USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 614 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 37 ASN : amide:sc= 0.953 K(o=0.87,f=-0.0049) USER MOD Set 1.2: A 59 ASN : amide:sc= -0.0829 X(o=0.87,f=1) USER MOD Set 2.1: A 22 ASN : amide:sc= 0.962 K(o=1.8,f=0.83) USER MOD Set 2.2: A 23 HIS : no HD1:sc= 0.801 K(o=1.8,f=-2.8!) USER MOD Single : A 1 SER N :NH3+ -114:sc= 0.0723 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 MET CE :methyl 173:sc= 0 (180deg=-0.0499) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 169:sc= 0.939 USER MOD Single : A 29 GLN : amide:sc= 0.73 K(o=0.73,f=-0.0047) USER MOD Single : A 33 TYR OH : rot -164:sc= 0.552 USER MOD Single : A 35 THR OG1 : rot -66:sc= 0.254 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot 180:sc= -1.28 USER MOD Single : A 61 MET CE :methyl 174:sc= 0 (180deg=-0.048) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -157:sc= 1.1 (180deg=0.759) USER MOD Single : A 75 LYS NZ :NH3+ 176:sc= 0.933 (180deg=0.929) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 8.664 8.377 -55.752 1.00 0.00 N ATOM 2 CA SER A 1 8.565 9.463 -54.747 1.00 0.00 C ATOM 3 C SER A 1 8.690 8.917 -53.322 1.00 0.00 C ATOM 4 O SER A 1 8.535 7.715 -53.088 1.00 0.00 O ATOM 5 CB SER A 1 7.257 10.249 -54.917 1.00 0.00 C ATOM 6 OG SER A 1 6.143 9.369 -54.913 1.00 0.00 O ATOM 0 H1 SER A 1 9.530 8.503 -56.315 1.00 0.00 H new ATOM 0 H2 SER A 1 8.696 7.457 -55.267 1.00 0.00 H new ATOM 0 H3 SER A 1 7.835 8.408 -56.380 1.00 0.00 H new ATOM 0 HA SER A 1 9.398 10.146 -54.915 1.00 0.00 H new ATOM 0 HB2 SER A 1 7.156 10.976 -54.112 1.00 0.00 H new ATOM 0 HB3 SER A 1 7.282 10.809 -55.852 1.00 0.00 H new ATOM 0 HG SER A 1 5.317 9.886 -55.021 1.00 0.00 H new ATOM 14 N MET A 2 9.003 9.789 -52.354 1.00 0.00 N ATOM 15 CA MET A 2 9.180 9.429 -50.938 1.00 0.00 C ATOM 16 C MET A 2 7.840 9.107 -50.245 1.00 0.00 C ATOM 17 O MET A 2 6.792 9.650 -50.607 1.00 0.00 O ATOM 18 CB MET A 2 9.912 10.553 -50.178 1.00 0.00 C ATOM 19 CG MET A 2 11.347 10.814 -50.668 1.00 0.00 C ATOM 20 SD MET A 2 11.541 11.707 -52.243 1.00 0.00 S ATOM 21 CE MET A 2 11.000 13.371 -51.757 1.00 0.00 C ATOM 0 H MET A 2 9.143 10.783 -52.535 1.00 0.00 H new ATOM 0 HA MET A 2 9.788 8.525 -50.914 1.00 0.00 H new ATOM 0 HB2 MET A 2 9.336 11.474 -50.270 1.00 0.00 H new ATOM 0 HB3 MET A 2 9.942 10.300 -49.118 1.00 0.00 H new ATOM 0 HG2 MET A 2 11.871 11.376 -49.895 1.00 0.00 H new ATOM 0 HG3 MET A 2 11.852 9.853 -50.761 1.00 0.00 H new ATOM 0 HE1 MET A 2 11.177 14.066 -52.578 1.00 0.00 H new ATOM 0 HE2 MET A 2 9.936 13.353 -51.520 1.00 0.00 H new ATOM 0 HE3 MET A 2 11.561 13.695 -50.880 1.00 0.00 H new ATOM 31 N ALA A 3 7.881 8.248 -49.221 1.00 0.00 N ATOM 32 CA ALA A 3 6.718 7.906 -48.394 1.00 0.00 C ATOM 33 C ALA A 3 6.271 9.075 -47.489 1.00 0.00 C ATOM 34 O ALA A 3 7.079 9.914 -47.081 1.00 0.00 O ATOM 35 CB ALA A 3 7.047 6.646 -47.582 1.00 0.00 C ATOM 0 H ALA A 3 8.734 7.764 -48.939 1.00 0.00 H new ATOM 0 HA ALA A 3 5.868 7.706 -49.047 1.00 0.00 H new ATOM 0 HB1 ALA A 3 6.191 6.379 -46.962 1.00 0.00 H new ATOM 0 HB2 ALA A 3 7.273 5.824 -48.261 1.00 0.00 H new ATOM 0 HB3 ALA A 3 7.911 6.839 -46.945 1.00 0.00 H new ATOM 41 N ASP A 4 4.980 9.112 -47.142 1.00 0.00 N ATOM 42 CA ASP A 4 4.374 10.147 -46.291 1.00 0.00 C ATOM 43 C ASP A 4 4.738 9.944 -44.805 1.00 0.00 C ATOM 44 O ASP A 4 4.084 9.182 -44.085 1.00 0.00 O ATOM 45 CB ASP A 4 2.857 10.162 -46.537 1.00 0.00 C ATOM 46 CG ASP A 4 2.155 11.229 -45.686 1.00 0.00 C ATOM 47 OD1 ASP A 4 2.434 12.436 -45.873 1.00 0.00 O ATOM 48 OD2 ASP A 4 1.333 10.867 -44.810 1.00 0.00 O ATOM 0 H ASP A 4 4.310 8.408 -47.451 1.00 0.00 H new ATOM 0 HA ASP A 4 4.776 11.125 -46.556 1.00 0.00 H new ATOM 0 HB2 ASP A 4 2.661 10.351 -47.592 1.00 0.00 H new ATOM 0 HB3 ASP A 4 2.441 9.181 -46.307 1.00 0.00 H new ATOM 53 N ARG A 5 5.815 10.603 -44.360 1.00 0.00 N ATOM 54 CA ARG A 5 6.439 10.462 -43.027 1.00 0.00 C ATOM 55 C ARG A 5 6.917 11.812 -42.469 1.00 0.00 C ATOM 56 O ARG A 5 7.043 12.790 -43.212 1.00 0.00 O ATOM 57 CB ARG A 5 7.631 9.484 -43.119 1.00 0.00 C ATOM 58 CG ARG A 5 7.241 8.069 -43.587 1.00 0.00 C ATOM 59 CD ARG A 5 8.431 7.101 -43.577 1.00 0.00 C ATOM 60 NE ARG A 5 9.480 7.494 -44.542 1.00 0.00 N ATOM 61 CZ ARG A 5 10.611 6.853 -44.778 1.00 0.00 C ATOM 62 NH1 ARG A 5 10.921 5.744 -44.169 1.00 0.00 N ATOM 63 NH2 ARG A 5 11.463 7.320 -45.645 1.00 0.00 N ATOM 0 H ARG A 5 6.303 11.283 -44.943 1.00 0.00 H new ATOM 0 HA ARG A 5 5.684 10.073 -42.344 1.00 0.00 H new ATOM 0 HB2 ARG A 5 8.372 9.893 -43.807 1.00 0.00 H new ATOM 0 HB3 ARG A 5 8.108 9.414 -42.141 1.00 0.00 H new ATOM 0 HG2 ARG A 5 6.454 7.680 -42.941 1.00 0.00 H new ATOM 0 HG3 ARG A 5 6.829 8.123 -44.595 1.00 0.00 H new ATOM 0 HD2 ARG A 5 8.858 7.063 -42.575 1.00 0.00 H new ATOM 0 HD3 ARG A 5 8.081 6.096 -43.813 1.00 0.00 H new ATOM 0 HE ARG A 5 9.314 8.345 -45.079 1.00 0.00 H new ATOM 0 HH11 ARG A 5 10.281 5.342 -43.484 1.00 0.00 H new ATOM 0 HH12 ARG A 5 11.804 5.277 -44.377 1.00 0.00 H new ATOM 0 HH21 ARG A 5 11.259 8.185 -46.146 1.00 0.00 H new ATOM 0 HH22 ARG A 5 12.335 6.821 -45.823 1.00 0.00 H new ATOM 77 N VAL A 6 7.234 11.849 -41.172 1.00 0.00 N ATOM 78 CA VAL A 6 7.914 12.971 -40.493 1.00 0.00 C ATOM 79 C VAL A 6 8.997 12.446 -39.537 1.00 0.00 C ATOM 80 O VAL A 6 8.828 11.398 -38.911 1.00 0.00 O ATOM 81 CB VAL A 6 6.891 13.904 -39.807 1.00 0.00 C ATOM 82 CG1 VAL A 6 6.207 13.283 -38.582 1.00 0.00 C ATOM 83 CG2 VAL A 6 7.521 15.241 -39.403 1.00 0.00 C ATOM 0 H VAL A 6 7.020 11.078 -40.540 1.00 0.00 H new ATOM 0 HA VAL A 6 8.427 13.581 -41.237 1.00 0.00 H new ATOM 0 HB VAL A 6 6.124 14.070 -40.563 1.00 0.00 H new ATOM 0 HG11 VAL A 6 5.504 13.999 -38.156 1.00 0.00 H new ATOM 0 HG12 VAL A 6 5.671 12.382 -38.882 1.00 0.00 H new ATOM 0 HG13 VAL A 6 6.959 13.026 -37.836 1.00 0.00 H new ATOM 0 HG21 VAL A 6 6.769 15.868 -38.924 1.00 0.00 H new ATOM 0 HG22 VAL A 6 8.340 15.062 -38.707 1.00 0.00 H new ATOM 0 HG23 VAL A 6 7.903 15.746 -40.290 1.00 0.00 H new ATOM 93 N LEU A 7 10.132 13.152 -39.444 1.00 0.00 N ATOM 94 CA LEU A 7 11.344 12.696 -38.749 1.00 0.00 C ATOM 95 C LEU A 7 11.428 13.079 -37.257 1.00 0.00 C ATOM 96 O LEU A 7 12.267 12.536 -36.533 1.00 0.00 O ATOM 97 CB LEU A 7 12.582 13.169 -39.541 1.00 0.00 C ATOM 98 CG LEU A 7 12.931 14.672 -39.454 1.00 0.00 C ATOM 99 CD1 LEU A 7 14.306 14.907 -40.081 1.00 0.00 C ATOM 100 CD2 LEU A 7 11.937 15.597 -40.163 1.00 0.00 C ATOM 0 H LEU A 7 10.236 14.078 -39.860 1.00 0.00 H new ATOM 0 HA LEU A 7 11.304 11.607 -38.725 1.00 0.00 H new ATOM 0 HB2 LEU A 7 13.445 12.599 -39.196 1.00 0.00 H new ATOM 0 HB3 LEU A 7 12.432 12.915 -40.590 1.00 0.00 H new ATOM 0 HG LEU A 7 12.903 14.918 -38.392 1.00 0.00 H new ATOM 0 HD11 LEU A 7 14.557 15.966 -40.022 1.00 0.00 H new ATOM 0 HD12 LEU A 7 15.055 14.326 -39.543 1.00 0.00 H new ATOM 0 HD13 LEU A 7 14.287 14.596 -41.126 1.00 0.00 H new ATOM 0 HD21 LEU A 7 12.260 16.632 -40.051 1.00 0.00 H new ATOM 0 HD22 LEU A 7 11.895 15.343 -41.222 1.00 0.00 H new ATOM 0 HD23 LEU A 7 10.948 15.476 -39.721 1.00 0.00 H new ATOM 112 N ARG A 8 10.595 14.024 -36.801 1.00 0.00 N ATOM 113 CA ARG A 8 10.608 14.610 -35.446 1.00 0.00 C ATOM 114 C ARG A 8 9.200 15.063 -35.026 1.00 0.00 C ATOM 115 O ARG A 8 8.353 15.329 -35.882 1.00 0.00 O ATOM 116 CB ARG A 8 11.639 15.757 -35.435 1.00 0.00 C ATOM 117 CG ARG A 8 11.961 16.308 -34.034 1.00 0.00 C ATOM 118 CD ARG A 8 13.212 17.199 -34.046 1.00 0.00 C ATOM 119 NE ARG A 8 13.040 18.380 -34.913 1.00 0.00 N ATOM 120 CZ ARG A 8 13.982 19.138 -35.438 1.00 0.00 C ATOM 121 NH1 ARG A 8 15.250 18.943 -35.197 1.00 0.00 N ATOM 122 NH2 ARG A 8 13.662 20.120 -36.227 1.00 0.00 N ATOM 0 H ARG A 8 9.861 14.420 -37.388 1.00 0.00 H new ATOM 0 HA ARG A 8 10.905 13.866 -34.707 1.00 0.00 H new ATOM 0 HB2 ARG A 8 12.562 15.404 -35.894 1.00 0.00 H new ATOM 0 HB3 ARG A 8 11.265 16.571 -36.056 1.00 0.00 H new ATOM 0 HG2 ARG A 8 11.110 16.880 -33.664 1.00 0.00 H new ATOM 0 HG3 ARG A 8 12.112 15.479 -33.343 1.00 0.00 H new ATOM 0 HD2 ARG A 8 13.435 17.524 -33.030 1.00 0.00 H new ATOM 0 HD3 ARG A 8 14.068 16.618 -34.390 1.00 0.00 H new ATOM 0 HE ARG A 8 12.079 18.641 -35.132 1.00 0.00 H new ATOM 0 HH11 ARG A 8 15.541 18.182 -34.583 1.00 0.00 H new ATOM 0 HH12 ARG A 8 15.949 19.551 -35.622 1.00 0.00 H new ATOM 0 HH21 ARG A 8 12.682 20.304 -36.440 1.00 0.00 H new ATOM 0 HH22 ARG A 8 14.391 20.706 -36.633 1.00 0.00 H new ATOM 136 N GLY A 9 8.939 15.125 -33.719 1.00 0.00 N ATOM 137 CA GLY A 9 7.590 15.323 -33.165 1.00 0.00 C ATOM 138 C GLY A 9 6.710 14.071 -33.307 1.00 0.00 C ATOM 139 O GLY A 9 7.221 12.949 -33.388 1.00 0.00 O ATOM 0 H GLY A 9 9.662 15.039 -33.005 1.00 0.00 H new ATOM 0 HA2 GLY A 9 7.668 15.591 -32.111 1.00 0.00 H new ATOM 0 HA3 GLY A 9 7.111 16.160 -33.672 1.00 0.00 H new ATOM 143 N SER A 10 5.386 14.252 -33.338 1.00 0.00 N ATOM 144 CA SER A 10 4.409 13.171 -33.552 1.00 0.00 C ATOM 145 C SER A 10 3.180 13.663 -34.319 1.00 0.00 C ATOM 146 O SER A 10 2.727 14.794 -34.122 1.00 0.00 O ATOM 147 CB SER A 10 3.983 12.566 -32.212 1.00 0.00 C ATOM 148 OG SER A 10 3.143 11.448 -32.447 1.00 0.00 O ATOM 0 H SER A 10 4.953 15.167 -33.214 1.00 0.00 H new ATOM 0 HA SER A 10 4.895 12.404 -34.155 1.00 0.00 H new ATOM 0 HB2 SER A 10 4.861 12.262 -31.642 1.00 0.00 H new ATOM 0 HB3 SER A 10 3.457 13.311 -31.615 1.00 0.00 H new ATOM 0 HG SER A 10 2.870 11.058 -31.590 1.00 0.00 H new ATOM 154 N ARG A 11 2.616 12.812 -35.187 1.00 0.00 N