18 -3.658 3.607 -7.327 1.00 0.00 C ATOM 258 CG2 VAL A 18 -3.769 3.027 -9.761 1.00 0.00 C ATOM 0 H VAL A 18 -2.868 6.174 -10.566 1.00 0.00 H new ATOM 0 HA VAL A 18 -5.150 5.235 -8.910 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.262 4.258 -8.829 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -3.126 2.676 -7.130 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -3.346 4.363 -6.606 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -4.731 3.439 -7.235 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.241 2.095 -9.560 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -4.843 2.861 -9.678 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -3.531 3.369 -10.768 1.00 0.00 H new ATOM 268 N ARG A 19 -4.509 6.827 -7.126 1.00 0.00 N ATOM 269 CA ARG A 19 -4.206 7.850 -6.127 1.00 0.00 C ATOM 270 C ARG A 19 -4.845 7.484 -4.794 1.00 0.00 C ATOM 271 O ARG A 19 -5.832 6.749 -4.753 1.00 0.00 O ATOM 272 CB ARG A 19 -4.734 9.210 -6.610 1.00 0.00 C ATOM 273 CG ARG A 19 -4.437 9.365 -8.106 1.00 0.00 C ATOM 274 CD ARG A 19 -4.813 10.771 -8.553 1.00 0.00 C ATOM 275 NE ARG A 19 -4.634 10.907 -9.997 1.00 0.00 N ATOM 276 CZ ARG A 19 -3.444 11.176 -10.528 1.00 0.00 C ATOM 277 NH1 ARG A 19 -3.322 11.305 -11.818 1.00 0.00 N ATOM 278 NH2 ARG A 19 -2.400 11.306 -9.755 1.00 0.00 N ATOM 0 H ARG A 19 -5.444 6.427 -7.048 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.126 7.911 -5.991 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -5.807 9.281 -6.431 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -4.263 10.017 -6.048 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -3.380 9.180 -8.299 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -4.999 8.627 -8.678 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -5.849 10.980 -8.286 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -4.196 11.503 -8.032 1.00 0.00 H new ATOM 0 HE ARG A 19 -5.440 10.793 -10.612 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -4.138 11.200 -12.421 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -2.410 11.511 -12.226 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -2.497 11.201 -8.745 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -1.487 11.512 -10.161 1.00 0.00 H new ATOM 292 N LEU A 20 -4.287 8.004 -3.704 1.00 0.00 N ATOM 293 CA LEU A 20 -4.820 7.730 -2.369 1.00 0.00 C ATOM 294 C LEU A 20 -5.781 8.841 -1.954 1.00 0.00 C ATOM 295 O LEU A 20 -5.356 9.911 -1.520 1.00 0.00 O ATOM 296 CB LEU A 20 -3.663 7.647 -1.361 1.00 0.00 C ATOM 297 CG LEU A 20 -2.515 6.808 -1.941 1.00 0.00 C ATOM 298 CD1 LEU A 20 -1.431 6.634 -0.871 1.00 0.00 C ATOM 299 CD2 LEU A 20 -3.031 5.430 -2.392 1.00 0.00 C ATOM 0 H LEU A 20 -3.470 8.615 -3.716 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.357 6.782 -2.386 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.306 8.649 -1.122 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.014 7.203 -0.429 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.099 7.321 -2.808 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.612 6.039 -1.276 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.055 7.612 -0.571 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.854 6.127 -0.004 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.205 4.848 -2.801 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.458 4.904 -1.538 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.796 5.561 -3.157 1.00 0.00 H new ATOM 311 N ARG A 21 -7.080 8.577 -2.090 1.00 0.00 N ATOM 312 CA ARG A 21 -8.110 9.555 -1.725 1.00 0.00 C ATOM 313 C ARG A 21 -8.576 9.316 -0.300 1.00 0.00 C ATOM 314 O ARG A 21 -8.746 8.172 0.123 1.00 0.00 O ATOM 315 CB ARG A 21 -9.298 9.438 -2.681 1.00 0.00 C ATOM 316 CG ARG A 21 -8.850 9.842 -4.085 1.00 0.00 C ATOM 317 CD ARG A 21 -10.032 9.751 -5.051 1.00 0.00 C ATOM 318 NE ARG A 21 -9.604 10.127 -6.397 1.00 0.00 N ATOM 319 CZ ARG A 21 -9.533 11.403 -6.772 1.00 0.00 C ATOM 320 NH1 ARG A 21 -9.162 11.705 -7.985 1.00 0.00 N ATOM 321 NH2 ARG A 21 -9.830 12.349 -5.924 1.00 0.00 N ATOM 0 H ARG A 21 -7.446 7.696 -2.450 1.00 0.00 H new ATOM 0 HA ARG A 21 -7.686 10.557 -1.797 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -9.677 8.416 -2.687 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -10.114 10.079 -2.347 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -8.456 10.858 -4.073 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -8.043 9.191 -4.421 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -10.431 8.737 -5.057 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -10.836 10.408 -4.719 1.00 0.00 H new ATOM 0 HE ARG A 21 -9.354 9.396 -7.064 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -8.927 10.964 -8.646 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -9.107 12.682 -8.273 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -10.116 12.111 -4.974 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -9.776 13.326 -6.211 1.00 0.00 H new ATOM 335 N PHE A 22 -8.784 10.402 0.442 1.00 0.00 N ATOM 336 CA PHE A 22 -9.236 10.309 1.831 1.00 0.00 C ATOM 337 C PHE A 22 -10.735 10.565 1.918 1.00 0.00 C ATOM 338 O PHE A 22 -11.212 11.651 1.586 1.00 0.00 O ATOM 339 CB PHE A 22 -8.476 11.325 2.685 1.00 0.00 C ATOM 340 CG PHE A 22 -8.802 12.725 2.213 1.00 0.00 C ATOM 341 CD1 PHE A 22 -9.767 13.491 2.881 1.00 0.00 C ATOM 342 CD2 PHE A 22 -8.142 13.247 1.096 1.00 0.00 C ATOM 343 CE1 PHE A 22 -10.068 14.780 2.430 1.00 0.00 C ATOM 344 CE2 PHE A 22 -8.443 14.538 0.646 1.00 0.00 C ATOM 345 CZ PHE A 22 -9.406 15.305 1.314 1.00 0.00 C ATOM 0 H PHE A 22 -8.647 11.355 0.106 1.00 0.00 H new ATOM 0 HA PHE A 22 -9.036 9.305 2.205 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -8.749 11.211 3.734 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -7.403 11.146 2.613 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -10.277 13.086 3.743 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -7.400 12.654 0.581 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -10.812 15.371 2.943 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -7.933 14.942 -0.216 1.00 0.00 H new ATOM 0 HZ PHE A 22 -9.638 16.301 0.968 1.00 0.00 H new ATOM 355 N ASP A 23 -11.480 9.555 2.368 1.00 0.00 N ATOM 356 CA ASP A 23 -12.932 9.676 2.504 1.00 0.00 C ATOM 357 C ASP A 23 -13.276 10.201 3.893 1.00 0.00 C ATOM 358 O ASP A 23 -13.289 9.446 4.867 1.00 0.00 O ATOM 359 CB ASP A 23 -13.587 8.305 2.288 1.00 0.00 C ATOM 360 CG ASP A 23 -13.476 7.886 0.823 1.00 0.00 C ATOM 361 OD1 ASP A 23 -13.030 8.694 0.024 1.00 0.00 O ATOM 362 OD2 ASP A 23 -13.848 6.764 0.523 1.00 0.00 O ATOM 0 H ASP A 23 -11.104 8.648 2.643 1.00 0.00 H new ATOM 0 HA ASP A 23 -13.307 10.374 1.755 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -13.106 7.561 2.923 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -14.636 8.345 2.583 1.00 0.00 H new ATOM 367 N GLU A 24 -13.544 11.498 3.978 1.00 0.00 N ATOM 368 CA GLU A 24 -13.882 12.118 5.254 1.00 0.00 C ATOM 369 C GLU A 24 -15.181 11.534 5.799 1.00 0.00 C ATOM 370 O GLU A 24 -15.346 11.379 7.009 1.00 0.00 O ATOM 371 CB GLU A 24 -14.027 13.631 5.073 1.00 0.00 C ATOM 372 CG GLU A 24 -14.235 14.298 6.436 1.00 0.00 C ATOM 373 CD GLU A 24 -14.268 15.817 6.281 1.00 0.00 C ATOM 374 OE1 GLU A 24 -14.355 16.280 5.155 1.00 0.00 O ATOM 375 OE2 GLU A 24 -14.206 16.495 7.292 1.00 0.00 O ATOM 0 H GLU A 24 -13.534 12.138 3.184 1.00 0.00 H new ATOM 0 HA GLU A 24 -13.082 11.916 5.966 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -13.137 14.036 4.592 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -14.871 13.849 4.418 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -15.168 13.950 6.881 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -13.432 14.012 7.115 1.00 0.00 H new ATOM 382 N VAL A 25 -16.101 11.217 4.896 1.00 0.00 N ATOM 383 CA VAL A 25 -17.389 10.654 5.293 1.00 0.00 C ATOM 384 C VAL A 25 -17.197 9.294 5.971 1.00 0.00 C ATOM 385 O VAL A 25 -17.836 9.007 6.982 1.00 0.00 O ATOM 386 CB VAL A 25 -18.307 10.510 4.049 1.00 0.00 C ATOM 387 CG1 VAL A 25 -18.985 11.852 3.727 1.00 0.00 C ATOM 388 CG2 VAL A 25 -17.467 10.067 2.832 1.00 0.00 C ATOM 0 H VAL A 25 -15.982 11.338 3.890 1.00 0.00 H new ATOM 0 HA VAL A 25 -17.860 11.329 6.008 1.00 0.00 H new ATOM 0 HB VAL A 25 -19.071 9.763 4.265 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -19.625 11.736 2.853 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -19.587 12.169 4.578 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -18.223 12.604 3.521 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -18.114 9.967 1.960 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -16.698 10.813 2.630 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -16.995 9.108 3.046 1.00 0.00 H new ATOM 398 N ARG A 26 -16.321 8.460 5.411 1.00 0.00 N ATOM 399 CA ARG A 26 -16.064 7.133 5.977 1.00 0.00 C ATOM 400 C ARG A 26 -15.031 7.224 7.099 1.00 0.00 C ATOM 401 O ARG A 26 -14.892 6.299 7.897 1.00 0.00 O ATOM 402 CB ARG A 26 -15.554 6.197 4.880 1.00 0.00 C ATOM 403 CG ARG A 26 -16.642 6.000 3.828 1.00 0.00 C ATOM 404 CD ARG A 26 -16.101 5.114 2.709 1.00 0.00 C ATOM 405 NE ARG A 26 -17.103 4.962 1.663 1.00 0.00 N ATOM 406 CZ ARG A 26 -16.806 4.384 0.505 1.00 0.00 C ATOM 407 NH1 ARG A 26 -17.723 4.263 -0.413 1.00 0.00 N ATOM 408 NH2 ARG A 26 -15.597 3.943 0.287 1.00 0.00 N ATOM 0 H ARG A 26 -15.781 8.676 4.573 1.00 0.00 H new ATOM 0 HA ARG A 26 -16.994 6.739 6.388 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -14.659 6.615 4.418 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -15.272 5.236 5.310 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -17.522 5.541 4.279 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -16.955 6.964 3.426 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -15.194 5.553 2.293 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -15.829 4.137 3.108 1.00 0.00 H new ATOM 0 HE ARG A 26 -18.050 5.306 1.823 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -18.666 4.612 -0.241 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -17.498 3.819 -1.303 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -14.880 4.042 1.006 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -15.369 3.499 -0.602 1.00 0.00 H new ATOM 422 N ASN A 27 -14.318 8.353 7.147 1.00 0.00 N ATOM 423 CA ASN A 27 -13.293 8.591 8.170 1.00 0.00 C ATOM 424 C ASN A 27 -12.089 7.671 7.967 1.00 0.00 C ATOM 425 O ASN A 27 -11.314 7.436 8.893 1.00 0.00 O ATOM 426 CB ASN A 27 -13.887 8.377 9.577 1.00 0.00 C ATOM 427 CG ASN A 27 -13.011 9.039 10.640 1.00 0.00 C ATOM 428 OD1 ASN A 27 -12.536 10.159 10.448 1.00 0.00 O ATOM 429 ND2 ASN A 27 -12.769 8.405 11.754 1.00 0.00 N ATOM 0 H ASN A 27 -14.432 9.121 6.486 1.00 0.00 H new ATOM 0 HA ASN A 27 -12.955 9.623 8.076 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -14.894 8.792 9.619 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -13.973 7.310 9.782 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -12.185 8.837 12.470 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -13.164 7.478 11.909 1.00 0.00 H new ATOM 436 N LYS A 28 -11.935 7.169 6.745 1.00 0.00 N ATOM 437 CA LYS A 28 -10.816 6.281 6.402 1.00 0.00 C ATOM 438 C LYS A 28 -10.368 6.540 4.970 1.00 0.00 C ATOM 439 O LYS A 28 -11.080 7.172 4.189 1.00 0.00 O ATOM 440 CB LYS A 28 -11.237 4.810 6.556 1.00 0.00 C ATOM 441 CG LYS A 28 -12.619 4.608 5.922 1.00 0.00 C ATOM 442 CD LYS A 28 -12.927 3.111 5.779 1.00 0.00 C ATOM 443 CE LYS A 28 -12.880 2.423 7.154 1.00 0.00 C ATOM 444 NZ LYS A 28 -11.465 2.108 7.491 1.00 0.00 N ATOM 0 H LYS A 28 -12.570 7.360 5.970 1.00 0.00 H new ATOM 0 HA LYS A 28 -9.987 6.484 7.080 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -10.506 4.159 6.077 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -11.265 4.536 7.611 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -13.382 5.086 6.537 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -12.651 5.088 4.944 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -13.911 2.976 5.331 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -12.205 2.647 5.107 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -13.312 3.073 7.915 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -13.475 1.510 7.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -11.382 1.100 7.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -10.858 2.317 6.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -11.164 2.686 8.302 1.00 0.00 H new ATOM 458 N HIS A 29 -9.181 6.044 4.633 1.00 0.00 N ATOM 459 CA HIS A 29 -8.631 6.216 3.291 1.00 0.00 C ATOM 460 C HIS A 29 -9.004 5.038 2.416 1.00 0.00 C ATOM 461 O HIS A 29 -9.221 3.933 2.905 1.00 0.00 O ATOM 462 CB HIS A 29 -7.108 6.328 3.368 1.00 0.00 C ATOM 463 CG HIS A 29 -6.733 7.585 4.102 1.00 0.00 C ATOM 464 ND1 HIS A 29 -6.821 7.690 5.481 1.00 0.00 N ATOM 465 CD2 HIS A 29 -6.269 8.798 3.662 1.00 0.00 C ATOM 466 CE1 HIS A 29 -6.420 8.929 5.819 1.00 0.00 C ATOM 467 NE2 HIS A 29 -6.072 9.646 4.747 1.00 0.00 N ATOM 0 H HIS A 29 -8.581 5.520 5.270 1.00 0.00 H new ATOM 0 HA HIS A 29 -9.044 7.127 2.858 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -6.694 5.459 3.879 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -6.683 6.340 2.365 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -6.084 9.056 2.630 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -6.384 9.299 6.833 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -5.734 10.608 4.728 1.00 0.00 H new ATOM 475 N VAL A 30 -9.078 5.281 1.112 1.00 0.00 N ATOM 476 CA VAL A 30 -9.426 4.230 0.156 1.00 0.00 C ATOM 477 C VAL A 30 -8.561 4.355 -1.084 1.00 0.00 C ATOM 478 O VAL A 30 -8.094 5.443 -1.414 1.00 0.00 O ATOM 479 CB VAL A 30 -10.902 4.357 -0.231 1.00 0.00 C ATOM 480 CG1 VAL A 30 -11.774 4.137 1.009 1.00 0.00 C ATOM 481 CG2 VAL A 30 -11.172 5.755 -0.800 1.00 0.00 C ATOM 0 H VAL A 30 -8.903 6.193 0.691 1.00 0.00 H new ATOM 0 HA VAL A 30 -9.254 3.256 0.615 1.00 0.00 H new ATOM 0 HB VAL A 30 -11.141 3.608 -0.986 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -12.825 4.227 0.735 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -11.588 3.142 1.413 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -11.530 4.886 1.763 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -12.224 5.840 -1.074 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -10.931 6.507 -0.048 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -10.553 5.914 -1.683 1.00 0.00 H new ATOM 491 N LEU A 31 -8.360 3.237 -1.782 1.00 0.00 N ATOM 492 CA LEU A 31 -7.558 3.235 -3.005 1.00 0.00 C ATOM 493 C LEU A 31 -8.478 3.284 -4.210 1.00 0.00 C ATOM 494 O LEU A 31 -9.250 2.355 -4.447 1.00 0.00 O ATOM 495 CB LEU A 31 -6.700 1.960 -3.069 1.00 0.00 C ATOM 496 CG LEU A 31 -5.762 1.982 -4.296 1.00 0.00 C ATOM 497 CD1 LEU A 31 -4.768 3.165 -4.214 1.00 0.00 C ATOM 498 CD2 LEU A 31 -4.987 0.658 -4.339 1.00 0.00 C ATOM 0 H LEU A 31 -8.739 2.326 -1.523 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.904 4.107 -3.005 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.109 1.869 -2.157 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.347 1.084 -3.118 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.358 2.106 -5.200 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.120 3.157 -5.090 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.321 4.104 -4.181 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.162 3.069 -3.313 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.319 0.655 -5.200 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.402 0.549 -3.426 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.689 -0.172 -4.422 1.00 0.00 H new ATOM 510 N LEU A 32 -8.387 4.365 -4.978 1.00 0.00 N ATOM 511 CA LEU A 32 -9.213 4.508 -6.172 1.00 0.00 C ATOM 512 C LEU A 32 -8.610 3.687 -7.299 1.00 0.00 C ATOM 513 O LEU A 32 -7.633 4.105 -7.920 1.00 0.00 O ATOM 514 CB LEU A 32 -9.274 5.982 -6.597 1.00 0.00 C ATOM 515 CG LEU A 32 -10.192 6.170 -7.828 1.00 0.00 C ATOM 516 CD1 LEU A 32 -11.643 5.740 -7.506 1.00 0.00 C ATOM 517 CD2 LEU A 32 -10.174 7.648 -8.242 1.00 0.00 C ATOM 0 H LEU A 32 -7.757 5.147 -4.798 1.00 0.00 H new ATOM 0 HA LEU A 32 -10.221 4.157 -5.953 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.643 6.587 -5.769 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -8.271 6.338 -6.830 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.823 5.545 -8.642 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -12.269 5.882 -8.387 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -11.655 4.689 -7.217 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -12.029 6.346 -6.686 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -10.818 7.791 -9.109 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.535 8.261 -7.417 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -9.155 7.943 -8.494 1.00 0.00 H new ATOM 529 N ALA A 33 -9.190 2.516 -7.567 1.00 0.00 N ATOM 530 CA ALA A 33 -8.693 1.643 -8.636 1.00 0.00 C ATOM 531 C ALA A 33 -9.529 1.852 -9.910 1.00 0.00 C ATOM 532 O ALA A 33 -10.745 2.025 -9.816 1.00 0.00 O ATOM 533 CB ALA A 33 -8.791 0.184 -8.192 1.00 0.00 C ATOM 0 H ALA A 33 -9.998 2.151 -7.064 1.00 0.00 H new ATOM 0 HA ALA A 33 -7.652 1.889 -8.846 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -8.422 -0.464 -8.987 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -8.191 0.036 -7.294 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -9.831 -0.062 -7.977 1.00 0.00 H new ATOM 539 N PRO A 34 -8.935 1.832 -11.092 1.00 0.00 N ATOM 540 CA PRO A 34 -9.700 2.014 -12.364 1.00 0.00 C ATOM 541 C PRO A 34 -11.011 1.222 -12.380 1.00 0.00 C ATOM 542 O PRO A 34 -12.003 1.657 -12.964 1.00 0.00 O ATOM 543 CB PRO A 34 -8.733 1.480 -13.438 1.00 0.00 C ATOM 544 CG PRO A 34 -7.363 1.743 -12.889 1.00 0.00 C ATOM 545 CD PRO A 34 -7.488 1.656 -11.355 1.00 0.00 C ATOM 0 HA PRO A 34 -9.998 3.052 -12.515 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -8.889 0.416 -13.617 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -8.881 1.988 -14.391 