ATOM 155 CA ARG A 11 1.492 13.156 -36.085 1.00 0.00 C ATOM 156 C ARG A 11 0.140 13.280 -35.369 1.00 0.00 C ATOM 157 O ARG A 11 -0.777 13.897 -35.911 1.00 0.00 O ATOM 158 CB ARG A 11 1.422 12.156 -37.255 1.00 0.00 C ATOM 159 CG ARG A 11 2.717 12.147 -38.086 1.00 0.00 C ATOM 160 CD ARG A 11 2.587 11.318 -39.369 1.00 0.00 C ATOM 161 NE ARG A 11 1.760 12.000 -40.384 1.00 0.00 N ATOM 162 CZ ARG A 11 1.597 11.622 -41.639 1.00 0.00 C ATOM 163 NH1 ARG A 11 2.112 10.534 -42.125 1.00 0.00 N ATOM 164 NH2 ARG A 11 0.907 12.334 -42.477 1.00 0.00 N ATOM 0 H ARG A 11 2.930 11.847 -35.291 1.00 0.00 H new ATOM 0 HA ARG A 11 1.699 14.152 -36.476 1.00 0.00 H new ATOM 0 HB2 ARG A 11 1.235 11.155 -36.866 1.00 0.00 H new ATOM 0 HB3 ARG A 11 0.580 12.410 -37.899 1.00 0.00 H new ATOM 0 HG2 ARG A 11 2.986 13.171 -38.345 1.00 0.00 H new ATOM 0 HG3 ARG A 11 3.530 11.748 -37.480 1.00 0.00 H new ATOM 0 HD2 ARG A 11 3.579 11.125 -39.779 1.00 0.00 H new ATOM 0 HD3 ARG A 11 2.146 10.350 -39.132 1.00 0.00 H new ATOM 0 HE ARG A 11 1.268 12.843 -40.088 1.00 0.00 H new ATOM 0 HH11 ARG A 11 2.673 9.925 -41.529 1.00 0.00 H new ATOM 0 HH12 ARG A 11 1.955 10.288 -43.102 1.00 0.00 H new ATOM 0 HH21 ARG A 11 0.476 13.207 -42.171 1.00 0.00 H new ATOM 0 HH22 ARG A 11 0.795 12.021 -43.441 1.00 0.00 H new ATOM 178 N LEU A 12 0.036 12.769 -34.137 1.00 0.00 N ATOM 179 CA LEU A 12 -1.075 13.039 -33.206 1.00 0.00 C ATOM 180 C LEU A 12 -0.863 14.303 -32.337 1.00 0.00 C ATOM 181 O LEU A 12 -1.680 14.601 -31.463 1.00 0.00 O ATOM 182 CB LEU A 12 -1.445 11.760 -32.422 1.00 0.00 C ATOM 183 CG LEU A 12 -0.332 11.052 -31.621 1.00 0.00 C ATOM 184 CD1 LEU A 12 0.283 11.916 -30.519 1.00 0.00 C ATOM 185 CD2 LEU A 12 -0.908 9.797 -30.962 1.00 0.00 C ATOM 0 H LEU A 12 0.738 12.140 -33.746 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.953 13.302 -33.796 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.246 12.014 -31.727 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.855 11.041 -33.131 1.00 0.00 H new ATOM 0 HG LEU A 12 0.456 10.821 -32.338 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.057 11.349 -30.001 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.723 12.810 -30.961 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.491 12.205 -29.809 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.126 9.292 -30.395 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.719 10.078 -30.291 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.290 9.125 -31.731 1.00 0.00 H new ATOM 197 N GLY A 13 0.210 15.060 -32.598 1.00 0.00 N ATOM 198 CA GLY A 13 0.571 16.314 -31.932 1.00 0.00 C ATOM 199 C GLY A 13 1.704 16.163 -30.911 1.00 0.00 C ATOM 200 O GLY A 13 1.726 15.222 -30.112 1.00 0.00 O ATOM 0 H GLY A 13 0.884 14.799 -33.318 1.00 0.00 H new ATOM 0 HA2 GLY A 13 0.867 17.044 -32.686 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -0.309 16.715 -31.429 1.00 0.00 H new ATOM 204 N ALA A 14 2.641 17.113 -30.928 1.00 0.00 N ATOM 205 CA ALA A 14 3.740 17.254 -29.969 1.00 0.00 C ATOM 206 C ALA A 14 4.116 18.739 -29.802 1.00 0.00 C ATOM 207 O ALA A 14 3.964 19.520 -30.743 1.00 0.00 O ATOM 208 CB ALA A 14 4.940 16.429 -30.456 1.00 0.00 C ATOM 0 H ALA A 14 2.655 17.839 -31.644 1.00 0.00 H new ATOM 0 HA ALA A 14 3.429 16.881 -28.993 1.00 0.00 H new ATOM 0 HB1 ALA A 14 5.762 16.529 -29.747 1.00 0.00 H new ATOM 0 HB2 ALA A 14 4.653 15.380 -30.533 1.00 0.00 H new ATOM 0 HB3 ALA A 14 5.258 16.791 -31.434 1.00 0.00 H new ATOM 214 N VAL A 15 4.615 19.127 -28.623 1.00 0.00 N ATOM 215 CA VAL A 15 4.996 20.515 -28.292 1.00 0.00 C ATOM 216 C VAL A 15 6.505 20.650 -28.008 1.00 0.00 C ATOM 217 O VAL A 15 7.072 19.845 -27.269 1.00 0.00 O ATOM 218 CB VAL A 15 4.154 21.088 -27.132 1.00 0.00 C ATOM 219 CG1 VAL A 15 2.707 21.327 -27.583 1.00 0.00 C ATOM 220 CG2 VAL A 15 4.124 20.213 -25.870 1.00 0.00 C ATOM 0 H VAL A 15 4.770 18.476 -27.853 1.00 0.00 H new ATOM 0 HA VAL A 15 4.778 21.113 -29.177 1.00 0.00 H new ATOM 0 HB VAL A 15 4.650 22.021 -26.866 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.129 21.731 -26.752 1.00 0.00 H new ATOM 0 HG12 VAL A 15 2.696 22.036 -28.411 1.00 0.00 H new ATOM 0 HG13 VAL A 15 2.266 20.384 -27.907 1.00 0.00 H new ATOM 0 HG21 VAL A 15 3.510 20.694 -25.109 1.00 0.00 H new ATOM 0 HG22 VAL A 15 3.703 19.238 -26.114 1.00 0.00 H new ATOM 0 HG23 VAL A 15 5.138 20.086 -25.491 1.00 0.00 H new ATOM 230 N SER A 16 7.212 21.648 -28.549 1.00 0.00 N ATOM 231 CA SER A 16 6.795 22.592 -29.606 1.00 0.00 C ATOM 232 C SER A 16 6.574 21.901 -30.968 1.00 0.00 C ATOM 233 O SER A 16 6.866 20.713 -31.134 1.00 0.00 O ATOM 234 CB SER A 16 7.832 23.721 -29.714 1.00 0.00 C ATOM 235 OG SER A 16 9.120 23.204 -30.011 1.00 0.00 O ATOM 0 H SER A 16 8.165 21.836 -28.239 1.00 0.00 H new ATOM 0 HA SER A 16 5.829 23.010 -29.324 1.00 0.00 H new ATOM 0 HB2 SER A 16 7.530 24.423 -30.491 1.00 0.00 H new ATOM 0 HB3 SER A 16 7.867 24.278 -28.778 1.00 0.00 H new ATOM 0 HG SER A 16 9.762 23.942 -30.076 1.00 0.00 H new ATOM 241 N TYR A 17 6.023 22.628 -31.949 1.00 0.00 N ATOM 242 CA TYR A 17 5.238 22.030 -33.038 1.00 0.00 C ATOM 243 C TYR A 17 5.925 22.065 -34.410 1.00 0.00 C ATOM 244 O TYR A 17 6.387 23.106 -34.883 1.00 0.00 O ATOM 245 CB TYR A 17 3.863 22.720 -33.128 1.00 0.00 C ATOM 246 CG TYR A 17 2.702 21.848 -32.698 1.00 0.00 C ATOM 247 CD1 TYR A 17 2.246 20.841 -33.567 1.00 0.00 C ATOM 248 CD2 TYR A 17 2.074 22.041 -31.453 1.00 0.00 C ATOM 249 CE1 TYR A 17 1.158 20.026 -33.212 1.00 0.00 C ATOM 250 CE2 TYR A 17 0.990 21.223 -31.083 1.00 0.00 C ATOM 251 CZ TYR A 17 0.520 20.223 -31.965 1.00 0.00 C ATOM 252 OH TYR A 17 -0.554 19.466 -31.610 1.00 0.00 O ATOM 0 H TYR A 17 6.108 23.643 -32.011 1.00 0.00 H new ATOM 0 HA TYR A 17 5.130 20.975 -32.784 1.00 0.00 H new ATOM 0 HB2 TYR A 17 3.878 23.617 -32.509 1.00 0.00 H new ATOM 0 HB3 TYR A 17 3.698 23.044 -34.155 1.00 0.00 H new ATOM 0 HD1 TYR A 17 2.737 20.692 -34.517 1.00 0.00 H new ATOM 0 HD2 TYR A 17 2.423 22.814 -30.784 1.00 0.00 H new ATOM 0 HE1 TYR A 17 0.812 19.256 -33.885 1.00 0.00 H new ATOM 0 HE2 TYR A 17 0.516 21.360 -30.122 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.865 19.736 -30.721 1.00 0.00 H new ATOM 262 N GLU A 18 5.899 20.907 -35.076 1.00 0.00 N ATOM 263 CA GLU A 18 6.284 20.698 -36.486 1.00 0.00 C ATOM 264 C GLU A 18 5.228 19.886 -37.275 1.00 0.00 C ATOM 265 O GLU A 18 5.401 19.601 -38.462 1.00 0.00 O ATOM 266 CB GLU A 18 7.667 20.022 -36.554 1.00 0.00 C ATOM 267 CG GLU A 18 8.782 20.882 -35.941 1.00 0.00 C ATOM 268 CD GLU A 18 10.149 20.195 -36.070 1.00 0.00 C ATOM 269 OE1 GLU A 18 10.406 19.199 -35.356 1.00 0.00 O ATOM 270 OE2 GLU A 18 11.007 20.657 -36.860 1.00 0.00 O ATOM 0 H GLU A 18 5.594 20.042 -34.629 1.00 0.00 H new ATOM 0 HA GLU A 18 6.338 21.676 -36.964 1.00 0.00 H new ATOM 0 HB2 GLU A 18 7.625 19.065 -36.033 1.00 0.00 H new ATOM 0 HB3 GLU A 18 7.911 19.808 -37.595 1.00 0.00 H new ATOM 0 HG2 GLU A 18 8.811 21.852 -36.438 1.00 0.00 H new ATOM 0 HG3 GLU A 18 8.564 21.069 -34.890 1.00 0.00 H new ATOM 277 N THR A 19 4.126 19.518 -36.612 1.00 0.00 N ATOM 278 CA THR A 19 3.060 18.605 -37.083 1.00 0.00 C ATOM 279 C THR A 19 1.651 19.221 -37.015 1.00 0.00 C ATOM 280 O THR A 19 0.644 18.509 -36.994 1.00 0.00 O ATOM 281 CB THR A 19 3.126 17.262 -36.328 1.00 0.00 C ATOM 282 OG1 THR A 19 3.071 17.471 -34.932 1.00 0.00 O ATOM 283 CG2 THR A 19 4.425 16.510 -36.624 1.00 0.00 C ATOM 0 H THR A 19 3.936 19.868 -35.673 1.00 0.00 H new ATOM 0 HA THR A 19 3.249 18.424 -38.141 1.00 0.00 H new ATOM 0 HB THR A 19 2.272 16.675 -36.667 1.00 0.00 H new ATOM 0 HG1 THR A 19 2.932 16.614 -34.478 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.434 15.569 -36.074 1.00 0.00 H new ATOM 0 HG22 THR A 19 4.492 16.306 -37.693 1.00 0.00 H new ATOM 0 HG23 THR A 19 5.276 17.118 -36.317 1.00 0.00 H new ATOM 291 N ASP A 20 1.559 20.555 -36.980 1.00 0.00 N ATOM 292 CA ASP A 20 0.292 21.295 -36.883 1.00 0.00 C ATOM 293 C ASP A 20 -0.540 21.224 -38.184 1.00 0.00 C ATOM 294 O ASP A 20 0.002 21.090 -39.288 1.00 0.00 O ATOM 295 CB ASP A 20 0.585 22.748 -36.465 1.00 0.00 C ATOM 296 CG ASP A 20 -0.684 23.560 -36.146 1.00 0.00 C ATOM 297 OD1 ASP A 20 -1.667 22.975 -35.633 1.00 0.00 O ATOM 298 OD2 ASP A 20 -0.694 24.788 -36.400 1.00 0.00 O ATOM 0 H ASP A 20 2.377 21.163 -37.019 1.00 0.00 H new ATOM 0 HA ASP A 20 -0.325 20.822 -36.119 1.00 0.00 H new ATOM 0 HB2 ASP A 20 1.234 22.743 -35.589 1.00 0.00 H new ATOM 0 HB3 ASP A 20 1.134 23.245 -37.265 1.00 0.00 H new ATOM 303 N ARG A 21 -1.870 21.329 -38.059 1.00 0.00 N ATOM 304 CA ARG A 21 -2.833 21.278 -39.177 1.00 0.00 C ATOM 305 C ARG A 21 -2.742 22.517 -40.078 1.00 0.00 C ATOM 306 O ARG A 21 -2.549 23.630 -39.584 1.00 0.00 O ATOM 307 CB ARG A 21 -4.254 20.989 -38.642 1.00 0.00 C ATOM 308 CG ARG A 21 -4.828 22.024 -37.653 1.00 0.00 C ATOM 309 CD ARG A 21 -5.574 23.176 -38.342 1.00 0.00 C ATOM 310 NE ARG A 21 -5.804 24.307 -37.427 1.00 0.00 N ATOM 311 CZ ARG A 21 -4.939 25.234 -37.062 1.00 0.00 C ATOM 312 NH1 ARG A 21 -3.711 25.278 -37.497 1.00 0.00 N ATOM 313 NH2 ARG A 21 -5.336 26.150 -36.232 1.00 0.00 N ATOM 0 H ARG A 21 -2.322 21.455 -37.154 1.00 0.00 H new ATOM 0 HA ARG A 21 -2.569 20.447 -39.832 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -4.932 20.913 -39.492 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -4.245 20.015 -38.153 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -5.507 21.521 -36.965 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -4.014 