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -6.647 1.011 -13.263 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -7.004 2.726 -13.195 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -7.130 0.697 -10.981 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -6.898 2.430 -10.864 1.00 0.00 H new ATOM 553 N GLU A 35 -10.995 0.048 -11.755 1.00 0.00 N ATOM 554 CA GLU A 35 -12.173 -0.814 -11.724 1.00 0.00 C ATOM 555 C GLU A 35 -13.219 -0.293 -10.740 1.00 0.00 C ATOM 556 O GLU A 35 -14.385 -0.133 -11.102 1.00 0.00 O ATOM 557 CB GLU A 35 -11.738 -2.242 -11.349 1.00 0.00 C ATOM 558 CG GLU A 35 -11.195 -2.292 -9.908 1.00 0.00 C ATOM 559 CD GLU A 35 -10.428 -3.591 -9.678 1.00 0.00 C ATOM 560 OE1 GLU A 35 -10.916 -4.627 -10.097 1.00 0.00 O ATOM 561 OE2 GLU A 35 -9.362 -3.529 -9.087 1.00 0.00 O ATOM 0 H GLU A 35 -10.183 -0.327 -11.265 1.00 0.00 H new ATOM 0 HA GLU A 35 -12.634 -0.818 -12.712 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -12.585 -2.922 -11.446 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -10.971 -2.587 -12.043 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -10.541 -1.439 -9.728 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -12.019 -2.217 -9.198 1.00 0.00 H new ATOM 568 N ARG A 36 -12.794 -0.029 -9.506 1.00 0.00 N ATOM 569 CA ARG A 36 -13.698 0.461 -8.469 1.00 0.00 C ATOM 570 C ARG A 36 -12.922 0.740 -7.185 1.00 0.00 C ATOM 571 O ARG A 36 -11.913 0.099 -6.909 1.00 0.00 O ATOM 572 CB ARG A 36 -14.778 -0.588 -8.179 1.00 0.00 C ATOM 573 CG ARG A 36 -15.772 -0.040 -7.154 1.00 0.00 C ATOM 574 CD ARG A 36 -16.918 -1.033 -6.980 1.00 0.00 C ATOM 575 NE ARG A 36 -17.859 -0.533 -5.983 1.00 0.00 N ATOM 576 CZ ARG A 36 -17.616 -0.661 -4.680 1.00 0.00 C ATOM 577 NH1 ARG A 36 -18.471 -0.202 -3.810 1.00 0.00 N ATOM 578 NH2 ARG A 36 -16.519 -1.240 -4.277 1.00 0.00 N ATOM 0 H ARG A 36 -11.828 -0.147 -9.200 1.00 0.00 H new ATOM 0 HA ARG A 36 -14.163 1.381 -8.821 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -15.299 -0.851 -9.100 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -14.318 -1.501 -7.801 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -15.273 0.127 -6.200 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -16.158 0.924 -7.485 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -17.428 -1.184 -7.931 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -16.527 -2.002 -6.671 1.00 0.00 H new ATOM 0 HE ARG A 36 -18.718 -0.077 -6.290 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -19.326 0.255 -4.127 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -18.285 -0.300 -2.812 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -15.849 -1.594 -4.960 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -16.331 -1.339 -3.279 1.00 0.00 H new ATOM 592 N THR A 37 -13.414 1.682 -6.392 1.00 0.00 N ATOM 593 CA THR A 37 -12.767 2.021 -5.128 1.00 0.00 C ATOM 594 C THR A 37 -12.918 0.883 -4.124 1.00 0.00 C ATOM 595 O THR A 37 -14.002 0.320 -3.972 1.00 0.00 O ATOM 596 CB THR A 37 -13.396 3.289 -4.553 1.00 0.00 C ATOM 597 OG1 THR A 37 -13.325 4.328 -5.516 1.00 0.00 O ATOM 598 CG2 THR A 37 -12.656 3.710 -3.281 1.00 0.00 C ATOM 0 H THR A 37 -14.254 2.223 -6.598 1.00 0.00 H new ATOM 0 HA THR A 37 -11.706 2.186 -5.316 1.00 0.00 H new ATOM 0 HB THR A 37 -14.439 3.093 -4.305 1.00 0.00 H new ATOM 0 HG1 THR A 37 -13.730 5.142 -5.150 1.00 0.00 H new ATOM 0 HG21 THR A 37 -13.111 4.615 -2.878 1.00 0.00 H new ATOM 0 HG22 THR A 37 -12.720 2.911 -2.542 1.00 0.00 H new ATOM 0 HG23 THR A 37 -11.610 3.904 -3.516 1.00 0.00 H new ATOM 606 N PHE A 38 -11.821 0.549 -3.437 1.00 0.00 N ATOM 607 CA PHE A 38 -11.823 -0.528 -2.434 1.00 0.00 C ATOM 608 C PHE A 38 -11.711 0.058 -1.027 1.00 0.00 C ATOM 609 O PHE A 38 -10.927 0.976 -0.785 1.00 0.00 O ATOM 610 CB PHE A 38 -10.639 -1.474 -2.696 1.00 0.00 C ATOM 611 CG PHE A 38 -10.918 -2.306 -3.935 1.00 0.00 C ATOM 612 CD1 PHE A 38 -10.528 -1.841 -5.198 1.00 0.00 C ATOM 613 CD2 PHE A 38 -11.576 -3.537 -3.818 1.00 0.00 C ATOM 614 CE1 PHE A 38 -10.796 -2.606 -6.339 1.00 0.00 C ATOM 615 CE2 PHE A 38 -11.842 -4.302 -4.958 1.00 0.00 C ATOM 616 CZ PHE A 38 -11.451 -3.837 -6.219 1.00 0.00 C ATOM 0 H PHE A 38 -10.918 1.008 -3.555 1.00 0.00 H new ATOM 0 HA PHE A 38 -12.759 -1.082 -2.510 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -9.723 -0.898 -2.830 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -10.483 -2.125 -1.836 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -10.021 -0.892 -5.291 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -11.879 -3.896 -2.845 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -10.497 -2.246 -7.312 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -12.349 -5.251 -4.866 1.00 0.00 H new ATOM 0 HZ PHE A 38 -11.655 -4.428 -7.100 1.00 0.00 H new ATOM 626 N ASP A 39 -12.501 -0.487 -0.105 1.00 0.00 N ATOM 627 CA ASP A 39 -12.488 -0.025 1.279 1.00 0.00 C ATOM 628 C ASP A 39 -11.213 -0.481 1.978 1.00 0.00 C ATOM 629 O ASP A 39 -10.965 -1.679 2.117 1.00 0.00 O ATOM 630 CB ASP A 39 -13.710 -0.574 2.020 1.00 0.00 C ATOM 631 CG ASP A 39 -13.704 -2.100 1.984 1.00 0.00 C ATOM 632 OD1 ASP A 39 -12.970 -2.655 1.182 1.00 0.00 O ATOM 633 OD2 ASP A 39 -14.437 -2.693 2.758 1.00 0.00 O ATOM 0 H ASP A 39 -13.156 -1.247 -0.291 1.00 0.00 H new ATOM 0 HA ASP A 39 -12.521 1.064 1.285 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -13.705 -0.227 3.053 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -14.623 -0.195 1.561 1.00 0.00 H new ATOM 638 N LEU A 40 -10.401 0.482 2.415 1.00 0.00 N ATOM 639 CA LEU A 40 -9.135 0.182 3.098 1.00 0.00 C ATOM 640 C LEU A 40 -8.984 1.061 4.334 1.00 0.00 C ATOM 641 O LEU A 40 -9.599 2.123 4.437 1.00 0.00 O ATOM 642 CB LEU A 40 -7.960 0.422 2.139 1.00 0.00 C ATOM 643 CG LEU A 40 -7.968 -0.625 0.998 1.00 0.00 C ATOM 644 CD1 LEU A 40 -6.987 -0.180 -0.092 1.00 0.00 C ATOM 645 CD2 LEU A 40 -7.552 -2.023 1.521 1.00 0.00 C ATOM 0 H LEU A 40 -10.594 1.478 2.310 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.138 -0.863 3.408 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.025 1.426 1.720 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -7.019 0.365 2.686 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.979 -0.696 0.596 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.985 -0.911 -0.900 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.292 0.791 -0.482 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.985 -0.103 0.330 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.566 -2.738 0.699 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.547 -1.971 1.939 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.250 -2.345 2.294 1.00 0.00 H new ATOM 657 N ASP A 41 -8.164 0.600 5.277 1.00 0.00 N ATOM 658 CA ASP A 41 -7.928 1.333 6.518 1.00 0.00 C ATOM 659 C ASP A 41 -6.814 2.351 6.316 1.00 0.00 C ATOM 660 O ASP A 41 -5.968 2.194 5.436 1.00 0.00 O ATOM 661 CB ASP A 41 -7.534 0.349 7.623 1.00 0.00 C ATOM 662 CG ASP A 41 -8.719 -0.550 7.972 1.00 0.00 C ATOM 663 OD1 ASP A 41 -9.828 -0.213 7.589 1.00 0.00 O ATOM 664 OD2 ASP A 41 -8.498 -1.562 8.615 1.00 0.00 O ATOM 0 H ASP A 41 -7.652 -0.279 5.204 1.00 0.00 H new ATOM 0 HA ASP A 41 -8.839 1.857 6.805 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -6.690 -0.259 7.296 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -7.209 0.895 8.508 1.00 0.00 H new ATOM 669 N ASP A 42 -6.825 3.396 7.129 1.00 0.00 N ATOM 670 CA ASP A 42 -5.817 4.439 7.027 1.00 0.00 C ATOM 671 C ASP A 42 -4.423 3.858 7.231 1.00 0.00 C ATOM 672 O ASP A 42 -3.469 4.269 6.575 1.00 0.00 O ATOM 673 CB ASP A 42 -6.085 5.520 8.073 1.00 0.00 C ATOM 674 CG ASP A 42 -5.133 6.696 7.876 1.00 0.00 C ATOM 675 OD1 ASP A 42 -4.233 6.580 7.060 1.00 0.00 O ATOM 676 OD2 ASP A 42 -5.320 7.699 8.545 1.00 0.00 O ATOM 0 H ASP A 42 -7.517 3.544 7.863 1.00 0.00 H new ATOM 0 HA ASP A 42 -5.869 4.878 6.030 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -7.117 5.862 7.996 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -5.960 5.106 9.074 1.00 0.00 H new ATOM 681 N ASN A 43 -4.313 2.900 8.144 1.00 0.00 N ATOM 682 CA ASN A 43 -3.027 2.273 8.429 1.00 0.00 C ATOM 683 C ASN A 43 -2.501 1.543 7.194 1.00 0.00 C ATOM 684 O ASN A 43 -1.307 1.576 6.912 1.00 0.00 O ATOM 685 CB ASN A 43 -3.177 1.285 9.595 1.00 0.00 C ATOM 686 CG ASN A 43 -3.416 2.040 10.900 1.00 0.00 C ATOM 687 OD1 ASN A 43 -3.091 3.223 11.001 1.00 0.00 O ATOM 688 ND2 ASN A 43 -3.971 1.424 11.907 1.00 0.00 N ATOM 0 H ASN A 43 -5.092 2.542 8.696 1.00 0.00 H new ATOM 0 HA ASN A 43 -2.313 3.050 8.704 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -4.008 0.607 9.402 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -2.279 0.673 9.680 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -4.137 1.923 12.781 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -4.239 0.444 11.820 1.00 0.00 H new ATOM 695 N ALA A 44 -3.396 0.882 6.469 1.00 0.00 N ATOM 696 CA ALA A 44 -3.002 0.143 5.272 1.00 0.00 C ATOM 697 C ALA A 44 -2.581 1.096 4.159 1.00 0.00 C ATOM 698 O ALA A 44 -1.597 0.850 