22.434 -37.054 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -4.999 23.517 -39.203 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -6.530 22.815 -38.720 1.00 0.00 H new ATOM 0 HE ARG A 21 -6.740 24.382 -37.030 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -3.377 24.572 -38.153 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -3.084 26.018 -37.181 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -6.294 26.140 -35.881 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -4.690 26.880 -35.931 1.00 0.00 H new ATOM 327 N ASN A 22 -2.912 22.330 -41.389 1.00 0.00 N ATOM 328 CA ASN A 22 -2.655 23.354 -42.415 1.00 0.00 C ATOM 329 C ASN A 22 -3.615 24.560 -42.349 1.00 0.00 C ATOM 330 O ASN A 22 -3.186 25.707 -42.495 1.00 0.00 O ATOM 331 CB ASN A 22 -2.715 22.662 -43.790 1.00 0.00 C ATOM 332 CG ASN A 22 -2.452 23.625 -44.938 1.00 0.00 C ATOM 333 OD1 ASN A 22 -1.318 23.967 -45.244 1.00 0.00 O ATOM 334 ND2 ASN A 22 -3.481 24.106 -45.601 1.00 0.00 N ATOM 0 H ASN A 22 -3.239 21.446 -41.779 1.00 0.00 H new ATOM 0 HA ASN A 22 -1.669 23.782 -42.235 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -1.981 21.856 -43.820 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -3.696 22.205 -43.921 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -3.332 24.762 -46.368 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -4.428 23.823 -45.349 1.00 0.00 H new ATOM 341 N HIS A 23 -4.907 24.304 -42.125 1.00 0.00 N ATOM 342 CA HIS A 23 -5.978 25.307 -42.059 1.00 0.00 C ATOM 343 C HIS A 23 -7.068 24.875 -41.072 1.00 0.00 C ATOM 344 O HIS A 23 -7.345 23.683 -40.926 1.00 0.00 O ATOM 345 CB HIS A 23 -6.560 25.548 -43.463 1.00 0.00 C ATOM 346 CG HIS A 23 -7.105 24.308 -44.135 1.00 0.00 C ATOM 347 ND1 HIS A 23 -6.363 23.418 -44.922 1.00 0.00 N ATOM 348 CD2 HIS A 23 -8.395 23.868 -44.071 1.00 0.00 C ATOM 349 CE1 HIS A 23 -7.225 22.463 -45.310 1.00 0.00 C ATOM 350 NE2 HIS A 23 -8.450 22.708 -44.814 1.00 0.00 N ATOM 0 H HIS A 23 -5.251 23.355 -41.979 1.00 0.00 H new ATOM 0 HA HIS A 23 -5.560 26.245 -41.695 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -7.358 26.287 -43.390 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -5.784 25.978 -44.096 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -9.212 24.336 -43.542 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -6.970 21.618 -45.932 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -9.280 22.133 -44.962 1.00 0.00 H new ATOM 358 N ASP A 24 -7.675 25.833 -40.369 1.00 0.00 N ATOM 359 CA ASP A 24 -8.609 25.546 -39.274 1.00 0.00 C ATOM 360 C ASP A 24 -10.014 25.145 -39.745 1.00 0.00 C ATOM 361 O ASP A 24 -10.459 25.494 -40.842 1.00 0.00 O ATOM 362 CB ASP A 24 -8.670 26.726 -38.294 1.00 0.00 C ATOM 363 CG ASP A 24 -8.982 26.270 -36.863 1.00 0.00 C ATOM 364 OD1 ASP A 24 -8.100 25.614 -36.257 1.00 0.00 O ATOM 365 OD2 ASP A 24 -10.087 26.563 -36.357 1.00 0.00 O ATOM 0 H ASP A 24 -7.535 26.829 -40.541 1.00 0.00 H new ATOM 0 HA ASP A 24 -8.213 24.671 -38.758 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -7.718 27.256 -38.306 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -9.432 27.432 -38.624 1.00 0.00 H new ATOM 370 N LEU A 25 -10.715 24.427 -38.867 1.00 0.00 N ATOM 371 CA LEU A 25 -12.094 23.966 -39.030 1.00 0.00 C ATOM 372 C LEU A 25 -12.837 24.117 -37.693 1.00 0.00 C ATOM 373 O LEU A 25 -12.313 23.727 -36.647 1.00 0.00 O ATOM 374 CB LEU A 25 -12.107 22.494 -39.493 1.00 0.00 C ATOM 375 CG LEU A 25 -11.567 22.229 -40.913 1.00 0.00 C ATOM 376 CD1 LEU A 25 -11.513 20.721 -41.165 1.00 0.00 C ATOM 377 CD2 LEU A 25 -12.449 22.851 -41.999 1.00 0.00 C ATOM 0 H LEU A 25 -10.315 24.136 -37.975 1.00 0.00 H new ATOM 0 HA LEU A 25 -12.596 24.568 -39.788 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -11.521 21.906 -38.787 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -13.132 22.126 -39.440 1.00 0.00 H new ATOM 0 HG LEU A 25 -10.577 22.682 -40.965 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -11.131 20.533 -42.169 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -10.855 20.253 -40.433 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -12.514 20.301 -41.073 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -12.025 22.635 -42.980 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -13.453 22.431 -41.937 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -12.498 23.930 -41.854 1.00 0.00 H new ATOM 389 N ALA A 26 -14.056 24.660 -37.746 1.00 0.00 N ATOM 390 CA ALA A 26 -14.919 24.955 -36.593 1.00 0.00 C ATOM 391 C ALA A 26 -14.216 25.789 -35.483 1.00 0.00 C ATOM 392 O ALA A 26 -13.874 25.246 -34.424 1.00 0.00 O ATOM 393 CB ALA A 26 -15.543 23.639 -36.101 1.00 0.00 C ATOM 0 H ALA A 26 -14.490 24.919 -38.632 1.00 0.00 H new ATOM 0 HA ALA A 26 -15.724 25.618 -36.910 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -16.187 23.839 -35.245 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -16.133 23.194 -36.902 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -14.752 22.949 -35.806 1.00 0.00 H new ATOM 399 N PRO A 27 -13.993 27.104 -35.704 1.00 0.00 N ATOM 400 CA PRO A 27 -13.309 27.990 -34.757 1.00 0.00 C ATOM 401 C PRO A 27 -14.056 28.188 -33.428 1.00 0.00 C ATOM 402 O PRO A 27 -15.210 27.778 -33.260 1.00 0.00 O ATOM 403 CB PRO A 27 -13.121 29.330 -35.488 1.00 0.00 C ATOM 404 CG PRO A 27 -13.232 28.961 -36.964 1.00 0.00 C ATOM 405 CD PRO A 27 -14.272 27.847 -36.925 1.00 0.00 C ATOM 0 HA PRO A 27 -12.361 27.538 -34.464 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -13.883 30.053 -35.199 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -12.154 29.778 -35.260 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -13.557 29.804 -37.574 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -12.281 28.620 -37.374 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -15.283 28.253 -36.916 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -14.194 27.205 -37.803 1.00 0.00 H new ATOM 413 N ARG A 28 -13.390 28.861 -32.482 1.00 0.00 N ATOM 414 CA ARG A 28 -13.911 29.172 -31.140 1.00 0.00 C ATOM 415 C ARG A 28 -13.561 30.579 -30.629 1.00 0.00 C ATOM 416 O ARG A 28 -12.702 31.265 -31.181 1.00 0.00 O ATOM 417 CB ARG A 28 -13.490 28.058 -30.163 1.00 0.00 C ATOM 418 CG ARG A 28 -12.003 28.083 -29.777 1.00 0.00 C ATOM 419 CD ARG A 28 -11.674 26.925 -28.826 1.00 0.00 C ATOM 420 NE ARG A 28 -10.254 26.944 -28.426 1.00 0.00 N ATOM 421 CZ ARG A 28 -9.671 26.146 -27.548 1.00 0.00 C ATOM 422 NH1 ARG A 28 -10.323 25.204 -26.926 1.00 0.00 N ATOM 423 NH2 ARG A 28 -8.406 26.282 -27.274 1.00 0.00 N ATOM 0 H ARG A 28 -12.445 29.216 -32.631 1.00 0.00 H new ATOM 0 HA ARG A 28 -14.998 29.196 -31.211 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -14.090 28.140 -29.257 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -13.721 27.092 -30.611 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -11.387 28.011 -30.674 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -11.761 29.033 -29.300 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -12.304 26.990 -27.939 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -11.904 25.977 -29.312 1.00 0.00 H new ATOM 0 HE ARG A 28 -9.662 27.644 -28.872 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -11.316 25.064 -27.111 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -9.840 24.607 -26.255 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -7.859 27.007 -27.738 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -7.962 25.663 -26.596 1.00 0.00 H new ATOM 437 N GLN A 29 -14.244 30.978 -29.558 1.00 0.00 N ATOM 438 CA GLN A 29 -14.176 32.264 -28.859 1.00 0.00 C ATOM 439 C GLN A 29 -14.086 32.009 -27.353 1.00 0.00 C ATOM 440 O GLN A 29 -15.002 31.466 -26.743 1.00 0.00 O ATOM 441 CB GLN A 29 -15.440 33.106 -29.126 1.00 0.00 C ATOM 442 CG GLN A 29 -15.762 33.358 -30.609 1.00 0.00 C ATOM 443 CD GLN A 29 -17.157 32.868 -30.970 1.00 0.00 C ATOM 444 OE1 GLN A 29 -17.986 33.589 -31.508 1.00 0.00 O ATOM 445 NE2 GLN A 29 -17.447 31.618 -30.678 1.00 0.00 N ATOM 0 H GLN A 29 -14.920 30.355 -29.116 1.00 0.00 H new ATOM 0 HA GLN A 29 -13.301 32.804 -29.221 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -16.293 32.607 -28.666 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -15.327 34.069 -28.627 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -15.683 34.424 -30.823 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -15.025 32.852 -31.233 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -16.750 31.024 -30.229 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -18.369 31.243 -30.900 1.00 0.00 H new ATOM 454 N ILE A 30 -12.989 32.418 -26.741 1.00 0.00 N ATOM 455 CA ILE A 30 -12.775 32.359 -25.291 1.00 0.00 C ATOM 456 C ILE A 30 -13.210 33.690 -24.666 1.00 0.00 C ATOM 457 O ILE A 30 -12.519 34.704 -24.802 1.00 0.00 O ATOM 458 CB ILE A 30 -11.308 32.010 -24.944 1.00 0.00 C ATOM 459 CG1 ILE A 30 -10.715 30.849 -25.777 1.00 0.00 C ATOM 460 CG2 ILE A 30 -11.197 31.709 -23.437 1.00 0.00 C ATOM 461 CD1 ILE A 30 -11.499 29.536 -25.742 1.00 0.00 C ATOM 0 H ILE A 30 -12.195 32.813 -27.246 1.00 0.00 H new ATOM 0 HA ILE A 30 -13.384 31.558 -24.872 1.00 0.00 H new ATOM 0 HB ILE A 30 -10.710 32.883 -25.205 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -10.635 31.175 -26.814 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -9.702 30.655 -25.425 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -10.164 31.463 -23.190 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -11.507 32.585 -22.867 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -11.841 30.866 -23.186 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -10.993 28.794 -26.360 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -11.558 29.175 -24.715 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -12.505 29.703 -26.126 1.00 0.00 H new ATOM 473 N ALA A 31 -14.347 33.689 -23.970 1.00 0.00 N ATOM 474 CA ALA A 31 -14.782 34.797 -23.121 1.00 0.00 C ATOM 475 C ALA A 31 -14.411 34.542 -21.650 1.00 0.00 C ATOM 476 O ALA A 31 -14.196 33.403 -21.235 1.00 0.00 O ATOM 477 CB ALA A 31 -16.287 35.010 -23.316 1.00 0.00 C ATOM 0 H ALA A 31 -15.001 32.906 -23.981 1.00 0.00 H new ATOM 0 HA ALA A 31 -14.265 35.712 -23.411 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -16.622 35.835 -22.687 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -16.489 35.245 -24.361 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -16.822 34.102 -23.039 1.00 0.00 H new ATOM 483 N ARG A 32 -14.371 35.606 -20.846 1.00 0.00 N ATOM 484 CA ARG A 32 -14.259 35.544 -19.379 1.00 0.00 C ATOM 485 C ARG A 32 -15.544 36.031 -18.722 1.00 0.00 C ATOM 486 O ARG A 32 -16.239 36.888 -19.274 1.00 0.00 O ATOM 487 CB ARG A 32 -13.029 36.339 -18.902 1.00 0.00 C ATOM 488 CG ARG A 32 -11.778 35.454 -18.820 1.00 0.00 C ATOM 489 CD ARG A 32 -10.491 36.285 -18.819 1.00 0.00 C ATOM 490 NE ARG A 32 -10.281 37.057 -17.576 1.00 0.00 N ATOM 491 CZ ARG A 32 -9.222 37.800 -17.303 1.00 0.00 C ATOM 492 NH1 ARG A 32 -8.170 37.831 -18.074 1.00 0.00 N ATOM 493 NH2 ARG A 32 -9.206 38.562 -16.255 1.00 0.00 N ATOM 0 H ARG A 32 -14.416 36.561 -21.201 1.00 0.00 H new ATOM 0 HA ARG A 32 -14.116 34.506 -19.077 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -12.844 37.168 -19.585 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -13.233 36.772 -17.923 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -11.820 34.848 -17.915 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -11.765 34.765 -19.664 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.640 35.621 -18.971 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -10.513 36.973 -19.664 1.00 0.00 H new ATOM 0 HE ARG A 32 -11.015 37.013 -16.869 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -8.144 37.268 -18.924 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -7.374 38.418 -17.827 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -10.014 38.592 -15.634 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -8.385 39.132 -16.051 1.00 0.00 H new ATOM 507 N TYR A 33 -15.824 35.521 -17.524 1.00 0.00 N ATOM 508 CA TYR A 33 -16.943 35.952 -16.687 1.00 0.00 C ATOM 509 C TYR A 33 -16.546 36.000 -15.206 1.00 0.00 C ATOM 510 O TYR A 33 -15.819 35.132 -14.721 1.00 0.00 O ATOM 511 CB TYR A 33 -18.154 35.031 -16.864 1.00 0.00 C ATOM 512 CG TYR A 33 -18.754 34.963 -18.251 1.00 0.00 C ATOM 513 CD1 TYR A 33 -18.150 34.190 -19.258 1.00 0.00 C ATOM 514 CD2 TYR A 33 -19.952 35.644 -18.513 1.00 0.00 C ATOM 515 CE1 TYR A 33 -18.767 34.078 -20.517 1.00 0.00 C ATOM 516 CE2 TYR A 33 -20.558 35.550 -19.774 1.00 0.00 C ATOM 517 CZ TYR A 33 -19.992 34.730 -20.763 1.00 0.00 C ATOM 518 OH TYR A 33 -20.663 34.533 -21.921 1.00 0.00 O ATOM 0 H TYR A 33 -15.267 34.780 -17.098 1.00 0.00 H new ATOM 0 HA TYR A 33 -17.214 36.957 -17.010 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -17.862 34.023 -16.569 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -18.932 35.353 -16.171 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -17.216 33.684 -19.066 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -20.410 36.243 -17.740 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -18.302 33.492 -21.296 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -21.459 36.108 -19.984 1.00 0.00 H new ATOM 0 HH TYR A 33 -21.335 35.238 -22.034 1.00 0.00 H new ATOM 528 N ARG A 34 -17.047 37.010 -14.488 1.00 0.00 N ATOM 529 CA ARG A 34 -16.768 37.305 -13.074 1.00 0.00 C ATOM 530 C ARG A 34 -17.982 36.996 -12.200 1.00 0.00 C ATOM 531 O ARG A 34 -19.068 37.513 -12.458 1.00 0.00 O ATOM 532 CB ARG A 34 -16.346 38.780 -12.970 1.00 0.00 C ATOM 533 CG ARG A 34 -15.869 39.177 -11.567 1.00 0.00 C ATOM 534 CD ARG A 34 -15.292 40.596 -11.611 1.00 0.00 C ATOM 535 NE ARG A 34 -14.851 41.057 -10.280 1.00 0.00 N ATOM 536 CZ ARG A 34 -13.621 41.080 -9.795 1.00 0.00 C ATOM 537 NH1 ARG A 34 -12.574 40.682 -10.460 1.00 0.00 N ATOM 538 NH2 ARG A 34 -13.414 41.522 -8.586 1.00 0.00 N ATOM 0 H ARG A 34 -17.695 37.683 -14.898 1.00 0.00 H new ATOM 0 HA ARG A 34 -15.960 36.672 -12.708 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -15.547 38.974 -13.686 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -17.188 39.412 -13.253 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -16.699 39.131 -10.862 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -15.113 38.475 -11.215 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -14.449 40.623 -12.301 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -16.045 41.281 -12.001 1.00 0.00 H new ATOM 0 HE ARG A 34 -15.584 41.399 -9.659 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -12.678 40.328 -11.411 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -11.650 40.725 -10.030 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -14.198 41.847 -8.021 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -12.468 41.543 -8.206 1.00 0.00 H new ATOM 552 N THR A 35 -17.800 36.161 -11.182 1.00 0.00 N ATOM 553 CA THR A 35 -18.853 35.727 -10.246 1.00 0.00 C ATOM 554 C THR A 35 -19.126 36.790 -9.181 1.00 0.00 C ATOM 555 O THR A 35 -18.447 37.818 -9.107 1.00 0.00 O ATOM 556 CB THR A 35 -18.518 34.409 -9.539 1.00 0.00 C ATOM 557 OG1 THR A 35 -17.370 34.571 -8.759 1.00 0.00 O ATOM 558 CG2 THR A 35 -18.300 33.253 -10.497 1.00 0.00 C ATOM 0 H THR A 35 -16.890 35.750 -10.972 1.00 0.00 H new ATOM 0 HA THR A 35 -19.740 35.575 -10.861 1.00 0.00 H new ATOM 0 HB THR A 35 -19.381 34.162 -8.921 1.00 0.00 H new ATOM 0 HG1 THR A 35 -16.599 34.735 -9.342 1.00 0.00 H new ATOM 0 HG21 THR A 35 -18.067 32.351 -9.931 1.00 0.00 H new ATOM 0 HG22 THR A 35 -19.205 33.090 -11.083 1.00 0.00 H new ATOM 0 HG23 THR A 35 -17.472 33.486 -11.166 1.00 0.00 H new ATOM 566 N ASP A 36 -20.085 36.525 -8.294 1.00 0.00 N ATOM 567 CA ASP A 36 -20.464 37.467 -7.241 1.00 0.00 C ATOM 568 C ASP A 36 -19.426 37.590 -6.109 1.00 0.00 C ATOM 569 O ASP A 36 -19.436 38.592 -5.390 1.00 0.00 O ATOM 570 CB ASP A 36 -21.857 37.094 -6.718 1.00 0.00 C ATOM 571 CG ASP A 36 -22.450 38.167 -5.786 1.00 0.00 C ATOM 572 OD1 ASP A 36 -22.732 39.292 -6.262 1.00 0.00 O ATOM 573 OD2 ASP A 36 -22.677 37.874 -4.587 1.00 0.00 O ATOM 0 H ASP A 36 -20.619 35.656 -8.285 1.00 0.00 H new ATOM 0 HA ASP A 36 -20.494 38.464 -7.680 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -22.529 36.941 -7.563 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -21.798 36.146 -6.183 1.00 0.00 H new ATOM 578 N ASN A 37 -18.479 36.644 -5.983 1.00 0.00 N ATOM 579 CA ASN A 37 -17.346 36.807 -5.055 1.00 0.00 C ATOM 580 C ASN A 37 -16.131 37.511 -5.713 1.00 0.00 C ATOM 581 O ASN A 37 -15.076 37.641 -5.088 1.00 0.00 O ATOM 582 CB ASN A 37 -16.936 35.476 -4.414 1.00 0.00 C ATOM 583 CG ASN A 37 -18.056 34.527 -4.028 1.00 0.00 C ATOM 584 OD1 ASN A 37 -19.117 34.898 -3.546 1.00 0.00 O ATOM 585 ND2 ASN A 37 -17.816 33.252 -4.211 1.00 0.00 N ATOM 0 H ASN A 37 -18.474 35.768 -6.506 1.00 0.00 H new ATOM 0 HA ASN A 37 -17.699 37.463 -4.260 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -16.274 34.956 -5.106 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -16.353 35.695 -3.519 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -18.517 32.559 -3.951 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -16.928 32.953 -4.614 1.00 0.00 H new ATOM 592 N GLY A 38 -16.248 37.914 -6.986 1.00 0.00 N ATOM 593 CA GLY A 38 -15.140 38.373 -7.832 1.00 0.00 C ATOM 594 C GLY A 38 -14.313 37.255 -8.467 1.00 0.00 C ATOM 595 O GLY A 38 -13.270 37.537 -9.057 1.00 0.00 O ATOM 0 H GLY A 38 -17.146 37.930 -7.470 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -15.544 39.003 -8.625 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.479 38.999 -7.233 1.00 0.00 H new ATOM 599 N GLU A 39 -14.738 35.996 -8.345 1.00 0.00 N ATOM 600 CA GLU A 39 -14.005 34.857 -8.916 1.00 0.00 C ATOM 601 C GLU A 39 -14.200 34.865 -10.438 1.00 0.00 C ATOM 602 O GLU A 39 -15.333 34.781 -10.912 1.00 0.00 O ATOM 603 CB GLU A 39 -14.455 33.509 -8.311 1.00 0.00 C ATOM 604 CG GLU A 39 -14.803 33.588 -6.820 1.00 0.00 C ATOM 605 CD GLU A 39 -14.569 32.312 -5.990 1.00 0.00 C ATOM 606 OE1 GLU A 39 -13.614 31.540 -6.250 1.00 0.00 O ATOM 607 OE2 GLU A 39 -15.337 32.120 -5.016 1.00 0.00 O ATOM 0 H GLU A 39 -15.592 35.735 -7.853 1.00 0.00 H new ATOM 0 HA GLU A 39 -12.948 34.964 -8.672 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -15.325 33.147 -8.859 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -13.662 32.775 -8.451 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -14.220 34.395 -6.376 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -15.853 33.866 -6.729 1.00 0.00 H new ATOM 614 N GLU A 40 -13.121 34.970 -11.207 1.00 0.00 N ATOM 615 CA GLU A 40 -13.183 35.011 -12.675 1.00 0.00 C ATOM 616 C GLU A 40 -12.797 33.668 -13.305 1.00 0.00 C ATOM 617 O GLU A 40 -11.771 33.068 -12.969 1.00 0.00 O ATOM 618 CB GLU A 40 -12.284 36.122 -13.239 1.00 0.00 C ATOM 619 