3.460 1.00 0.00 O ATOM 699 CB ALA A 44 -4.178 -0.710 4.793 1.00 0.00 C ATOM 0 H ALA A 44 -4.392 0.841 6.685 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.154 -0.495 5.521 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.887 -1.263 3.900 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.462 -1.412 5.577 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -5.025 -0.064 4.560 1.00 0.00 H new ATOM 705 N VAL A 45 -3.327 2.185 3.995 1.00 0.00 N ATOM 706 CA VAL A 45 -3.015 3.166 2.958 1.00 0.00 C ATOM 707 C VAL A 45 -1.869 4.060 3.410 1.00 0.00 C ATOM 708 O VAL A 45 -1.136 4.608 2.590 1.00 0.00 O ATOM 709 CB VAL A 45 -4.244 4.029 2.659 1.00 0.00 C ATOM 710 CG1 VAL A 45 -3.929 4.988 1.504 1.00 0.00 C ATOM 711 CG2 VAL A 45 -5.415 3.130 2.267 1.00 0.00 C ATOM 0 H VAL A 45 -4.145 2.410 4.561 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.722 2.632 2.054 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.507 4.604 3.547 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.804 5.602 1.292 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -3.094 5.631 1.782 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.665 4.414 0.616 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.290 3.744 2.054 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -5.151 2.555 1.380 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.641 2.449 3.087 1.00 0.00 H new ATOM 721 N ALA A 46 -1.721 4.205 4.724 1.00 0.00 N ATOM 722 CA ALA A 46 -0.659 5.041 5.268 1.00 0.00 C ATOM 723 C ALA A 46 0.699 4.565 4.754 1.00 0.00 C ATOM 724 O ALA A 46 1.599 5.370 4.511 1.00 0.00 O ATOM 725 CB ALA A 46 -0.683 4.999 6.803 1.00 0.00 C ATOM 0 H ALA A 46 -2.316 3.760 5.423 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.821 6.068 4.942 1.00 0.00 H new ATOM 0 HB1 ALA A 46 0.116 5.628 7.197 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.644 5.366 7.162 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.537 3.973 7.141 1.00 0.00 H new ATOM 731 N VAL A 47 0.837 3.255 4.598 1.00 0.00 N ATOM 732 CA VAL A 47 2.085 2.673 4.121 1.00 0.00 C ATOM 733 C VAL A 47 2.427 3.198 2.729 1.00 0.00 C ATOM 734 O VAL A 47 3.563 3.594 2.467 1.00 0.00 O ATOM 735 CB VAL A 47 1.946 1.145 4.072 1.00 0.00 C ATOM 736 CG1 VAL A 47 3.246 0.510 3.563 1.00 0.00 C ATOM 737 CG2 VAL A 47 1.627 0.615 5.477 1.00 0.00 C ATOM 0 H VAL A 47 0.102 2.576 4.794 1.00 0.00 H new ATOM 0 HA VAL A 47 2.887 2.953 4.805 1.00 0.00 H new ATOM 0 HB VAL A 47 1.137 0.883 3.390 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.134 -0.574 3.533 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.464 0.880 2.561 1.00 0.00 H new ATOM 0 HG13 VAL A 47 4.065 0.772 4.233 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.528 -0.470 5.443 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.433 0.885 6.159 1.00 0.00 H new ATOM 0 HG23 VAL A 47 0.693 1.054 5.828 1.00 0.00 H new ATOM 747 N LEU A 48 1.441 3.185 1.836 1.00 0.00 N ATOM 748 CA LEU A 48 1.650 3.647 0.465 1.00 0.00 C ATOM 749 C LEU A 48 1.659 5.169 0.401 1.00 0.00 C ATOM 750 O LEU A 48 2.118 5.754 -0.579 1.00 0.00 O ATOM 751 CB LEU A 48 0.544 3.104 -0.438 1.00 0.00 C ATOM 752 CG LEU A 48 0.394 1.588 -0.240 1.00 0.00 C ATOM 753 CD1 LEU A 48 -0.703 1.070 -1.178 1.00 0.00 C ATOM 754 CD2 LEU A 48 1.726 0.866 -0.542 1.00 0.00 C ATOM 0 H LEU A 48 0.494 2.862 2.034 1.00 0.00 H new ATOM 0 HA LEU A 48 2.617 3.279 0.123 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.398 3.603 -0.211 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.777 3.321 -1.481 1.00 0.00 H new ATOM 0 HG LEU A 48 0.123 1.387 0.797 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.817 -0.006 -1.045 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -1.645 1.566 -0.945 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.427 1.281 -2.211 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.600 -0.207 -0.396 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.019 1.060 -1.574 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.500 1.235 0.131 1.00 0.00 H new ATOM 766 N LYS A 49 1.157 5.807 1.452 1.00 0.00 N ATOM 767 CA LYS A 49 1.124 7.270 1.519 1.00 0.00 C ATOM 768 C LYS A 49 2.413 7.809 2.139 1.00 0.00 C ATOM 769 O LYS A 49 2.858 8.907 1.808 1.00 0.00 O ATOM 770 CB LYS A 49 -0.080 7.722 2.357 1.00 0.00 C ATOM 771 CG LYS A 49 -0.335 9.221 2.148 1.00 0.00 C ATOM 772 CD LYS A 49 -1.594 9.649 2.922 1.00 0.00 C ATOM 773 CE LYS A 49 -2.867 8.982 2.344 1.00 0.00 C ATOM 774 NZ LYS A 49 -3.193 7.773 3.150 1.00 0.00 N ATOM 0 H LYS A 49 0.767 5.339 2.270 1.00 0.00 H new ATOM 0 HA LYS A 49 1.033 7.663 0.506 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.965 7.152 2.074 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.105 7.520 3.412 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.526 9.797 2.489 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.460 9.433 1.086 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -1.486 9.380 3.973 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -1.698 10.733 2.879 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -3.701 9.683 2.364 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -2.707 8.707 1.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -4.007 7.283 2.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -2.373 7.134 3.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -3.428 8.057 4.123 1.00 0.00 H new ATOM 788 N LEU A 50 2.989 7.037 3.061 1.00 0.00 N ATOM 789 CA LEU A 50 4.209 7.464 3.745 1.00 0.00 C ATOM 790 C LEU A 50 5.405 7.426 2.795 1.00 0.00 C ATOM 791 O LEU A 50 6.323 8.238 2.908 1.00 0.00 O ATOM 792 CB LEU A 50 4.483 6.530 4.944 1.00 0.00 C ATOM 793 CG LEU A 50 5.565 7.144 5.882 1.00 0.00 C ATOM 794 CD1 LEU A 50 4.905 8.035 6.945 1.00 0.00 C ATOM 795 CD2 LEU A 50 6.344 6.027 6.597 1.00 0.00 C ATOM 0 H LEU A 50 2.636 6.124 3.349 1.00 0.00 H new ATOM 0 HA LEU A 50 4.069 8.488 4.093 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.561 6.366 5.502 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.816 5.556 4.585 1.00 0.00 H new ATOM 0 HG LEU A 50 6.245 7.738 5.271 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.673 8.457 7.593 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.359 8.842 6.456 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.214 7.439 7.541 1.00 0.00 H new ATOM 0 HD21 LEU A 50 7.097 6.469 7.249 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.656 5.427 7.192 1.00 0.00 H new ATOM 0 HD23 LEU A 50 6.832 5.393 5.857 1.00 0.00 H new ATOM 807 N VAL A 51 5.383 6.485 1.855 1.00 0.00 N ATOM 808 CA VAL A 51 6.472 6.355 0.890 1.00 0.00 C ATOM 809 C VAL A 51 6.410 7.485 -0.138 1.00 0.00 C ATOM 810 O VAL A 51 5.385 7.699 -0.783 1.00 0.00 O ATOM 811 CB VAL A 51 6.402 4.985 0.191 1.00 0.00 C ATOM 812 CG1 VAL A 51 5.042 4.801 -0.494 1.00 0.00 C ATOM 813 CG2 VAL A 51 7.519 4.878 -0.854 1.00 0.00 C ATOM 0 H VAL A 51 4.630 5.806 1.741 1.00 0.00 H new ATOM 0 HA VAL A 51 7.421 6.425 1.422 1.00 0.00 H new ATOM 0 HB VAL A 51 6.528 4.205 0.942 1.00 0.00 H new ATOM 0 HG11 VAL A 51 5.010 3.827 -0.983 1.00 0.00 H new ATOM 0 HG12 VAL A 51 4.249 4.859 0.251 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.900 5.585 -1.237 1.00 0.00 H new ATOM 0 HG21 VAL A 51 7.465 3.907 -1.346 1.00 0.00 H new ATOM 0 HG22 VAL A 51 7.400 5.668 -1.596 1.00 0.00 H new ATOM 0 HG23 VAL A 51 8.487 4.983 -0.364 1.00 0.00 H new ATOM 823 N ASP A 52 7.520 8.200 -0.285 1.00 0.00 N ATOM 824 CA ASP A 52 7.592 9.298 -1.242 1.00 0.00 C ATOM 825 C ASP A 52 7.605 8.754 -2.673 1.00 0.00 C ATOM 826 O ASP A 52 6.955 9.303 -3.562 1.00 0.00 O ATOM 827 CB ASP A 52 8.849 10.137 -0.982 1.00 0.00 C ATOM 828 CG ASP A 52 8.723 10.879 0.349 1.00 0.00 C ATOM 829 OD1 ASP A 52 7.625 10.927 0.881 1.00 0.00 O ATOM 830 OD2 ASP A 52 9.726 11.391 0.817 1.00 0.00 O ATOM 0 H ASP A 52 8.378 8.040 0.243 1.00 0.00 H new ATOM 0 HA ASP A 52 6.713 9.931 -1.119 1.00 0.00 H new ATOM 0 HB2 ASP A 52 9.728 9.493 -0.966 1.00 0.00 H new ATOM 0 HB3 ASP A 52 8.992 10.851 -1.793 1.00 0.00 H new ATOM 835 N GLY A 53 8.355 7.665 -2.882 1.00 0.00 N ATOM 836 CA GLY A 53 8.462 7.031 -4.205 1.00 0.00 C ATOM 837 C GLY A 53 8.645 5.526 -4.064 1.00 0.00 C ATOM 838 O GLY A 53 7.672 4.792 -3.894 1.00 0.00 O ATOM 0 H GLY A 53 8.898 7.203 -2.152 1.00 0.00 H new ATOM 0 HA2 GLY A 53 7.566 7.241 -4.789 1.00 0.00 H new ATOM 0 HA3 GLY A 53 9.304 7.456 -4.751 1.00 0.00 H new ATOM 842 N ARG A 54 9.901 5.065 -4.145 1.00 0.00 N ATOM 843 CA ARG A 54 10.202 3.632 -4.019 1.00 0.00 C ATOM 844 C ARG A 54 11.028 3.377 -2.763 1.00 0.00 C ATOM 845 O ARG A 54 12.228 3.642 -2.736 1.00 0.00 O ATOM 846 CB ARG A 54 11.010 3.197 -5.245 1.00 0.00 C ATOM 847 CG ARG A 54 10.181 3.445 -6.507 1.00 0.00 C ATOM 848 CD ARG A 54 11.016 3.112 -7.743 1.00 0.00 C ATOM 849 NE ARG A 54 11.291 1.683 -7.789 1.00 0.00 N ATOM 850 CZ ARG A 54 12.111 1.169 -8.698 1.00 0.00 C ATOM 851 NH1 ARG A 54 12.335 -0.117 -8.721 1.00 0.00 N ATOM 852 NH2 ARG A 54 12.696 1.949 -9.565 1.00 0.00 N ATOM 0 H ARG A 54 10.718 5.657 -4.296 1.00 0.00 H new ATOM 0 HA ARG A 54 9.272 3.068 -3.952 1.00 0.00 H new ATOM 0 HB2 ARG A 54 11.946 3.754 -5.295 1.00 0.00 H new ATOM 0 HB3 ARG A 54 11.271 2.141 -5.168 1.00 0.00 H new ATOM 0 HG2 ARG A 54 9.280 2.832 -6.489 1.00 0.00 H new ATOM 0 HG3 ARG A 54 9.858 4.485 -6.543 1.00 0.00 H new ATOM 0 HD2 ARG A 54 10.484 3.417 -8.644 1.00 0.00 H new ATOM 0 HD3 ARG A 54 11.952 3.670 -7.721 1.00 0.00 H new ATOM 0 HE ARG A 54 10.846 1.065 -7.110 1.00 0.00 H new ATOM 0 HH11 ARG A 54 11.880 -0.726 -8.041 1.00 0.00 H new ATOM 0 HH12 ARG A 54 12.965 -0.513 -9.419 1.00 0.00 H new ATOM 0 HH21 ARG A 54 12.523 2.954 -9.545 1.00 0.00 H new ATOM 0 HH22 ARG A 54 13.326 1.554 -10.263 1.00 0.00 H new ATOM 866 N ASN A 55 10.377 2.827 -1.733 1.00 0.00 N ATOM 867 CA ASN A 55 11.044 2.489 -0.464 1.00 0.00 C ATOM 868 C ASN A 55 10.985 0.985 -0.224 1.00 0.00 C ATOM 869 O ASN A 55 10.027 0.320 -0.619 1.00 0.00 O ATOM 870 CB ASN A 55 10.382 3.244 0.704 1.00 0.00 C ATOM 871 CG ASN A 55 10.793 4.718 0.687 1.00 0.00 C ATOM 872 OD1 ASN A 55 11.745 5.093 0.003 1.00 0.00 O ATOM 873 ND2 ASN A 55 10.130 5.579 1.410 1.00 0.00 N ATOM 0 H ASN A 55 9.382 2.604 -1.751 1.00 0.00 H new ATOM 0 HA ASN A 55 12.089 2.792 -0.525 1.00 0.00 H new ATOM 0 HB2 ASN A 55 9.298 3.161 0.631 1.00 0.00 H new ATOM 0 HB3 ASN A 55 10.673 2.789 1.651 1.00 0.00 H new ATOM 0 HD21 ASN A 55 10.401 6.562 1.408 1.00 0.00 H new ATOM 0 HD22 ASN A 55 9.341 5.268 1.977 1.00 0.00 H new ATOM 880 N THR A 56 12.005 0.460 0.447 1.00 0.00 N ATOM 881 CA THR A 56 12.055 -0.967 0.764 1.00 0.00 C ATOM 882 C THR A 56 11.201 -1.251 1.993 1.00 0.00 C ATOM 883 O THR A 56 11.195 -0.476 2.947 1.00 0.00 O ATOM 884 CB THR A 56 13.499 -1.386 1.030 1.00 0.00 C ATOM 885 OG1 THR A 56 13.953 -0.776 2.230 1.00 0.00 O ATOM 886 CG2 THR A 56 14.379 -0.939 -0.138 1.00 0.00 C ATOM 0 H THR A 56 12.806 0.996 0.781 1.00 0.00 H new ATOM 0 HA THR A 56 11.667 -1.536 -0.081 1.00 0.00 H new ATOM 0 HB THR A 56 13.554 -2.470 1.132 1.00 0.00 H new ATOM 0 HG1 THR A 56 14.879 -1.045 2.404 1.00 0.00 H new ATOM 0 HG21 THR A 56 15.411 -1.237 0.049 1.00 0.00 H new ATOM 0 HG22 THR A 56 14.028 -1.406 -1.058 1.00 0.00 H new ATOM 0 HG23 THR A 56 14.327 0.145 -0.239 1.00 0.00 H new ATOM 894 N VAL A 57 10.480 -2.364 1.965 1.00 0.00 N ATOM 895 CA VAL A 57 9.621 -2.730 3.085 1.00 0.00 C ATOM 896 C VAL A 57 10.424 -2.767 4.380 1.00 0.00 C ATOM 897 O VAL A 57 9.948 -2.339 5.431 1.00 0.00 O ATOM 898 CB VAL A 57 8.989 -4.101 2.824 1.00 0.00 C ATOM 899 CG1 VAL A 57 8.237 -4.059 1.490 1.00 0.00 C ATOM 900 CG2 VAL A 57 10.085 -5.179 2.765 1.00 0.00 C ATOM 0 H VAL A 57 10.472 -3.024 1.187 1.00 0.00 H new ATOM 0 HA VAL A 57 8.834 -1.982 3.184 1.00 0.00 H new ATOM 0 HB VAL A 57 8.297 -4.343 3.631 1.00 0.00 H new ATOM 0 HG11 VAL A 57 7.784 -5.031 1.297 1.00 0.00 H new ATOM 0 HG12 VAL A 57 7.458 -3.298 1.535 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.933 -3.817 0.687 1.00 0.00 H new ATOM 0 HG21 VAL A 57 9.629 -6.152 2.579 1.00 0.00 H new ATOM 0 HG22 VAL A 57 10.782 -4.945 1.960 1.00 0.00 H new ATOM 0 HG23 VAL A 57 10.621 -5.205 3.714 1.00 0.00 H new ATOM 910 N SER A 58 11.645 -3.280 4.295 1.00 0.00 N ATOM 911 CA SER A 58 12.504 -3.367 5.466 1.00 0.00 C ATOM 912 C SER A 58 12.704 -1.988 6.086 1.00 0.00 C ATOM 913 O SER A 58 12.642 -1.834 7.305 1.00 0.00 O ATOM 914 CB SER A 58 13.859 -3.956 5.076 1.00 0.00 C ATOM 915 OG SER A 58 13.671 -5.279 4.591 1.00 0.00 O ATOM 0 H SER A 58 12.059 -3.639 3.435 1.00 0.00 H new ATOM 0 HA SER A 58 12.025 -4.016 6.199 1.00 0.00 H new ATOM 0 HB2 SER A 58 14.331 -3.339 4.311 1.00 0.00 H new ATOM 0 HB3 SER A 58 14.527 -3.963 5.937 1.00 0.00 H new ATOM 0 HG SER A 58 14.537 -5.661 4.338 1.00 0.00 H new ATOM 921 N GLN A 59 12.947 -0.988 5.244 1.00 0.00 N ATOM 922 CA GLN A 59 13.157 0.371 5.732 1.00 0.00 C ATOM 923 C GLN A 59 11.883 0.914 6.373 1.00 0.00 C ATOM 924 O GLN A 59 11.914 1.454 7.478 1.00 0.00 O ATOM 925 CB GLN A 59 13.578 1.278 4.575 1.00 0.00 C ATOM 926 CG GLN A 59 13.926 2.670 5.110 1.00 0.00 C ATOM 927 CD GLN A 59 14.494 3.528 3.988 1.00 0.00 C ATOM 928 OE1 GLN A 59 13.811 3.792 2.999 1.00 0.00 O ATOM 929 NE2 GLN A 59 15.714 3.979 4.081 1.00 0.00 N ATOM 0 H GLN A 59 13.003 -1.091 4.231 1.00 0.00 H new ATOM 0 HA GLN A 59 13.946 0.351 6.484 1.00 0.00 H new ATOM 0 HB2 GLN A 59 14.438 0.851 4.060 1.00 0.00 H new ATOM 0 HB3 GLN A 59 12.772 1.350 3.845 1.00 0.00 H new ATOM 0 HG2 GLN A 59 13.036 3.142 5.526 1.00 0.00 H new ATOM 0 HG3 GLN A 59 14.651 2.587 5.920 1.00 0.00 H new ATOM 0 HE21 GLN A 59 16.278 3.759 4.902 1.00 0.00 H new ATOM 0 HE22 GLN A 59 16.104 4.552 3.333 1.00 0.00 H new ATOM 938 N ILE A 60 10.763 0.755 5.675 1.00 0.00 N ATOM 939 CA ILE A 60 9.482 1.223 6.190 1.00 0.00 C ATOM 940 C ILE A 60 9.168 0.540 7.511 1.00 0.00 C ATOM 941 O ILE A 60 8.666 1.167 8.437 1.00 0.00 O ATOM 942 CB ILE A 60 8.358 0.960 5.180 1.00 0.00 C ATOM 943 CG1 ILE A 60 8.715 1.610 3.832 1.00 0.00 C ATOM 944 CG2 ILE A 60 7.043 1.552 5.709 1.00 0.00 C ATOM 945 CD1 ILE A 60 7.725 1.158 2.756 1.00 0.00 C ATOM 0 H ILE A 60 10.716 0.309 4.759 1.00 0.00 H new ATOM 0 HA ILE A 60 9.551 2.299 6.353 1.00 0.00 H new ATOM 0 HB ILE A 60 8.239 -0.114 5.041 1.00 0.00 H new ATOM 0 HG12 ILE A 60 8.693 2.696 3.925 1.00 0.00 H new ATOM 0 HG13 ILE A 60 9.729 1.335 3.543 1.00 0.00 H new ATOM 0 HG21 ILE A 60 6.245 1.365 4.991 1.00 0.00 H new ATOM 0 HG22 ILE A 60 6.791 1.085 6.661 1.00 0.00 H new ATOM 0 HG23 ILE A 60 7.159 2.627 5.851 1.00 0.00 H new ATOM 0 HD11 ILE A 60 7.984 1.622 1.805 1.00 0.00 H new ATOM 0 HD12 ILE A 60 7.768 0.074 2.654 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.716 1.456 3.042 1.00 0.00 H new ATOM 957 N ALA A 61 9.458 -0.750 7.592 1.00 0.00 N ATOM 958 CA ALA A 61 9.191 -1.495 8.812 1.00 0.00 C ATOM 959 C ALA A 61 9.871 -0.831 10.007 1.00 0.00 C ATOM 960 O ALA A 61 9.279 -0.706 11.080 1.00 0.00 O ATOM 961 CB ALA A 61 9.694 -2.930 8.669 1.00 0.00 C ATOM 0 H ALA A 61 9.873 -1.297 6.837 1.00 0.00 H new ATOM 0 HA ALA A 61 8.114 -1.504 8.980 1.00 0.00 H new ATOM 0 HB1 ALA A 61 9.490 -3.480 9.587 1.00 0.00 H new ATOM 0 HB2 ALA A 61 9.184 -3.413 7.836 1.00 0.00 H new ATOM 0 HB3 ALA A 61 10.768 -2.922 8.482 1.00 0.00 H new ATOM 967 N GLN A 62 11.113 -0.406 9.809 1.00 0.00 N ATOM 968 CA GLN A 62 11.868 0.246 10.871 1.00 0.00 C ATOM 969 C GLN A 62 11.217 1.566 11.275 1.00 0.00 C ATOM 970 O GLN A 62 10.903 1.780 12.442 1.00 0.00 O ATOM 971 CB GLN A 62 13.298 0.521 10.390 1.00 0.00 C ATOM 972 CG GLN A 62 14.042 -0.796 10.155 1.00 0.00 C ATOM 973 CD GLN A 62 14.309 -1.500 11.479 1.00 0.00 C ATOM 974 OE1 GLN A 62 14.603 -0.851 12.483 1.00 0.00 O ATOM 975 NE2 GLN A 62 14.233 -2.799 11.537 1.00 0.00 N ATOM 0 H GLN A 62 11.617 -0.501 8.927 1.00 0.00 H new ATOM 0 HA GLN A 62 11.882 -0.417 11.736 1.00 0.00 H new ATOM 0 HB2 GLN A 62 13.273 1.102 9.468 1.00 0.00 H new ATOM 0 HB3 GLN A 62 13.829 1.120 11.130 1.00 0.00 H new ATOM 0 HG2 GLN A 62 13.453 -1.443 9.505 1.00 0.00 H new ATOM 0 HG3 GLN A 62 14.984 -0.602 9.643 1.00 0.00 H new ATOM 0 HE21 GLN A 62 13.989 -3.333 10.703 1.00 0.00 H new ATOM 0 HE22 GLN A 62 14.417 -3.282 12.416 1.00 0.00 H new ATOM 984 N ILE A 63 11.029 2.450 10.302 1.00 0.00 N ATOM 985 CA ILE A 63 10.432 3.754 10.574 1.00 0.00 C ATOM 986 C ILE A 63 8.992 3.602 11.052 1.00 0.00 C ATOM 987 O ILE A 63 8.595 4.194 12.055 1.00 0.00 O ATOM 988 CB ILE A 63 10.461 4.610 9.300 1.00 0.00 C ATOM 989 CG1 ILE A 63 11.911 4.739 8.801 1.00 0.00 C ATOM 990 CG2 ILE A 63 9.893 6.006 9.602 1.00 0.00 C ATOM 991 CD1 ILE A 63 11.927 5.380 7.410 1.00 0.00 C ATOM 0 H ILE A 63 11.278 2.291 9.326 1.00 0.00 H new ATOM 0 HA ILE A 63 11.010 4.241 11.360 1.00 0.00 H new ATOM 0 HB ILE A 63 9.854 4.134 8.530 1.00 0.00 H new ATOM 0 HG12 ILE A 63 12.492 5.344 9.497 1.00 0.00 H new ATOM 0 HG13 ILE A 63 12.381 3.756 8.764 1.00 0.00 H new ATOM 0 HG21 ILE A 63 9.915 6.612 8.696 1.00 0.00 H new ATOM 0 HG22 ILE A 63 8.865 5.913 9.951 1.00 0.00 H new ATOM 0 HG23 ILE A 63 10.496 6.485 10.373 1.00 0.00 H new ATOM 0 HD11 ILE A 63 12.956 5.469 7.062 1.00 0.00 H new ATOM 0 HD12 ILE A 63 11.362 4.758 6.716 1.00 0.00 H new ATOM 0 HD13 ILE A 63 11.474 6.370 7.461 1.00 0.00 H new ATOM 1003 N LEU A 64 8.217 2.811 10.320 1.00 0.00 N ATOM 1004 CA LEU A 64 6.816 2.588 10.662 1.00 0.00 C ATOM 1005 C LEU A 64 6.705 1.798 11.964 1.00 0.00 C ATOM 1006 O LEU A 64 5.808 2.037 12.769 1.00 0.00 O ATOM 1007 CB LEU A 64 6.109 1.837 9.521 1.00 0.00 C ATOM 1008 CG LEU A 64 4.581 1.818 9.751 1.00 0.00 C ATOM 1009 CD1 LEU A 64 3.992 3.255 9.675 1.00 0.00 C ATOM 1010 CD2 LEU A 64 3.928 0.931 8.680 1.00 0.00 C ATOM 0 H LEU A 64 8.533 2.314 9.487 1.00 0.00 H new ATOM 0 HA LEU A 64 6.331 3.554 10.802 1.00 0.00 H new ATOM 0 HB2 LEU A 64 6.333 2.316 8.568 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.486 0.816 9.461 1.00 0.00 H new ATOM 0 HG LEU A 64 4.376 1.419 10.744 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.915 3.216 9.840 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.454 3.879 10.440 