CG GLU A 40 -12.970 37.482 -13.118 1.00 0.00 C ATOM 620 CD GLU A 40 -12.119 38.637 -13.663 1.00 0.00 C ATOM 621 OE1 GLU A 40 -11.478 38.476 -14.729 1.00 0.00 O ATOM 622 OE2 GLU A 40 -12.115 39.717 -13.027 1.00 0.00 O ATOM 0 H GLU A 40 -12.173 35.030 -10.835 1.00 0.00 H new ATOM 0 HA GLU A 40 -14.220 35.224 -12.935 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.336 36.138 -12.702 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -12.055 35.916 -14.284 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -13.918 37.453 -13.655 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -13.202 37.673 -12.070 1.00 0.00 H new ATOM 629 N PHE A 41 -13.627 33.226 -14.254 1.00 0.00 N ATOM 630 CA PHE A 41 -13.462 31.993 -15.028 1.00 0.00 C ATOM 631 C PHE A 41 -13.528 32.264 -16.536 1.00 0.00 C ATOM 632 O PHE A 41 -14.020 33.305 -16.973 1.00 0.00 O ATOM 633 CB PHE A 41 -14.533 30.977 -14.608 1.00 0.00 C ATOM 634 CG PHE A 41 -14.405 30.508 -13.170 1.00 0.00 C ATOM 635 CD1 PHE A 41 -14.955 31.251 -12.104 1.00 0.00 C ATOM 636 CD2 PHE A 41 -13.691 29.325 -12.893 1.00 0.00 C ATOM 637 CE1 PHE A 41 -14.760 30.818 -10.786 1.00 0.00 C ATOM 638 CE2 PHE A 41 -13.490 28.904 -11.568 1.00 0.00 C ATOM 639 CZ PHE A 41 -14.017 29.657 -10.510 1.00 0.00 C ATOM 0 H PHE A 41 -14.468 33.740 -14.515 1.00 0.00 H new ATOM 0 HA PHE A 41 -12.475 31.581 -14.818 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -15.518 31.423 -14.748 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -14.478 30.112 -15.268 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -15.523 32.148 -12.303 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -13.295 28.736 -13.707 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -15.186 31.384 -9.971 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -12.931 28.003 -11.365 1.00 0.00 H new ATOM 0 HZ PHE A 41 -13.853 29.347 -9.488 1.00 0.00 H new ATOM 649 N GLU A 42 -13.059 31.308 -17.339 1.00 0.00 N ATOM 650 CA GLU A 42 -13.054 31.372 -18.799 1.00 0.00 C ATOM 651 C GLU A 42 -14.067 30.374 -19.371 1.00 0.00 C ATOM 652 O GLU A 42 -14.107 29.210 -18.961 1.00 0.00 O ATOM 653 CB GLU A 42 -11.655 31.107 -19.385 1.00 0.00 C ATOM 654 CG GLU A 42 -10.501 31.854 -18.697 1.00 0.00 C ATOM 655 CD GLU A 42 -9.762 30.961 -17.678 1.00 0.00 C ATOM 656 OE1 GLU A 42 -8.834 30.217 -18.082 1.00 0.00 O ATOM 657 OE2 GLU A 42 -10.089 31.002 -16.467 1.00 0.00 O ATOM 0 H GLU A 42 -12.660 30.441 -16.979 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.339 32.384 -19.085 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -11.455 30.037 -19.334 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.664 31.379 -20.440 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -9.796 32.205 -19.450 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -10.891 32.737 -18.190 1.00 0.00 H new ATOM 664 N VAL A 43 -14.869 30.823 -20.335 1.00 0.00 N ATOM 665 CA VAL A 43 -15.878 30.012 -21.031 1.00 0.00 C ATOM 666 C VAL A 43 -15.559 29.954 -22.534 1.00 0.00 C ATOM 667 O VAL A 43 -15.679 30.974 -23.222 1.00 0.00 O ATOM 668 CB VAL A 43 -17.307 30.520 -20.783 1.00 0.00 C ATOM 669 CG1 VAL A 43 -18.330 29.561 -21.401 1.00 0.00 C ATOM 670 CG2 VAL A 43 -17.629 30.674 -19.291 1.00 0.00 C ATOM 0 H VAL A 43 -14.837 31.787 -20.666 1.00 0.00 H new ATOM 0 HA VAL A 43 -15.835 29.003 -20.622 1.00 0.00 H new ATOM 0 HB VAL A 43 -17.367 31.503 -21.251 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -19.337 29.935 -21.217 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -18.160 29.491 -22.475 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -18.222 28.574 -20.951 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -18.651 31.036 -19.175 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -17.527 29.709 -18.795 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -16.938 31.387 -18.841 1.00 0.00 H new ATOM 680 N PRO A 44 -15.136 28.792 -23.066 1.00 0.00 N ATOM 681 CA PRO A 44 -14.977 28.577 -24.501 1.00 0.00 C ATOM 682 C PRO A 44 -16.344 28.446 -25.202 1.00 0.00 C ATOM 683 O PRO A 44 -17.190 27.643 -24.800 1.00 0.00 O ATOM 684 CB PRO A 44 -14.143 27.295 -24.628 1.00 0.00 C ATOM 685 CG PRO A 44 -14.466 26.512 -23.356 1.00 0.00 C ATOM 686 CD PRO A 44 -14.753 27.600 -22.321 1.00 0.00 C ATOM 0 HA PRO A 44 -14.484 29.419 -24.987 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -14.412 26.732 -25.522 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -13.078 27.518 -24.699 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -15.326 25.857 -23.497 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -13.631 25.881 -23.052 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -15.551 27.292 -21.646 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -13.873 27.793 -21.707 1.00 0.00 H new ATOM 694 N PHE A 45 -16.535 29.203 -26.282 1.00 0.00 N ATOM 695 CA PHE A 45 -17.713 29.160 -27.167 1.00 0.00 C ATOM 696 C PHE A 45 -17.322 28.793 -28.599 1.00 0.00 C ATOM 697 O PHE A 45 -16.336 29.303 -29.119 1.00 0.00 O ATOM 698 CB PHE A 45 -18.418 30.523 -27.180 1.00 0.00 C ATOM 699 CG PHE A 45 -19.265 30.806 -25.956 1.00 0.00 C ATOM 700 CD1 PHE A 45 -18.679 31.394 -24.822 1.00 0.00 C ATOM 701 CD2 PHE A 45 -20.643 30.506 -25.955 1.00 0.00 C ATOM 702 CE1 PHE A 45 -19.467 31.696 -23.702 1.00 0.00 C ATOM 703 CE2 PHE A 45 -21.425 30.789 -24.819 1.00 0.00 C ATOM 704 CZ PHE A 45 -20.834 31.382 -23.689 1.00 0.00 C ATOM 0 H PHE A 45 -15.848 29.894 -26.582 1.00 0.00 H new ATOM 0 HA PHE A 45 -18.385 28.395 -26.778 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -17.665 31.306 -27.274 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -19.051 30.582 -28.065 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -17.622 31.613 -24.813 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -21.099 30.059 -26.826 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -19.018 32.174 -22.844 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -22.478 30.551 -24.815 1.00 0.00 H new ATOM 0 HZ PHE A 45 -21.431 31.595 -22.814 1.00 0.00 H new ATOM 714 N ALA A 46 -18.122 27.983 -29.283 1.00 0.00 N ATOM 715 CA ALA A 46 -17.904 27.619 -30.687 1.00 0.00 C ATOM 716 C ALA A 46 -18.424 28.712 -31.637 1.00 0.00 C ATOM 717 O ALA A 46 -19.289 29.503 -31.263 1.00 0.00 O ATOM 718 CB ALA A 46 -18.568 26.262 -30.952 1.00 0.00 C ATOM 0 H ALA A 46 -18.953 27.552 -28.877 1.00 0.00 H new ATOM 0 HA ALA A 46 -16.835 27.533 -30.881 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -18.414 25.979 -31.993 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -18.126 25.507 -30.301 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -19.637 26.334 -30.750 1.00 0.00 H new ATOM 724 N ASP A 47 -17.944 28.742 -32.881 1.00 0.00 N ATOM 725 CA ASP A 47 -18.364 29.696 -33.926 1.00 0.00 C ATOM 726 C ASP A 47 -19.872 29.621 -34.266 1.00 0.00 C ATOM 727 O ASP A 47 -20.451 30.578 -34.783 1.00 0.00 O ATOM 728 CB ASP A 47 -17.499 29.446 -35.172 1.00 0.00 C ATOM 729 CG ASP A 47 -17.775 30.453 -36.303 1.00 0.00 C ATOM 730 OD1 ASP A 47 -17.411 31.644 -36.155 1.00 0.00 O ATOM 731 OD2 ASP A 47 -18.316 30.046 -37.359 1.00 0.00 O ATOM 0 H ASP A 47 -17.232 28.088 -33.205 1.00 0.00 H new ATOM 0 HA ASP A 47 -18.214 30.707 -33.546 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -16.446 29.499 -34.894 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -17.682 28.436 -35.539 1.00 0.00 H new ATOM 736 N ASP A 48 -20.530 28.504 -33.933 1.00 0.00 N ATOM 737 CA ASP A 48 -21.988 28.326 -34.025 1.00 0.00 C ATOM 738 C ASP A 48 -22.776 29.119 -32.951 1.00 0.00 C ATOM 739 O ASP A 48 -23.994 29.282 -33.061 1.00 0.00 O ATOM 740 CB ASP A 48 -22.281 26.822 -33.927 1.00 0.00 C ATOM 741 CG ASP A 48 -23.747 26.472 -34.238 1.00 0.00 C ATOM 742 OD1 ASP A 48 -24.194 26.693 -35.391 1.00 0.00 O ATOM 743 OD2 ASP A 48 -24.447 25.929 -33.348 1.00 0.00 O ATOM 0 H ASP A 48 -20.051 27.675 -33.582 1.00 0.00 H new ATOM 0 HA ASP A 48 -22.327 28.730 -34.979 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -21.631 26.285 -34.618 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -22.036 26.475 -32.923 1.00 0.00 H new ATOM 748 N ALA A 49 -22.083 29.627 -31.926 1.00 0.00 N ATOM 749 CA ALA A 49 -22.623 30.389 -30.796 1.00 0.00 C ATOM 750 C ALA A 49 -22.009 31.803 -30.687 1.00 0.00 C ATOM 751 O ALA A 49 -20.924 32.075 -31.204 1.00 0.00 O ATOM 752 CB ALA A 49 -22.385 29.577 -29.515 1.00 0.00 C ATOM 0 H ALA A 49 -21.072 29.510 -31.860 1.00 0.00 H new ATOM 0 HA ALA A 49 -23.691 30.544 -30.952 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -22.779 30.124 -28.659 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -22.891 28.615 -29.595 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -21.316 29.414 -29.381 1.00 0.00 H new ATOM 758 N GLU A 50 -22.689 32.699 -29.966 1.00 0.00 N ATOM 759 CA GLU A 50 -22.204 34.044 -29.613 1.00 0.00 C ATOM 760 C GLU A 50 -22.396 34.326 -28.116 1.00 0.00 C ATOM 761 O GLU A 50 -23.411 33.948 -27.529 1.00 0.00 O ATOM 762 CB GLU A 50 -22.909 35.127 -30.447 1.00 0.00 C ATOM 763 CG GLU A 50 -22.396 35.167 -31.890 1.00 0.00 C ATOM 764 CD GLU A 50 -23.154 36.223 -32.718 1.00 0.00 C ATOM 765 OE1 GLU A 50 -22.725 37.403 -32.748 1.00 0.00 O ATOM 766 OE2 GLU A 50 -24.185 35.883 -33.350 1.00 0.00 O ATOM 0 H GLU A 50 -23.621 32.506 -29.599 1.00 0.00 H new ATOM 0 HA GLU A 50 -21.138 34.074 -29.838 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -23.983 34.940 -30.449 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -22.756 36.100 -29.981 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -21.330 35.393 -31.894 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -22.515 34.186 -32.349 1.00 0.00 H new ATOM 773 N ILE A 51 -21.413 35.009 -27.524 1.00 0.00 N ATOM 774 CA ILE A 51 -21.250 35.301 -26.091 1.00 0.00 C ATOM 775 C ILE A 51 -22.465 36.062 -25.531 1.00 0.00 C ATOM 776 O ILE A 51 -22.669 37.237 -25.862 1.00 0.00 O ATOM 777 CB ILE A 51 -19.957 36.111 -25.813 1.00 0.00 C ATOM 778 CG1 ILE A 51 -18.738 35.657 -26.653 1.00 0.00 C ATOM 779 CG2 ILE A 51 -19.610 36.082 -24.311 1.00 0.00 C ATOM 780 CD1 ILE A 51 -18.296 34.204 -26.464 1.00 0.00 C ATOM 0 H ILE A 51 -20.650 35.404 -28.073 1.00 0.00 H new ATOM 0 HA ILE A 51 -21.172 34.339 -25.585 1.00 0.00 H new ATOM 0 HB ILE A 51 -20.176 37.133 -26.122 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -18.971 35.811 -27.707 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -17.896 36.306 -26.414 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -18.700 36.656 -24.137 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -20.429 36.519 -23.740 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -19.455 35.051 -23.993 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -17.436 34.000 -27.101 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -18.023 34.039 -25.422 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -19.114 33.537 -26.734 1.00 0.00 H new ATOM 792 N PRO A 52 -23.277 35.419 -24.682 1.00 0.00 N ATOM 793 CA PRO A 52 -24.324 36.083 -23.921 1.00 0.00 C ATOM 794 C PRO A 52 -23.716 36.949 -22.806 1.00 0.00 C ATOM 795 O PRO A 52 -22.658 36.630 -22.257 1.00 0.00 O ATOM 796 CB PRO A 52 -25.194 34.948 -23.382 1.00 0.00 C ATOM 797 CG PRO A 52 -24.220 33.780 -23.234 1.00 0.00 C ATOM 798 CD PRO A 52 -23.174 34.019 -24.317 1.00 0.00 C ATOM 0 HA PRO A 52 -24.916 36.772 -24.523 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -25.650 35.212 -22.428 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -26.007 34.707 -24.067 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -23.768 33.763 -22.242 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -24.723 32.823 -23.372 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -22.174 33.786 -23.950 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -23.355 33.378 -25.180 1.00 0.00 H new ATOM 806 N GLY A 53 -24.406 38.037 -22.453 1.00 0.00 N ATOM 807 CA GLY A 53 -24.004 39.008 -21.419 1.00 0.00 C ATOM 808 C GLY A 53 -23.604 38.399 -20.066 1.00 0.00 C ATOM 809 O GLY A 53 -22.749 38.950 -19.370 1.00 0.00 O ATOM 0 H GLY A 53 -25.294 38.279 -22.893 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -23.165 39.591 -21.798 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -24.828 39.703 -21.257 1.00 0.00 H new ATOM 813 N THR A 54 -24.180 37.250 -19.696 1.00 0.00 N ATOM 814 CA THR A 54 -23.760 36.464 -18.529 1.00 0.00 C ATOM 815 C THR A 54 -23.779 34.948 -18.804 1.00 0.00 C ATOM 816 O THR A 54 -24.443 34.481 -19.735 1.00 0.00 O ATOM 817 CB THR A 54 -24.682 36.728 -17.318 1.00 0.00 C ATOM 818 OG1 THR A 54 -26.018 36.373 -17.625 1.00 0.00 O ATOM 819 CG2 THR A 54 -24.768 38.193 -16.896 1.00 0.00 C ATOM 0 H THR A 54 -24.960 36.834 -20.204 1.00 0.00 H new ATOM 0 HA THR A 54 -22.740 36.781 -18.313 1.00 0.00 H new ATOM 0 HB THR A 54 -24.237 36.135 -16.519 1.00 0.00 H new ATOM 0 HG1 THR A 54 -26.589 36.545 -16.847 1.00 0.00 H new ATOM 0 HG21 THR A 54 -25.436 38.286 -16.040 1.00 0.00 H new ATOM 0 HG22 THR A 54 -23.776 38.552 -16.623 1.00 0.00 H new ATOM 0 HG23 THR A 54 -25.154 38.788 -17.724 1.00 0.00 H new ATOM 827 N TRP A 55 -23.043 34.169 -17.999 1.00 0.00 N ATOM 828 CA TRP A 55 -22.901 32.707 -18.118 1.00 0.00 C ATOM 829 C TRP A 55 -22.467 32.062 -16.787 1.00 0.00 C ATOM 830 O TRP A 55 -21.750 32.676 -15.997 1.00 0.00 O ATOM 831 CB TRP A 55 -21.883 32.381 -19.216 1.00 0.00 C ATOM 832 CG TRP A 55 -21.840 30.947 -19.637 1.00 0.00 C ATOM 833 CD1 TRP A 55 -21.025 30.004 -19.123 1.00 0.00 C ATOM 834 CD2 TRP A 55 -22.622 30.267 -20.664 1.00 0.00 C ATOM 835 NE1 TRP A 55 -21.208 28.809 -19.783 1.00 0.00 N ATOM 836 CE2 TRP A 55 -22.196 28.906 -20.739 1.00 0.00 C ATOM 837 CE3 TRP A 55 -23.637 30.671 -21.554 1.00 0.00 C ATOM 838 CZ2 TRP A 55 -22.747 27.996 -21.654 1.00 0.00 C ATOM 839 CZ3 TRP A 55 -24.207 29.767 -22.471 1.00 0.00 C ATOM 840 CH2 TRP A 55 -23.763 28.431 -22.524 1.00 0.00 C ATOM 0 H TRP A 55 -22.510 34.551 -17.218 1.00 0.00 H new ATOM 0 HA TRP A 55 -23.875 32.293 -18.379 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -22.106 32.993 -20.090 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -20.892 32.671 -18.868 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -20.330 30.163 -18.312 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -20.679 27.959 -19.589 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -23.984 31.693 -21.532 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -22.396 26.975 -21.690 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -24.989 30.100 -23.137 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -24.202 27.742 -23.231 1.00 0.00 H new ATOM 851 N LEU A 56 -22.893 30.825 -16.511 1.00 0.00 N ATOM 852 CA LEU A 56 -22.560 30.107 -15.273 1.00 0.00 C ATOM 853 C LEU A 56 -21.071 29.705 -15.222 1.00 0.00 C ATOM 854 O LEU A 56 -20.562 29.036 -16.125 1.00 0.00 O ATOM 855 CB LEU A 56 -23.496 28.890 -15.125 1.00 0.00 C ATOM 856 CG LEU A 56 -24.135 28.756 -13.733 1.00 0.00 C ATOM 857 CD1 LEU A 56 -25.219 27.678 -13.754 1.00 0.00 C ATOM 858 CD2 LEU A 56 -23.115 28.366 -12.668 1.00 0.00 C ATOM 0 H LEU A 56 -23.484 30.288 -17.145 1.00 0.00 H new ATOM 0 HA LEU A 56 -22.716 30.774 -14.425 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -24.287 28.961 -15.871 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -22.932 27.983 -15.343 1.00 0.00 H new ATOM 0 HG LEU A 56 -24.554 29.732 -13.486 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -25.665 27.591 -12.763 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -25.989 27.950 -14.476 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -24.777 26.723 -14.038 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -23.612 28.283 -11.701 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -22.665 27.408 -12.928 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -22.338 29.128 -12.612 1.00 0.00 H new ATOM 870 N CYS A 57 -20.380 30.089 -14.151 1.00 0.00 N ATOM 871 CA CYS A 57 -18.958 29.809 -13.932 1.00 0.00 C ATOM 872 C CYS A 57 -18.724 28.509 -13.147 1.00 0.00 C ATOM 873 O CYS A 57 -19.612 28.018 -12.445 1.00 0.00 O ATOM 874 CB CYS A 57 -18.317 31.000 -13.212 1.00 0.00 C ATOM 875 SG CYS A 57 -18.197 32.414 -14.335 1.00 0.00 S ATOM 0 H CYS A 57 -20.803 30.618 -13.389 1.00 0.00 H new ATOM 0 HA CYS A 57 -18.490 29.666 -14.906 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -18.910 31.269 -12.338 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -17.325 30.726 -12.852 1.00 0.00 H new ATOM 0 HG CYS A 57 -17.654 33.418 -13.712 1.00 0.00 H new ATOM 881 N ARG A 58 -17.490 27.981 -13.195 1.00 0.00 N ATOM 882 CA ARG A 58 -17.117 26.703 -12.553 1.00 0.00 C ATOM 883 C ARG A 58 -17.147 26.734 -11.015 1.00 0.00 C ATOM 884 O ARG A 58 -17.186 25.676 -10.386 1.00 0.00 O ATOM 885 CB ARG A 58 -15.750 26.207 -13.060 1.00 0.00 C ATOM 886 CG ARG A 58 -15.655 26.098 -14.593 1.00 0.00 C ATOM 887 CD ARG A 58 -14.313 25.511 -15.057 1.00 0.00 C ATOM 888 NE ARG A 58 -14.127 24.106 -14.634 1.00 0.00 N ATOM 889 CZ ARG A 58 -14.583 23.018 -15.230 1.00 0.00 C ATOM 890 NH1 ARG A 58 -15.296 23.066 -16.321 1.00 0.00 N ATOM 891 NH2 ARG A 58 -14.329 21.841 -14.734 1.00 0.00 N ATOM 0 H ARG A 58 -16.715 28.430 -13.683 1.00 0.00 H new ATOM 0 HA ARG A 58 -17.891 25.995 -12.850 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -14.974 26.885 -12.705 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -15.544 25.230 -12.623 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -16.468 25.473 -14.961 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -15.788 27.086 -15.034 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -14.252 25.570 -16.144 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -13.499 26.117 -14.659 1.00 0.00 H new ATOM 0 HE ARG A 58 -13.584 23.960 -13.783 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -15.520 23.966 -16.745 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -15.629 22.203 -16.751 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -13.776 21.755 -13.881 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -14.683 21.005 -15.198 1.00 0.00 H new ATOM 905 N ASN A 59 -17.201 27.925 -10.407 1.00 0.00 N ATOM 906 CA ASN A 59 -17.463 28.107 -8.970 1.00 0.00 C ATOM 907 C ASN A 59 -18.906 27.703 -8.565 1.00 0.00 C ATOM 908 O ASN A 59 -19.199 27.479 -7.390 1.00 0.00 O ATOM 909 CB ASN A 59 -17.179 29.584 -8.642 1.00 0.00 C ATOM 910 CG ASN A 59 -17.385 30.006 -7.194 1.00 0.00 C ATOM 911 OD1 ASN A 59 -17.187 29.259 -6.247 1.00 0.00 O ATOM 912 ND2 ASN A 59 -17.729 31.258 -6.981 1.00 0.00 N ATOM 0 H ASN A 59 -17.062 28.804 -10.905 1.00 0.00 H new ATOM 0 HA ASN A 59 -16.813 27.448 -8.395 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -16.148 29.804 -8.919 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -17.817 30.203 -9.273 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -17.830 31.604 -6.027 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -17.895 31.883 -7.770 