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.193 3.679 8.691 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.849 0.910 8.833 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.147 1.334 7.691 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.324 -0.082 8.755 1.00 0.00 H new ATOM 1022 N GLY A 65 7.617 0.850 12.165 1.00 0.00 N ATOM 1023 CA GLY A 65 7.595 0.032 13.375 1.00 0.00 C ATOM 1024 C GLY A 65 7.662 0.900 14.626 1.00 0.00 C ATOM 1025 O GLY A 65 6.969 0.639 15.609 1.00 0.00 O ATOM 0 H GLY A 65 8.372 0.631 11.515 1.00 0.00 H new ATOM 0 HA2 GLY A 65 6.686 -0.570 13.394 1.00 0.00 H new ATOM 0 HA3 GLY A 65 8.436 -0.661 13.364 1.00 0.00 H new ATOM 1029 N GLN A 66 8.491 1.934 14.584 1.00 0.00 N ATOM 1030 CA GLN A 66 8.630 2.833 15.725 1.00 0.00 C ATOM 1031 C GLN A 66 7.314 3.569 15.986 1.00 0.00 C ATOM 1032 O GLN A 66 6.992 3.891 17.129 1.00 0.00 O ATOM 1033 CB GLN A 66 9.747 3.850 15.458 1.00 0.00 C ATOM 1034 CG GLN A 66 11.104 3.143 15.459 1.00 0.00 C ATOM 1035 CD GLN A 66 12.205 4.129 15.086 1.00 0.00 C ATOM 1036 OE1 GLN A 66 12.269 5.226 15.639 1.00 0.00 O ATOM 1037 NE2 GLN A 66 13.077 3.804 14.171 1.00 0.00 N ATOM 0 H GLN A 66 9.073 2.171 13.781 1.00 0.00 H new ATOM 0 HA GLN A 66 8.884 2.242 16.605 1.00 0.00 H new ATOM 0 HB2 GLN A 66 9.583 4.340 14.498 1.00 0.00 H new ATOM 0 HB3 GLN A 66 9.732 4.629 16.221 1.00 0.00 H new ATOM 0 HG2 GLN A 66 11.302 2.719 16.444 1.00 0.00 H new ATOM 0 HG3 GLN A 66 11.092 2.314 14.752 1.00 0.00 H new ATOM 0 HE21 GLN A 66 13.022 2.894 13.714 1.00 0.00 H new ATOM 0 HE22 GLN A 66 13.814 4.460 13.913 1.00 0.00 H new ATOM 1046 N THR A 67 6.557 3.829 14.922 1.00 0.00 N ATOM 1047 CA THR A 67 5.286 4.531 15.062 1.00 0.00 C ATOM 1048 C THR A 67 4.312 3.712 15.907 1.00 0.00 C ATOM 1049 O THR A 67 3.676 4.237 16.821 1.00 0.00 O ATOM 1050 CB THR A 67 4.674 4.790 13.678 1.00 0.00 C ATOM 1051 OG1 THR A 67 5.654 5.375 12.833 1.00 0.00 O ATOM 1052 CG2 THR A 67 3.479 5.738 13.808 1.00 0.00 C ATOM 0 H THR A 67 6.798 3.568 13.966 1.00 0.00 H new ATOM 0 HA THR A 67 5.471 5.483 15.560 1.00 0.00 H new ATOM 0 HB THR A 67 4.337 3.846 13.250 1.00 0.00 H new ATOM 0 HG1 THR A 67 5.267 5.540 11.948 1.00 0.00 H new ATOM 0 HG21 THR A 67 3.049 5.918 12.823 1.00 0.00 H new ATOM 0 HG22 THR A 67 2.727 5.288 14.456 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.810 6.683 14.238 1.00 0.00 H new ATOM 1060 N TYR A 68 4.209 2.418 15.602 1.00 0.00 N ATOM 1061 CA TYR A 68 3.314 1.519 16.338 1.00 0.00 C ATOM 1062 C TYR A 68 4.054 0.873 17.504 1.00 0.00 C ATOM 1063 O TYR A 68 3.473 0.099 18.266 1.00 0.00 O ATOM 1064 CB TYR A 68 2.786 0.429 15.397 1.00 0.00 C ATOM 1065 CG TYR A 68 1.875 1.053 14.358 1.00 0.00 C ATOM 1066 CD1 TYR A 68 2.402 1.508 13.143 1.00 0.00 C ATOM 1067 CD2 TYR A 68 0.503 1.181 14.615 1.00 0.00 C ATOM 1068 CE1 TYR A 68 1.559 2.088 12.189 1.00 0.00 C ATOM 1069 CE2 TYR A 68 -0.339 1.761 13.659 1.00 0.00 C ATOM 1070 CZ TYR A 68 0.190 2.215 12.446 1.00 0.00 C ATOM 1071 OH TYR A 68 -0.639 2.788 11.503 1.00 0.00 O ATOM 0 H TYR A 68 4.733 1.968 14.852 1.00 0.00 H new ATOM 0 HA TYR A 68 2.478 2.099 16.728 1.00 0.00 H new ATOM 0 HB2 TYR A 68 3.618 -0.078 14.908 1.00 0.00 H new ATOM 0 HB3 TYR A 68 2.243 -0.325 15.966 1.00 0.00 H new ATOM 0 HD1 TYR A 68 3.459 1.411 12.943 1.00 0.00 H new ATOM 0 HD2 TYR A 68 0.095 0.832 15.552 1.00 0.00 H new ATOM 0 HE1 TYR A 68 1.966 2.438 11.252 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -1.396 1.858 13.858 1.00 0.00 H new ATOM 0 HH TYR A 68 -1.452 3.119 11.940 1.00 0.00 H new ATOM 1081 N ASP A 69 5.336 1.196 17.644 1.00 0.00 N ATOM 1082 CA ASP A 69 6.136 0.642 18.731 1.00 0.00 C ATOM 1083 C ASP A 69 6.045 -0.880 18.744 1.00 0.00 C ATOM 1084 O ASP A 69 5.707 -1.478 19.763 1.00 0.00 O ATOM 1085 CB ASP A 69 5.645 1.194 20.071 1.00 0.00 C ATOM 1086 CG ASP A 69 6.601 0.790 21.190 1.00 0.00 C ATOM 1087 OD1 ASP A 69 7.351 -0.152 20.993 1.00 0.00 O ATOM 1088 OD2 ASP A 69 6.569 1.430 22.228 1.00 0.00 O ATOM 0 H ASP A 69 5.839 1.832 17.025 1.00 0.00 H new ATOM 0 HA ASP A 69 7.176 0.930 18.575 1.00 0.00 H new ATOM 0 HB2 ASP A 69 5.572 2.280 20.020 1.00 0.00 H new ATOM 0 HB3 ASP A 69 4.645 0.817 20.283 1.00 0.00 H new ATOM 1093 N ALA A 70 6.348 -1.502 17.605 1.00 0.00 N ATOM 1094 CA ALA A 70 6.292 -2.964 17.485 1.00 0.00 C ATOM 1095 C ALA A 70 7.463 -3.466 16.652 1.00 0.00 C ATOM 1096 O ALA A 70 8.104 -2.694 15.937 1.00 0.00 O ATOM 1097 CB ALA A 70 4.974 -3.384 16.835 1.00 0.00 C ATOM 0 H ALA A 70 6.634 -1.020 16.753 1.00 0.00 H new ATOM 0 HA ALA A 70 6.353 -3.402 18.481 1.00 0.00 H new ATOM 0 HB1 ALA A 70 4.940 -4.470 16.750 1.00 0.00 H new ATOM 0 HB2 ALA A 70 4.141 -3.042 17.449 1.00 0.00 H new ATOM 0 HB3 ALA A 70 4.900 -2.940 15.842 1.00 0.00 H new ATOM 1103 N ASP A 71 7.748 -4.761 16.756 1.00 0.00 N ATOM 1104 CA ASP A 71 8.860 -5.341 16.018 1.00 0.00 C ATOM 1105 C ASP A 71 8.694 -5.080 14.508 1.00 0.00 C ATOM 1106 O ASP A 71 7.598 -5.251 13.985 1.00 0.00 O ATOM 1107 CB ASP A 71 8.920 -6.852 16.275 1.00 0.00 C ATOM 1108 CG ASP A 71 9.290 -7.121 17.733 1.00 0.00 C ATOM 1109 OD1 ASP A 71 10.082 -6.366 18.272 1.00 0.00 O ATOM 1110 OD2 ASP A 71 8.773 -8.077 18.288 1.00 0.00 O ATOM 0 H ASP A 71 7.230 -5.420 17.337 1.00 0.00 H new ATOM 0 HA ASP A 71 9.786 -4.877 16.357 1.00 0.00 H new ATOM 0 HB2 ASP A 71 7.956 -7.306 16.046 1.00 0.00 H new ATOM 0 HB3 ASP A 71 9.654 -7.313 15.614 1.00 0.00 H new ATOM 1115 N PRO A 72 9.734 -4.667 13.800 1.00 0.00 N ATOM 1116 CA PRO A 72 9.644 -4.378 12.329 1.00 0.00 C ATOM 1117 C PRO A 72 9.370 -5.635 11.496 1.00 0.00 C ATOM 1118 O PRO A 72 8.734 -5.559 10.448 1.00 0.00 O ATOM 1119 CB PRO A 72 11.010 -3.748 11.986 1.00 0.00 C ATOM 1120 CG PRO A 72 11.939 -4.245 13.048 1.00 0.00 C ATOM 1121 CD PRO A 72 11.096 -4.442 14.308 1.00 0.00 C ATOM 0 HA PRO A 72 8.808 -3.719 12.096 1.00 0.00 H new ATOM 0 HB2 PRO A 72 11.346 -4.049 10.994 1.00 0.00 H new ATOM 0 HB3 PRO A 72 10.955 -2.659 11.987 1.00 0.00 H new ATOM 0 HG2 PRO A 72 12.408 -5.181 12.745 1.00 0.00 H new ATOM 0 HG3 PRO A 72 12.742 -3.529 13.227 1.00 0.00 H new ATOM 0 HD2 PRO A 72 11.448 -5.291 14.894 1.00 0.00 H new ATOM 0 HD3 PRO A 72 11.139 -3.567 14.957 1.00 0.00 H new ATOM 1129 N ALA A 73 9.860 -6.778 11.964 1.00 0.00 N ATOM 1130 CA ALA A 73 9.672 -8.037 11.246 1.00 0.00 C ATOM 1131 C ALA A 73 8.190 -8.298 10.989 1.00 0.00 C ATOM 1132 O ALA A 73 7.810 -8.817 9.941 1.00 0.00 O ATOM 1133 CB ALA A 73 10.264 -9.189 12.059 1.00 0.00 C ATOM 0 H ALA A 73 10.388 -6.861 12.833 1.00 0.00 H new ATOM 0 HA ALA A 73 10.183 -7.966 10.286 1.00 0.00 H new ATOM 0 HB1 ALA A 73 10.122 -10.126 11.520 1.00 0.00 H new ATOM 0 HB2 ALA A 73 11.329 -9.017 12.212 1.00 0.00 H new ATOM 0 HB3 ALA A 73 9.764 -9.247 13.026 1.00 0.00 H new ATOM 1139 N ILE A 74 7.362 -7.946 11.961 1.00 0.00 N ATOM 1140 CA ILE A 74 5.920 -8.140 11.842 1.00 0.00 C ATOM 1141 C ILE A 74 5.332 -7.165 10.825 1.00 0.00 C ATOM 1142 O ILE A 74 4.421 -7.508 10.072 1.00 0.00 O ATOM 1143 CB ILE A 74 5.242 -7.946 13.203 1.00 0.00 C ATOM 1144 CG1 ILE A 74 5.896 -8.879 14.235 1.00 0.00 C ATOM 1145 CG2 ILE A 74 3.749 -8.286 13.077 1.00 0.00 C ATOM 1146 CD1 ILE A 74 5.357 -8.567 15.633 1.00 0.00 C ATOM 0 H ILE A 74 7.661 -7.525 12.841 1.00 0.00 H new ATOM 0 HA ILE A 74 5.738 -9.158 11.498 1.00 0.00 H new ATOM 0 HB ILE A 74 5.355 -6.911 13.527 1.00 0.00 H new ATOM 0 HG12 ILE A 74 5.691 -9.919 13.980 1.00 0.00 H new ATOM 0 HG13 ILE A 74 6.979 -8.754 14.217 1.00 0.00 H new ATOM 0 HG21 ILE A 74 3.262 -8.150 14.043 1.00 0.00 H new ATOM 0 HG22 ILE A 74 3.287 -7.628 12.341 1.00 0.00 H new ATOM 0 HG23 ILE A 74 3.638 -9.322 12.758 1.00 0.00 H new ATOM 0 HD11 ILE A 74 5.824 -9.232 16.360 1.00 0.00 H new ATOM 0 HD12 ILE A 74 5.585 -7.532 15.888 1.00 0.00 H new ATOM 0 HD13 ILE A 74 4.277 -8.715 15.648 1.00 0.00 H new ATOM 1158 N ILE A 75 5.833 -5.933 10.842 1.00 0.00 N ATOM 1159 CA ILE A 75 5.329 -4.891 9.954 1.00 0.00 C ATOM 1160 C ILE A 75 5.498 -5.291 8.491 1.00 0.00 C ATOM 1161 O ILE A 75 4.560 -5.186 7.702 1.00 0.00 O ATOM 1162 CB ILE A 75 6.103 -3.592 10.195 1.00 0.00 C ATOM 1163 CG1 ILE A 75 6.128 -3.258 11.696 1.00 0.00 C ATOM 1164 CG2 ILE A 75 5.457 -2.444 9.409 1.00 0.00 C ATOM 1165 CD1 ILE A 75 4.728 -3.134 12.288 1.00 0.00 C ATOM 0 H ILE A 75 6.587 -5.632 11.460 1.00 0.00 H new ATOM 0 HA ILE A 75 4.269 -4.750 10.166 1.00 0.00 H new ATOM 0 HB ILE A 75 7.129 -3.724 9.850 1.00 0.00 H new ATOM 0 HG12 ILE A 75 6.677 -4.034 12.229 1.00 0.00 H new ATOM 0 HG13 ILE A 75 6.668 -2.323 11.848 1.00 0.00 H new ATOM 0 HG21 ILE A 75 6.013 -1.524 9.586 1.00 0.00 H new ATOM 0 HG22 ILE A 75 5.472 -2.678 8.345 1.00 0.00 H new ATOM 0 HG23 ILE A 75 4.426 -2.313 9.737 1.00 0.00 H new ATOM 0 HD11 ILE A 75 4.801 -2.898 13.349 1.00 0.00 H new ATOM 0 HD12 ILE A 75 4.185 -2.339 11.776 1.00 0.00 H new ATOM 0 HD13 ILE A 75 4.195 -4.076 12.162 1.00 0.00 H new ATOM 1177 N GLU A 76 6.701 -5.744 8.135 1.00 0.00 N ATOM 1178 CA GLU A 76 6.971 -6.147 6.757 1.00 0.00 C ATOM 1179 C GLU A 76 6.074 -7.320 6.367 1.00 0.00 C