1.00 0.00 H new ATOM 919 N GLY A 60 -19.812 27.592 -9.541 1.00 0.00 N ATOM 920 CA GLY A 60 -21.241 27.319 -9.345 1.00 0.00 C ATOM 921 C GLY A 60 -22.096 28.584 -9.202 1.00 0.00 C ATOM 922 O GLY A 60 -23.257 28.489 -8.801 1.00 0.00 O ATOM 0 H GLY A 60 -19.563 27.693 -10.525 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -21.609 26.735 -10.189 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -21.366 26.704 -8.454 1.00 0.00 H new ATOM 926 N MET A 61 -21.539 29.761 -9.526 1.00 0.00 N ATOM 927 CA MET A 61 -22.234 31.052 -9.512 1.00 0.00 C ATOM 928 C MET A 61 -22.369 31.628 -10.927 1.00 0.00 C ATOM 929 O MET A 61 -21.499 31.434 -11.777 1.00 0.00 O ATOM 930 CB MET A 61 -21.497 32.012 -8.558 1.00 0.00 C ATOM 931 CG MET A 61 -22.309 33.269 -8.210 1.00 0.00 C ATOM 932 SD MET A 61 -23.969 32.956 -7.538 1.00 0.00 S ATOM 933 CE MET A 61 -24.580 34.655 -7.374 1.00 0.00 C ATOM 0 H MET A 61 -20.563 29.840 -9.813 1.00 0.00 H new ATOM 0 HA MET A 61 -23.250 30.913 -9.144 1.00 0.00 H new ATOM 0 HB2 MET A 61 -21.251 31.481 -7.638 1.00 0.00 H new ATOM 0 HB3 MET A 61 -20.554 32.313 -9.014 1.00 0.00 H new ATOM 0 HG2 MET A 61 -21.746 33.857 -7.485 1.00 0.00 H new ATOM 0 HG3 MET A 61 -22.407 33.879 -9.108 1.00 0.00 H new ATOM 0 HE1 MET A 61 -25.628 34.637 -7.074 1.00 0.00 H new ATOM 0 HE2 MET A 61 -23.995 35.181 -6.619 1.00 0.00 H new ATOM 0 HE3 MET A 61 -24.485 35.170 -8.330 1.00 0.00 H new ATOM 943 N GLU A 62 -23.450 32.363 -11.182 1.00 0.00 N ATOM 944 CA GLU A 62 -23.659 33.096 -12.435 1.00 0.00 C ATOM 945 C GLU A 62 -22.624 34.225 -12.572 1.00 0.00 C ATOM 946 O GLU A 62 -22.647 35.207 -11.824 1.00 0.00 O ATOM 947 CB GLU A 62 -25.096 33.640 -12.510 1.00 0.00 C ATOM 948 CG GLU A 62 -26.132 32.514 -12.636 1.00 0.00 C ATOM 949 CD GLU A 62 -27.559 33.085 -12.746 1.00 0.00 C ATOM 950 OE1 GLU A 62 -28.213 33.305 -11.697 1.00 0.00 O ATOM 951 OE2 GLU A 62 -28.043 33.312 -13.882 1.00 0.00 O ATOM 0 H GLU A 62 -24.217 32.469 -10.518 1.00 0.00 H new ATOM 0 HA GLU A 62 -23.521 32.410 -13.271 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -25.308 34.229 -11.618 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -25.185 34.312 -13.364 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -25.910 31.908 -13.515 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -26.066 31.856 -11.770 1.00 0.00 H new ATOM 958 N GLY A 63 -21.691 34.064 -13.510 1.00 0.00 N ATOM 959 CA GLY A 63 -20.687 35.064 -13.856 1.00 0.00 C ATOM 960 C GLY A 63 -21.199 36.076 -14.884 1.00 0.00 C ATOM 961 O GLY A 63 -21.987 35.733 -15.768 1.00 0.00 O ATOM 0 H GLY A 63 -21.612 33.211 -14.064 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -20.378 35.592 -12.954 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -19.803 34.565 -14.252 1.00 0.00 H new ATOM 965 N THR A 64 -20.705 37.312 -14.823 1.00 0.00 N ATOM 966 CA THR A 64 -20.990 38.362 -15.816 1.00 0.00 C ATOM 967 C THR A 64 -19.781 38.628 -16.703 1.00 0.00 C ATOM 968 O THR A 64 -18.654 38.645 -16.215 1.00 0.00 O ATOM 969 CB THR A 64 -21.439 39.668 -15.142 1.00 0.00 C ATOM 970 OG1 THR A 64 -22.572 39.427 -14.332 1.00 0.00 O ATOM 971 CG2 THR A 64 -21.821 40.763 -16.145 1.00 0.00 C ATOM 0 H THR A 64 -20.086 37.622 -14.074 1.00 0.00 H new ATOM 0 HA THR A 64 -21.806 37.996 -16.439 1.00 0.00 H new ATOM 0 HB THR A 64 -20.586 40.012 -14.557 1.00 0.00 H new ATOM 0 HG1 THR A 64 -22.852 40.263 -13.904 1.00 0.00 H new ATOM 0 HG21 THR A 64 -22.129 41.659 -15.606 1.00 0.00 H new ATOM 0 HG22 THR A 64 -20.962 40.995 -16.775 1.00 0.00 H new ATOM 0 HG23 THR A 64 -22.644 40.414 -16.769 1.00 0.00 H new ATOM 979 N LEU A 65 -20.012 38.809 -18.004 1.00 0.00 N ATOM 980 CA LEU A 65 -18.988 38.995 -19.033 1.00 0.00 C ATOM 981 C LEU A 65 -18.136 40.248 -18.734 1.00 0.00 C ATOM 982 O LEU A 65 -18.671 41.356 -18.644 1.00 0.00 O ATOM 983 CB LEU A 65 -19.733 39.051 -20.384 1.00 0.00 C ATOM 984 CG LEU A 65 -18.931 38.890 -21.690 1.00 0.00 C ATOM 985 CD1 LEU A 65 -19.858 39.237 -22.859 1.00 0.00 C ATOM 986 CD2 LEU A 65 -17.679 39.756 -21.826 1.00 0.00 C ATOM 0 H LEU A 65 -20.958 38.831 -18.386 1.00 0.00 H new ATOM 0 HA LEU A 65 -18.270 38.175 -19.058 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -20.497 38.274 -20.370 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -20.252 40.008 -20.433 1.00 0.00 H new ATOM 0 HG LEU A 65 -18.579 37.858 -21.685 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -19.315 39.131 -23.798 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -20.714 38.562 -22.857 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -20.206 40.265 -22.755 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -17.200 39.555 -22.784 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -17.957 40.809 -21.773 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -16.986 39.523 -21.018 1.00 0.00 H new ATOM 998 N ILE A 66 -16.817 40.074 -18.593 1.00 0.00 N ATOM 999 CA ILE A 66 -15.829 41.150 -18.375 1.00 0.00 C ATOM 1000 C ILE A 66 -14.705 41.126 -19.419 1.00 0.00 C ATOM 1001 O ILE A 66 -14.362 40.076 -19.969 1.00 0.00 O ATOM 1002 CB ILE A 66 -15.236 41.160 -16.940 1.00 0.00 C ATOM 1003 CG1 ILE A 66 -14.290 39.987 -16.584 1.00 0.00 C ATOM 1004 CG2 ILE A 66 -16.330 41.320 -15.874 1.00 0.00 C ATOM 1005 CD1 ILE A 66 -14.850 38.593 -16.769 1.00 0.00 C ATOM 0 H ILE A 66 -16.388 39.149 -18.628 1.00 0.00 H new ATOM 0 HA ILE A 66 -16.389 42.077 -18.496 1.00 0.00 H new ATOM 0 HB ILE A 66 -14.592 42.039 -16.940 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -13.390 40.077 -17.192 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -13.985 40.098 -15.543 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -15.875 41.322 -14.883 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -16.858 42.260 -16.033 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -17.034 40.491 -15.948 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -14.096 37.858 -16.488 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -15.731 38.468 -16.139 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -15.127 38.448 -17.813 1.00 0.00 H new ATOM 1017 N GLU A 67 -14.090 42.285 -19.659 1.00 0.00 N ATOM 1018 CA GLU A 67 -12.824 42.384 -20.397 1.00 0.00 C ATOM 1019 C GLU A 67 -11.650 41.859 -19.546 1.00 0.00 C ATOM 1020 O GLU A 67 -11.648 41.986 -18.319 1.00 0.00 O ATOM 1021 CB GLU A 67 -12.568 43.832 -20.846 1.00 0.00 C ATOM 1022 CG GLU A 67 -13.607 44.324 -21.865 1.00 0.00 C ATOM 1023 CD GLU A 67 -13.275 45.748 -22.349 1.00 0.00 C ATOM 1024 OE1 GLU A 67 -13.746 46.733 -21.728 1.00 0.00 O ATOM 1025 OE2 GLU A 67 -12.547 45.898 -23.362 1.00 0.00 O ATOM 0 H GLU A 67 -14.454 43.185 -19.347 1.00 0.00 H new ATOM 0 HA GLU A 67 -12.901 41.760 -21.288 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -12.580 44.487 -19.975 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -11.572 43.903 -21.284 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -13.636 43.644 -22.717 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -14.599 44.312 -21.413 1.00 0.00 H new ATOM 1032 N GLY A 68 -10.637 41.280 -20.199 1.00 0.00 N ATOM 1033 CA GLY A 68 -9.512 40.599 -19.538 1.00 0.00 C ATOM 1034 C GLY A 68 -8.550 41.487 -18.728 1.00 0.00 C ATOM 1035 O GLY A 68 -7.787 40.955 -17.919 1.00 0.00 O ATOM 0 H GLY A 68 -10.572 41.270 -21.217 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -9.918 39.839 -18.870 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -8.934 40.077 -20.301 1.00 0.00 H new ATOM 1039 N ASP A 69 -8.626 42.813 -18.910 1.00 0.00 N ATOM 1040 CA ASP A 69 -7.829 43.878 -18.271 1.00 0.00 C ATOM 1041 C ASP A 69 -6.308 43.867 -18.566 1.00 0.00 C ATOM 1042 O ASP A 69 -5.629 42.841 -18.477 1.00 0.00 O ATOM 1043 CB ASP A 69 -8.143 43.958 -16.767 1.00 0.00 C ATOM 1044 CG ASP A 69 -7.496 45.188 -16.117 1.00 0.00 C ATOM 1045 OD1 ASP A 69 -8.043 46.306 -16.262 1.00 0.00 O ATOM 1046 OD2 ASP A 69 -6.436 45.038 -15.464 1.00 0.00 O ATOM 0 H ASP A 69 -9.304 43.205 -19.564 1.00 0.00 H new ATOM 0 HA ASP A 69 -8.153 44.800 -18.754 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -9.223 43.995 -16.622 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -7.786 43.055 -16.272 1.00 0.00 H new ATOM 1051 N LEU A 70 -5.766 45.045 -18.900 1.00 0.00 N ATOM 1052 CA LEU A 70 -4.334 45.312 -19.097 1.00 0.00 C ATOM 1053 C LEU A 70 -3.892 46.557 -18.296 1.00 0.00 C ATOM 1054 O LEU A 70 -4.682 47.498 -18.163 1.00 0.00 O ATOM 1055 CB LEU A 70 -4.031 45.484 -20.601 1.00 0.00 C ATOM 1056 CG LEU A 70 -4.229 44.224 -21.466 1.00 0.00 C ATOM 1057 CD1 LEU A 70 -4.137 44.600 -22.946 1.00 0.00 C ATOM 1058 CD2 LEU A 70 -3.171 43.157 -21.176 1.00 0.00 C ATOM 0 H LEU A 70 -6.339 45.876 -19.047 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.765 44.460 -18.725 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -4.668 46.277 -20.994 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -3.000 45.820 -20.710 1.00 0.00 H new ATOM 0 HG LEU A 70 -5.210 43.816 -21.224 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -4.277 43.708 -23.557 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -4.911 45.329 -23.185 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.157 45.031 -23.152 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -3.349 42.287 -21.808 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -2.180 43.561 -21.385 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -3.229 42.862 -20.128 1.00 0.00 H new ATOM 1070 N PRO A 71 -2.634 46.628 -17.811 