ATOM 1180 O GLU A 76 5.484 -7.328 5.288 1.00 0.00 O ATOM 1181 CB GLU A 76 8.458 -6.522 6.581 1.00 0.00 C ATOM 1182 CG GLU A 76 8.891 -7.513 7.663 1.00 0.00 C ATOM 1183 CD GLU A 76 10.373 -7.836 7.521 1.00 0.00 C ATOM 1184 OE1 GLU A 76 11.133 -6.932 7.217 1.00 0.00 O ATOM 1185 OE2 GLU A 76 10.727 -8.986 7.726 1.00 0.00 O ATOM 0 H GLU A 76 7.492 -5.840 8.772 1.00 0.00 H new ATOM 0 HA GLU A 76 6.752 -5.305 6.100 1.00 0.00 H new ATOM 0 HB2 GLU A 76 8.615 -6.959 5.595 1.00 0.00 H new ATOM 0 HB3 GLU A 76 9.074 -5.625 6.633 1.00 0.00 H new ATOM 0 HG2 GLU A 76 8.696 -7.093 8.650 1.00 0.00 H new ATOM 0 HG3 GLU A 76 8.303 -8.428 7.584 1.00 0.00 H new ATOM 1192 N ALA A 77 5.976 -8.301 7.259 1.00 0.00 N ATOM 1193 CA ALA A 77 5.152 -9.477 7.020 1.00 0.00 C ATOM 1194 C ALA A 77 3.673 -9.113 6.977 1.00 0.00 C ATOM 1195 O ALA A 77 2.859 -9.884 6.477 1.00 0.00 O ATOM 1196 CB ALA A 77 5.393 -10.518 8.114 1.00 0.00 C ATOM 0 H ALA A 77 6.460 -8.303 8.157 1.00 0.00 H new ATOM 0 HA ALA A 77 5.433 -9.893 6.052 1.00 0.00 H new ATOM 0 HB1 ALA A 77 4.772 -11.394 7.926 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.443 -10.811 8.113 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.136 -10.092 9.084 1.00 0.00 H new ATOM 1202 N ASP A 78 3.328 -7.950 7.529 1.00 0.00 N ATOM 1203 CA ASP A 78 1.934 -7.500 7.556 1.00 0.00 C ATOM 1204 C ASP A 78 1.529 -6.880 6.211 1.00 0.00 C ATOM 1205 O ASP A 78 0.470 -7.196 5.671 1.00 0.00 O ATOM 1206 CB ASP A 78 1.745 -6.472 8.677 1.00 0.00 C ATOM 1207 CG ASP A 78 0.264 -6.136 8.848 1.00 0.00 C ATOM 1208 OD1 ASP A 78 -0.527 -6.575 8.030 1.00 0.00 O ATOM 1209 OD2 ASP A 78 -0.057 -5.444 9.802 1.00 0.00 O ATOM 0 H ASP A 78 3.989 -7.305 7.961 1.00 0.00 H new ATOM 0 HA ASP A 78 1.297 -8.365 7.740 1.00 0.00 H new ATOM 0 HB2 ASP A 78 2.145 -6.866 9.611 1.00 0.00 H new ATOM 0 HB3 ASP A 78 2.306 -5.566 8.447 1.00 0.00 H new ATOM 1214 N ILE A 79 2.375 -5.987 5.688 1.00 0.00 N ATOM 1215 CA ILE A 79 2.099 -5.310 4.411 1.00 0.00 C ATOM 1216 C ILE A 79 2.433 -6.211 3.223 1.00 0.00 C ATOM 1217 O ILE A 79 1.779 -6.159 2.185 1.00 0.00 O ATOM 1218 CB ILE A 79 2.895 -4.002 4.340 1.00 0.00 C ATOM 1219 CG1 ILE A 79 4.399 -4.298 4.422 1.00 0.00 C ATOM 1220 CG2 ILE A 79 2.484 -3.119 5.524 1.00 0.00 C ATOM 1221 CD1 ILE A 79 5.201 -2.997 4.311 1.00 0.00 C ATOM 0 H ILE A 79 3.255 -5.715 6.126 1.00 0.00 H new ATOM 0 HA ILE A 79 1.034 -5.084 4.360 1.00 0.00 H new ATOM 0 HB ILE A 79 2.687 -3.494 3.398 1.00 0.00 H new ATOM 0 HG12 ILE A 79 4.628 -4.796 5.364 1.00 0.00 H new ATOM 0 HG13 ILE A 79 4.687 -4.981 3.622 1.00 0.00 H new ATOM 0 HG21 ILE A 79 3.041 -2.183 5.490 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.416 -2.908 5.467 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.702 -3.637 6.458 1.00 0.00 H new ATOM 0 HD11 ILE A 79 6.266 -3.220 4.371 1.00 0.00 H new ATOM 0 HD12 ILE A 79 4.984 -2.516 3.357 1.00 0.00 H new ATOM 0 HD13 ILE A 79 4.924 -2.328 5.126 1.00 0.00 H new ATOM 1233 N LEU A 80 3.454 -7.042 3.384 1.00 0.00 N ATOM 1234 CA LEU A 80 3.858 -7.953 2.317 1.00 0.00 C ATOM 1235 C LEU A 80 2.633 -8.687 1.728 1.00 0.00 C ATOM 1236 O LEU A 80 2.358 -8.558 0.535 1.00 0.00 O ATOM 1237 CB LEU A 80 4.913 -8.968 2.849 1.00 0.00 C ATOM 1238 CG LEU A 80 6.368 -8.444 2.667 1.00 0.00 C ATOM 1239 CD1 LEU A 80 7.322 -9.262 3.556 1.00 0.00 C ATOM 1240 CD2 LEU A 80 6.820 -8.606 1.202 1.00 0.00 C ATOM 0 H LEU A 80 4.014 -7.106 4.234 1.00 0.00 H new ATOM 0 HA LEU A 80 4.313 -7.370 1.516 1.00 0.00 H new ATOM 0 HB2 LEU A 80 4.727 -9.164 3.905 1.00 0.00 H new ATOM 0 HB3 LEU A 80 4.801 -9.917 2.324 1.00 0.00 H new ATOM 0 HG LEU A 80 6.391 -7.390 2.944 1.00 0.00 H new ATOM 0 HD11 LEU A 80 8.341 -8.896 3.429 1.00 0.00 H new ATOM 0 HD12 LEU A 80 7.026 -9.157 4.600 1.00 0.00 H new ATOM 0 HD13 LEU A 80 7.276 -10.313 3.269 1.00 0.00 H new ATOM 0 HD21 LEU A 80 7.839 -8.235 1.092 1.00 0.00 H new ATOM 0 HD22 LEU A 80 6.786 -9.660 0.925 1.00 0.00 H new ATOM 0 HD23 LEU A 80 6.155 -8.038 0.551 1.00 0.00 H new ATOM 1252 N PRO A 81 1.891 -9.437 2.517 1.00 0.00 N ATOM 1253 CA PRO A 81 0.690 -10.172 2.012 1.00 0.00 C ATOM 1254 C PRO A 81 -0.371 -9.210 1.461 1.00 0.00 C ATOM 1255 O PRO A 81 -1.132 -9.569 0.563 1.00 0.00 O ATOM 1256 CB PRO A 81 0.180 -10.941 3.258 1.00 0.00 C ATOM 1257 CG PRO A 81 0.714 -10.155 4.411 1.00 0.00 C ATOM 1258 CD PRO A 81 2.090 -9.679 3.956 1.00 0.00 C ATOM 0 HA PRO A 81 0.922 -10.835 1.179 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -0.909 -10.990 3.279 1.00 0.00 H new ATOM 0 HB3 PRO A 81 0.546 -11.968 3.271 1.00 0.00 H new ATOM 0 HG2 PRO A 81 0.064 -9.314 4.651 1.00 0.00 H new ATOM 0 HG3 PRO A 81 0.785 -10.769 5.309 1.00 0.00 H new ATOM 0 HD2 PRO A 81 2.399 -8.774 4.480 1.00 0.00 H new ATOM 0 HD3 PRO A 81 2.859 -10.430 4.138 1.00 0.00 H new ATOM 1266 N MET A 82 -0.416 -7.994 2.006 1.00 0.00 N ATOM 1267 CA MET A 82 -1.390 -7.003 1.553 1.00 0.00 C ATOM 1268 C MET A 82 -1.093 -6.567 0.119 1.00 0.00 C ATOM 1269 O MET A 82 -2.007 -6.366 -0.680 1.00 0.00 O ATOM 1270 CB MET A 82 -1.364 -5.782 2.477 1.00 0.00 C ATOM 1271 CG MET A 82 -2.450 -4.788 2.054 1.00 0.00 C ATOM 1272 SD MET A 82 -2.550 -3.467 3.287 1.00 0.00 S ATOM 1273 CE MET A 82 -3.786 -4.233 4.368 1.00 0.00 C ATOM 0 H MET A 82 0.202 -7.675 2.752 1.00 0.00 H new ATOM 0 HA MET A 82 -2.380 -7.459 1.581 1.00 0.00 H new ATOM 0 HB2 MET A 82 -1.524 -6.092 3.509 1.00 0.00 H new ATOM 0 HB3 MET A 82 -0.385 -5.304 2.436 1.00 0.00 H new ATOM 0 HG2 MET A 82 -2.218 -4.372 1.074 1.00 0.00 H new ATOM 0 HG3 MET A 82 -3.411 -5.295 1.966 1.00 0.00 H new ATOM 0 HE1 MET A 82 -3.879 -3.651 5.285 1.00 0.00 H new ATOM 0 HE2 MET A 82 -4.748 -4.261 3.857 1.00 0.00 H new ATOM 0 HE3 MET A 82 -3.475 -5.249 4.613 1.00 0.00 H new ATOM 1283 N LEU A 83 0.188 -6.414 -0.197 1.00 0.00 N ATOM 1284 CA LEU A 83 0.593 -5.995 -1.534 1.00 0.00 C ATOM 1285 C LEU A 83 0.163 -7.032 -2.570 1.00 0.00 C ATOM 1286 O LEU A 83 -0.285 -6.681 -3.661 1.00 0.00 O ATOM 1287 CB LEU A 83 2.115 -5.810 -1.582 1.00 0.00 C ATOM 1288 CG LEU A 83 2.545 -4.614 -0.698 1.00 0.00 C ATOM 1289 CD1 LEU A 83 4.070 -4.646 -0.526 1.00 0.00 C ATOM 1290 CD2 LEU A 83 2.137 -3.267 -1.342 1.00 0.00 C ATOM 0 H LEU A 83 0.960 -6.573 0.450 1.00 0.00 H new ATOM 0 HA LEU A 83 0.108 -5.047 -1.766 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.609 -6.719 -1.239 1.00 0.00 H new ATOM 0 HB3 LEU A 83 2.434 -5.643 -2.611 1.00 0.00 H new ATOM 0 HG LEU A 83 2.046 -4.699 0.267 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.384 -3.807 0.095 1.00 0.00 H new ATOM 0 HD12 LEU A 83 4.363 -5.581 -0.048 1.00 0.00 H new ATOM 0 HD13 LEU A 83 4.548 -4.572 -1.503 1.00 0.00 H new ATOM 0 HD21 LEU A 83 2.452 -2.446 -0.698 1.00 0.00 H new ATOM 0 HD22 LEU A 83 2.617 -3.169 -2.316 1.00 0.00 H new ATOM 0 HD23 LEU A 83 1.055 -3.236 -1.466 1.00 0.00 H new ATOM 1302 N ALA A 84 0.296 -8.306 -2.222 1.00 0.00 N ATOM 1303 CA ALA A 84 -0.089 -9.376 -3.136 1.00 0.00 C ATOM 1304 C ALA A 84 -1.576 -9.281 -3.464 1.00 0.00 C ATOM 1305 O ALA A 84 -1.987 -9.516 -4.601 1.00 0.00 O ATOM 1306 CB ALA A 84 0.208 -10.736 -2.502 1.00 0.00 C ATOM 0 H ALA A 84 0.663 -8.622 -1.324 1.00 0.00 H new ATOM 0 HA ALA A 84 0.486 -9.272 -4.056 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -0.082 -11.530 -3.191 1.00 0.00 H new ATOM 0 HB2 ALA A 84 1.274 -10.813 -2.288 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -0.356 -10.836 -1.575 1.00 0.00 H new ATOM 1312 N GLY A 85 -2.377 -8.934 -2.463 1.00 0.00 N ATOM 1313 CA GLY A 85 -3.819 -8.810 -2.657 1.00 0.00 C ATOM 1314 C GLY A 85 -4.148 -7.669 -3.617 1.00 0.00 C ATOM 1315 O GLY A 85 -5.030 -7.794 -4.466 1.00 0.00 O ATOM 0 H GLY A 85 -2.057 -8.735 -1.515 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -4.218 -9.746 -3.049 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -4.304 -8.633 -1.697 1.00 0.00 H new ATOM 1319 N LEU A 86 -3.431 -6.561 -3.472 1.00 0.00 N ATOM 1320 CA LEU A 86 -3.643 -5.396 -4.323 1.00 0.00 C ATOM 1321 C LEU A 86 -3.175 -5.680 -5.748 1.00 0.00 C ATOM 1322 O LEU A 86 -3.773 -5.209 -6.712 1.00 0.00 O ATOM 1323 CB LEU A 86 -2.879 -4.199 -3.752 1.00 0.00 C ATOM 1324 CG LEU A 86 -3.473 -3.775 -2.391 1.00 0.00 C ATOM 1325 CD1 LEU A 86 -2.533 -2.756 -1.735 1.00 0.00 C ATOM 1326 CD2 LEU A 86 -4.876 -3.141 -2.569 1.00 0.00 C ATOM 0 H LEU A 86 -2.697 -6.445 -2.773 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.709 -5.169 -4.349 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.827 -4.456 -3.631 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.925 -3.364 -4.451 1.00 0.00 H new ATOM 0 HG LEU A 86 -3.575 -4.659 -1.762 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.943 -2.450 -0.773 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.553 -3.209 -1.584 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -2.434 -1.884 -2.381 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.271 -2.852 -1.595 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.799 -2.260 -3.206 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -5.546 -3.865 -3.032 1.00 0.00 H new ATOM 1338 N ALA A 87 -2.104 -6.454 -5.880 1.00 0.00 N ATOM 1339 CA ALA A 87 -1.576 -6.787 -7.202 1.00 0.00 C ATOM 1340 C ALA A 87 -2.680 -7.357 -8.089 1.00 0.00 C ATOM 1341 O ALA A 87 -2.740 -7.072 -9.285 1.00 0.00 O ATOM 1342 CB ALA A 87 -0.449 -7.814 -7.064 1.00 0.00 C ATOM 0 H ALA A 87 -1.588 -6.860 -5.099 1.00 0.00 H new ATOM 0 HA ALA A 87 -1.188 -5.878 -7.662 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -0.058 -8.060 -8.051 1.00 0.00 H new ATOM 0 HB2 ALA A 87 0.350 -7.397 -6.451 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -0.836 -8.717 -6.592 1.00 0.00 H new ATOM 1348 N GLN A 88 -3.555 -8.156 -7.490 1.00 0.00 N ATOM 1349 CA GLN A 88 -4.661 -8.756 -8.225 1.00 0.00 C ATOM 1350 C GLN A 88 -5.575 -7.671 -8.793 1.00 0.00 C ATOM 1351 O GLN A 88 -6.327 -7.912 -9.736 1.00 0.00 O ATOM 1352 CB GLN A 88 -5.465 -9.671 -7.298 1.00 0.00 C ATOM 1353 CG GLN A 88 -4.600 -10.862 -6.879 1.00 0.00 C ATOM 1354 CD GLN A 88 -5.358 -11.732 -5.881 1.00 0.00 C ATOM 1355 OE1 GLN A 88 -5.746 -11.258 -4.813 1.00 0.00 O ATOM 1356 NE2 GLN A 88 -5.590 -12.983 -6.166 1.00 0.00 N ATOM 0 H GLN A 88 -3.520 -8.403 -6.501 1.00 0.00 H new ATOM 0 HA GLN A 88 -4.254 -9.341 -9.050 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -5.792 -9.118 -6.417 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -6.364 -10.022 -7.806 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -4.329 -11.451 -7.755 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -3.671 -10.508 -6.433 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -5.267 -13.373 -7.052 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -6.094 -13.572 -5.503 1.00 0.00 H new ATOM 1365 N LYS A 89 -5.509 -6.475 -8.204 1.00 0.00 N ATOM 1366 CA LYS A 89 -6.341 -5.348 -8.643 1.00 0.00 C ATOM 1367 C LYS A 89 -5.567 -4.477 -9.628 1.00 0.00 C ATOM 1368 O LYS A 89 -6.091 -3.490 -10.143 1.00 0.00 O ATOM 1369 CB LYS A 89 -6.742 -4.503 -7.430 1.00 0.00 C ATOM 1370 CG LYS A 89 -7.537 -5.368 -6.448 1.00 0.00 C ATOM 1371 CD LYS A 89 -7.914 -4.534 -5.221 1.00 0.00 C ATOM 1372 CE LYS A 89 -8.742 -5.388 -4.260 1.00 0.00 C ATOM 1373 NZ LYS A 89 -7.909 -6.517 -3.757 1.00 0.00 N ATOM 0 H LYS A 89 -4.889 -6.260 -7.423 1.00 0.00 H new ATOM 0 HA LYS A 89 -7.234 -5.738 -9.132 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -5.853 -4.103 -6.942 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -7.342 -3.651 -7.749 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -8.436 -5.751 -6.930 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -6.945 -6.232 -6.146 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -7.014 -4.174 -4.722 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -8.482 -3.655 -5.526 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -9.092 -4.780 -3.426 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -9.627 -5.772 -4.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -8.342 -6.912 -2.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -7.850 -7.257 -4.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -6.953 -6.172 -3.536 1.00 0.00 H new ATOM 1387 N ARG A 90 -4.317 -4.853 -9.885 1.00 0.00 N ATOM 1388 CA ARG A 90 -3.478 -4.106 -10.806 1.00 0.00 C ATOM 1389 C ARG A 90 -3.381 -2.643 -10.383 1.00 0.00 C ATOM 1390 O ARG A 90 -3.892 -1.755 -11.066 1.00 0.00 O ATOM 1391 CB ARG A 90 -4.056 -4.199 -12.221 1.00 0.00 C ATOM 1392 CG ARG A 90 -3.022 -3.701 -13.230 1.00 0.00 C ATOM 1393 CD ARG A 90 -3.610 -3.769 -14.635 1.00 0.00 C ATOM 1394 NE ARG A 90 -4.714 -2.819 -14.764 1.00 0.00 N ATOM 1395 CZ ARG A 90 -4.494 -1.520 -14.958 1.00 0.00 C ATOM 1396 NH1 ARG A 90 -5.500 -0.697 -15.075 1.00 0.00 N ATOM 1397 NH2 ARG A 90 -3.272 -1.067 -15.026 1.00 0.00 N ATOM 0 H ARG A 90 -3.868 -5.668 -9.468 1.00 0.00 H new ATOM 0 HA ARG A 90 -2.477 -4.537 -10.792 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -4.331 -5.230 -12.445 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -4.966 -3.603 -12.293 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -2.732 -2.677 -12.995 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -2.119 -4.309 -13.172 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -2.839 -3.544 -15.372 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -3.963 -4.779 -14.841 1.00 0.00 H new ATOM 0 HE ARG A 90 -5.674 -3.159 -14.704 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -6.456 -1.049 -15.018 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -5.330 0.298 -15.224 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -2.484 -1.708 -14.931 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -3.105 -0.072 -15.175 1.00 0.00 H new ATOM 1411 N VAL A 91 -2.723 -2.398 -9.249 1.00 0.00 N ATOM 1412 CA VAL A 91 -2.558 -1.037 -8.731 1.00 0.00 C ATOM 1413 C VAL A 91 -1.170 -0.860 -8.128 1.00 0.00 C ATOM 1414 O VAL A 91 -0.921 0.090 -7.389 1.00 0.00 O ATOM 1415 CB VAL A 91 -3.626 -0.749 -7.672 1.00 0.00 C ATOM 1416 CG1 VAL A 91 -5.017 -0.941 -8.285 1.00 0.00 C ATOM 1417 CG2 VAL A 91 -3.450 -1.702 -6.480 1.00 0.00 C ATOM 0 H VAL A 91 -2.296 -3.122 -8.672 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.672 -0.334 -9.557 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.520 0.279 -7.325 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -5.778 -0.736 -7.532 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -5.143 -0.256 -9.124 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -5.121 -1.968 -8.636 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.213 -1.492 -5.730 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.550 -2.733 -6.820 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -2.462 -1.559 -6.042 1.00 0.00 H new ATOM 1427 N LEU A 92 -0.265 -1.784 -8.457 1.00 0.00 N ATOM 1428 CA LEU A 92 1.116 -1.740 -7.959 1.00 0.00 C ATOM 1429 C LEU A 92 2.094 -1.891 -9.109 1.00 0.00 C ATOM 1430 O LEU A 92 1.763 -2.433 -10.163 1.00 0.00 O ATOM 1431 CB LEU A 92 1.355 -2.862 -6.938 1.00 0.00 C ATOM 1432 CG LEU A 92 0.516 -2.642 -5.665 1.00 0.00 C ATOM 1433 CD1 LEU A 92 0.710 -3.852 -4.734 1.00 0.00 C ATOM 1434 CD2 LEU A 92 0.940 -1.334 -4.942 1.00 0.00 C ATOM 0 H LEU A 92 -0.463 -2.576 -9.069 1.00 0.00 H new ATOM 0 HA LEU A 92 1.273 -0.776 -7.475 1.00 0.00 H new ATOM 0 HB2 LEU A 92 1.100 -3.824 -7.384 1.00 0.00 H new ATOM 0 HB3 LEU A 92 2.413 -2.902 -6.678 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.535 -2.545 -5.937 1.00 0.00 H new ATOM 0 HD11 LEU A 92 0.122 -3.711 -3.827 1.00 0.00 H new ATOM 0 HD12 LEU A 92 0.382 -4.759 -5.242 1.00 0.00 H new ATOM 0 HD13 LEU A 92 1.764 -3.944 -4.472 1.00 0.00 H new ATOM 0 HD21 LEU A 92 0.333 -1.200 -4.046 1.00 0.00 H new ATOM 0 HD22 LEU A 92 1.992 -1.397 -4.662 1.00 0.00 H new ATOM 0 HD23 LEU A 92 0.793 -0.485 -5.610 1.00 0.00 H new ATOM 1446 N GLU A 93 3.305 -1.384 -8.890 1.00 0.00 N ATOM 1447 CA GLU A 93 4.358 -1.430 -9.897 1.00 0.00 C ATOM 1448 C GLU A 93 5.724 -1.591 -9.235 1.00 0.00 C ATOM 1449 O GLU A 93 6.198 -0.699 -8.537 1.00 0.00 O ATOM 1450 CB GLU A 93 4.322 -0.132 -10.710 1.00 0.00 C ATOM 1451 CG GLU A 93 5.395 -0.168 -11.797 1.00 0.00 C ATOM 1452 CD GLU A 93 5.274 1.052 -12.703 1.00 0.00 C ATOM 1453 OE1 GLU A 93 4.247 1.709 -12.651 1.00 0.00 O ATOM 1454 OE2 GLU A 93 6.212 1.311 -13.438 1.00 0.00 O ATOM 0 H GLU A 93 3.581 -0.934 -8.017 1.00 0.00 H new ATOM 0 HA GLU A 93 4.193 -2.285 -10.553 1.00 0.00 H new ATOM 0 HB2 GLU A 93 3.339 -0.003 -11.162 1.00 0.00 H new ATOM 0 HB3 GLU A 93 4.486 0.723 -10.054 1.00 0.00 H new ATOM 0 HG2 GLU A 93 6.384 -0.193 -11.340 1.00 0.00 H new ATOM 0 HG3 GLU A 93 5.294 -1.079 -12.387 1.00 0.00 H new ATOM 1461 N ARG A 94 6.352 -2.735 -9.470 1.00 0.00 N ATOM 1462 CA ARG A 94 7.669 -3.003 -8.907 1.00 0.00 C ATOM 1463 C ARG A 94 8.700 -2.043 -9.496 1.00 0.00 C ATOM 1464 O ARG A 94 9.130 -1.152 -8.783 1.00 0.00 O ATOM 1465 CB ARG A 94 8.072 -4.446 -9.215 1.00 0.00 C ATOM 1466 CG ARG A 94 7.152 -5.409 -8.459 1.00 0.00 C ATOM 1467 CD ARG A 94 7.529 -6.854 -8.795 1.00 0.00 C ATOM 1468 NE ARG A 94 7.203 -7.151 -10.185 1.00 0.00 N ATOM 1469 CZ ARG A 94 7.496 -8.330 -10.724 1.00 0.00 C ATOM 1470 NH1 ARG A 94 7.185 -8.573 -11.968 1.00 0.00 N ATOM 1471 NH2 ARG A 94 8.098 -9.243 -10.011 1.00 0.00 N ATOM 1472 OXT ARG A 94 9.040 -2.211 -10.656 1.00 0.00 O ATOM 0 H ARG A 94 5.974 -3.489 -10.043 1.00 0.00 H new ATOM 0 HA ARG A 94 7.630 -2.858 -7.827 1.00 0.00 H new ATOM 0 HB2 ARG A 94 8.007 -4.631 -10.287 1.00 0.00 H new ATOM 0 HB3 ARG A 94 9.109 -4.614 -8.925 1.00 0.00 H new ATOM 0 HG2 ARG A 94 7.237 -5.241 -7.385 1.00 0.00 H new ATOM 0 HG3 ARG A 94 6.113 -5.222 -8.729 1.00 0.00 H new ATOM 0 HD2 ARG A 94 8.594 -7.009 -8.623 1.00 0.00 H new ATOM 0 HD3 ARG A 94 6.997 -7.539 -8.135 1.00 0.00 H new ATOM 0 HE ARG A 94 6.742 -6.441 -10.754 1.00 0.00 H new ATOM 0 HH11 ARG A 94 6.717 -7.858 -12.526 1.00 0.00 H new ATOM 0 HH12 ARG A 94 7.410 -9.478 -12.382 1.00 0.00 H new ATOM 0 HH21 ARG A 94 8.344 -9.052 -9.040 1.00 0.00 H new ATOM 0 HH22 ARG A 94 8.323 -10.148 -10.425 1.00 0.00 H new TER 1486 ARG A 94