1.00 0.00 N ATOM 1071 CA PRO A 71 -2.106 47.749 -17.022 1.00 0.00 C ATOM 1072 C PRO A 71 -1.694 48.953 -17.901 1.00 0.00 C ATOM 1073 O PRO A 71 -0.642 49.557 -17.689 1.00 0.00 O ATOM 1074 CB PRO A 71 -0.945 47.132 -16.228 1.00 0.00 C ATOM 1075 CG PRO A 71 -0.367 46.133 -17.229 1.00 0.00 C ATOM 1076 CD PRO A 71 -1.619 45.582 -17.913 1.00 0.00 C ATOM 0 HA PRO A 71 -2.853 48.185 -16.359 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -0.211 47.881 -15.930 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -1.289 46.643 -15.317 1.00 0.00 H new ATOM 0 HG2 PRO A 71 0.305 46.614 -17.940 1.00 0.00 H new ATOM 0 HG3 PRO A 71 0.203 45.347 -16.734 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -1.417 45.336 -18.956 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -1.955 44.665 -17.429 1.00 0.00 H new ATOM 1084 N GLU A 72 -2.496 49.270 -18.926 1.00 0.00 N ATOM 1085 CA GLU A 72 -2.237 50.232 -20.010 1.00 0.00 C ATOM 1086 C GLU A 72 -0.758 50.226 -20.478 1.00 0.00 C ATOM 1087 O GLU A 72 -0.090 51.256 -20.364 1.00 0.00 O ATOM 1088 CB GLU A 72 -2.680 51.618 -19.522 1.00 0.00 C ATOM 1089 CG GLU A 72 -4.177 51.771 -19.223 1.00 0.00 C ATOM 1090 CD GLU A 72 -4.494 53.212 -18.768 1.00 0.00 C ATOM 1091 OE1 GLU A 72 -3.707 53.799 -17.982 1.00 0.00 O ATOM 1092 OE2 GLU A 72 -5.539 53.768 -19.190 1.00 0.00 O ATOM 0 H GLU A 72 -3.410 48.830 -19.028 1.00 0.00 H new ATOM 0 HA GLU A 72 -2.810 49.944 -20.892 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -2.121 51.860 -18.618 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -2.402 52.354 -20.276 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -4.758 51.528 -20.113 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -4.473 51.065 -18.447 1.00 0.00 H new ATOM 1099 N PRO A 73 -0.223 49.086 -20.971 1.00 0.00 N ATOM 1100 CA PRO A 73 1.199 48.720 -20.925 1.00 0.00 C ATOM 1101 C PRO A 73 2.221 49.863 -21.053 1.00 0.00 C ATOM 1102 O PRO A 73 2.467 50.424 -22.126 1.00 0.00 O ATOM 1103 CB PRO A 73 1.355 47.628 -21.979 1.00 0.00 C ATOM 1104 CG PRO A 73 0.058 46.849 -21.765 1.00 0.00 C ATOM 1105 CD PRO A 73 -0.976 47.935 -21.456 1.00 0.00 C ATOM 0 HA PRO A 73 1.450 48.376 -19.922 1.00 0.00 H new ATOM 0 HB2 PRO A 73 1.434 48.033 -22.988 1.00 0.00 H new ATOM 0 HB3 PRO A 73 2.240 47.014 -21.812 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -0.216 46.277 -22.652 1.00 0.00 H new ATOM 0 HG3 PRO A 73 0.149 46.139 -20.943 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.549 48.192 -22.347 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -1.689 47.592 -20.706 1.00 0.00 H new ATOM 1113 N LYS A 74 2.798 50.185 -19.891 1.00 0.00 N ATOM 1114 CA LYS A 74 3.645 51.352 -19.572 1.00 0.00 C ATOM 1115 C LYS A 74 4.612 51.034 -18.418 1.00 0.00 C ATOM 1116 O LYS A 74 4.502 49.975 -17.791 1.00 0.00 O ATOM 1117 CB LYS A 74 2.732 52.556 -19.231 1.00 0.00 C ATOM 1118 CG LYS A 74 1.839 52.341 -17.990 1.00 0.00 C ATOM 1119 CD LYS A 74 0.738 53.406 -17.864 1.00 0.00 C ATOM 1120 CE LYS A 74 -0.169 53.069 -16.672 1.00 0.00 C ATOM 1121 NZ LYS A 74 -1.306 54.019 -16.539 1.00 0.00 N ATOM 0 H LYS A 74 2.677 49.587 -19.074 1.00 0.00 H new ATOM 0 HA LYS A 74 4.258 51.604 -20.437 1.00 0.00 H new ATOM 0 HB2 LYS A 74 3.355 53.436 -19.069 1.00 0.00 H new ATOM 0 HB3 LYS A 74 2.096 52.770 -20.090 1.00 0.00 H new ATOM 0 HG2 LYS A 74 1.380 51.354 -18.043 1.00 0.00 H new ATOM 0 HG3 LYS A 74 2.459 52.356 -17.094 1.00 0.00 H new ATOM 0 HD2 LYS A 74 1.184 54.391 -17.727 1.00 0.00 H new ATOM 0 HD3 LYS A 74 0.150 53.447 -18.781 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -0.556 52.057 -16.788 1.00 0.00 H new ATOM 0 HE3 LYS A 74 0.421 53.081 -15.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -1.650 54.013 -15.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -0.989 54.977 -16.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -2.075 53.732 -17.177 1.00 0.00 H new ATOM 1135 N LYS A 75 5.535 51.952 -18.102 1.00 0.00 N ATOM 1136 CA LYS A 75 6.432 51.845 -16.932 1.00 0.00 C ATOM 1137 C LYS A 75 5.611 51.786 -15.633 1.00 0.00 C ATOM 1138 O LYS A 75 4.690 52.581 -15.439 1.00 0.00 O ATOM 1139 CB LYS A 75 7.462 52.996 -16.959 1.00 0.00 C ATOM 1140 CG LYS A 75 8.606 52.842 -15.938 1.00 0.00 C ATOM 1141 CD LYS A 75 8.304 53.465 -14.565 1.00 0.00 C ATOM 1142 CE LYS A 75 9.355 53.021 -13.538 1.00 0.00 C ATOM 1143 NZ LYS A 75 8.930 53.349 -12.153 1.00 0.00 N ATOM 0 H LYS A 75 5.685 52.798 -18.652 1.00 0.00 H new ATOM 0 HA LYS A 75 6.998 50.914 -16.975 1.00 0.00 H new ATOM 0 HB2 LYS A 75 7.889 53.063 -17.960 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.945 53.936 -16.769 1.00 0.00 H new ATOM 0 HG2 LYS A 75 8.821 51.782 -15.805 1.00 0.00 H new ATOM 0 HG3 LYS A 75 9.507 53.302 -16.344 1.00 0.00 H new ATOM 0 HD2 LYS A 75 8.299 54.552 -14.644 1.00 0.00 H new ATOM 0 HD3 LYS A 75 7.310 53.165 -14.232 1.00 0.00 H new ATOM 0 HE2 LYS A 75 9.520 51.947 -13.625 1.00 0.00 H new ATOM 0 HE3 LYS A 75 10.306 53.508 -13.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 9.628 52.977 -11.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 8.862 54.381 -12.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 8.002 52.919 -11.964 1.00 0.00 H new ATOM 1157 N VAL A 76 5.940 50.845 -14.744 1.00 0.00 N ATOM 1158 CA VAL A 76 5.137 50.534 -13.544 1.00 0.00 C ATOM 1159 C VAL A 76 5.307 51.594 -12.448 1.00 0.00 C ATOM 1160 O VAL A 76 6.428 51.920 -12.045 1.00 0.00 O ATOM 1161 CB VAL A 76 5.450 49.117 -13.012 1.00 0.00 C ATOM 1162 CG1 VAL A 76 4.582 48.749 -11.800 1.00 0.00 C ATOM 1163 CG2 VAL A 76 5.200 48.050 -14.089 1.00 0.00 C ATOM 0 H VAL A 76 6.777 50.269 -14.832 1.00 0.00 H new ATOM 0 HA VAL A 76 4.090 50.553 -13.845 1.00 0.00 H new ATOM 0 HB VAL A 76 6.501 49.137 -12.723 1.00 0.00 H new ATOM 0 HG11 VAL A 76 4.837 47.745 -11.461 1.00 0.00 H new ATOM 0 HG12 VAL A 76 4.762 49.461 -10.994 1.00 0.00 H new ATOM 0 HG13 VAL A 76 3.530 48.780 -12.083 1.00 0.00 H new ATOM 0 HG21 VAL A 76 5.429 47.064 -13.685 1.00 0.00 H new ATOM 0 HG22 VAL A 76 4.155 48.082 -14.397 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.838 48.246 -14.950 1.00 0.00 H new ATOM 1173 N LYS A 77 4.180 52.101 -11.934 1.00 0.00 N ATOM 1174 CA LYS A 77 4.081 52.996 -10.768 1.00 0.00 C ATOM 1175 C LYS A 77 2.805 52.644 -9.973 1.00 0.00 C ATOM 1176 O LYS A 77 1.713 53.016 -10.413 1.00 0.00 O ATOM 1177 CB LYS A 77 4.091 54.460 -11.257 1.00 0.00 C ATOM 1178 CG LYS A 77 4.121 55.459 -10.085 1.00 0.00 C ATOM 1179 CD LYS A 77 4.039 56.926 -10.536 1.00 0.00 C ATOM 1180 CE LYS A 77 5.260 57.361 -11.358 1.00 0.00 C ATOM 1181 NZ LYS A 77 5.187 58.801 -11.721 1.00 0.00 N ATOM 0 H LYS A 77 3.267 51.890 -12.337 1.00 0.00 H new ATOM 0 HA LYS A 77 4.931 52.868 -10.098 1.00 0.00 H new ATOM 0 HB2 LYS A 77 4.960 54.623 -11.895 1.00 0.00 H new ATOM 0 HB3 LYS A 77 3.207 54.644 -11.868 1.00 0.00 H new ATOM 0 HG2 LYS A 77 3.290 55.245 -9.413 1.00 0.00 H new ATOM 0 HG3 LYS A 77 5.038 55.312 -9.514 1.00 0.00 H new ATOM 0 HD2 LYS A 77 3.136 57.070 -11.130 1.00 0.00 H new ATOM 0 HD3 LYS A 77 3.949 57.567 -9.659 1.00 0.00 H new ATOM 0 HE2 LYS A 77 6.170 57.174 -10.787 1.00 0.00 H new ATOM 0 HE3 LYS A 77 5.323 56.759 -12.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 6.027 59.062 -12.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 4.331 58.974 -12.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 5.152 59.376 -10.855 1.00 0.00 H new ATOM 1195 N PRO A 78 2.899 51.897 -8.853 1.00 0.00 N ATOM 1196 CA PRO A 78 1.727 51.429 -8.103 1.00 0.00 C ATOM 1197 C PRO A 78 0.884 52.566 -7.478 1.00 0.00 C ATOM 1198 O PRO A 78 1.443 53.617 -7.141 1.00 0.00 O ATOM 1199 CB PRO A 78 2.273 50.483 -7.024 1.00 0.00 C ATOM 1200 CG PRO A 78 3.594 49.997 -7.613 1.00 0.00 C ATOM 1201 CD PRO A 78 4.097 51.235 -8.351 1.00 0.00 C ATOM 0 HA PRO A 78 1.034 50.931 -8.781 1.00 0.00 H new ATOM 0 HB2 PRO A 78 2.422 50.999 -6.076 1.00 0.00 H new ATOM 0 HB3 PRO A 78 1.590 49.655 -6.833 1.00 0.00 H new ATOM 0 HG2 PRO A 78 4.290 49.674 -6.839 1.00 0.00 H new ATOM 0 HG3 PRO A 78 3.452 49.152 -8.287 1.00 0.00 H new ATOM 0 HD2 PRO A 78 4.658 51.890 -7.684 1.00 0.00 H new ATOM 0 HD3 PRO A 78 4.766 50.962 -9.167 1.00 0.00 H new ATOM 1209 N PRO A 79 -0.433 52.363 -7.258 1.00 0.00 N ATOM 1210 CA PRO A 79 -1.228 51.194 -7.657 1.00 0.00 C ATOM 1211 C PRO A 79 -1.531 51.163 -9.170 1.00 0.00 C ATOM 1212 O PRO A 79 -1.493 52.195 -9.849 1.00 0.00 O ATOM 1213 CB PRO A 79 -2.513 51.294 -6.829 1.00 0.00 C ATOM 1214 CG PRO A 79 -2.712 52.801 -6.682 1.00 0.00 C ATOM 1215 CD PRO A 79 -1.280 53.322 -6.558 1.00 0.00 C ATOM 0 HA PRO A 79 -0.684 50.268 -7.472 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -3.356 50.823 -7.334 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -2.408 50.805 -5.861 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -3.224 53.227 -7.545 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -3.309 53.046 -5.804 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -1.188 54.315 -6.998 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -0.987 53.408 -5.512 1.00 0.00 H new ATOM 1223 N ARG A 80 -1.836 49.968 -9.697 1.00 0.00 N ATOM 1224 CA ARG A 80 -2.160 49.737 -11.122 1.00 0.00 C ATOM 1225 C ARG A 80 -3.492 50.370 -11.561 1.00 0.00 C ATOM 1226 O ARG A 80 -3.575 50.807 -12.731 1.00 0.00 O ATOM 1227 CB ARG A 80 -2.074 48.234 -11.459 1.00 0.00 C ATOM 1228 CG ARG A 80 -3.205 47.381 -10.852 1.00 0.00 C ATOM 1229 CD ARG A 80 -3.009 45.874 -11.085 1.00 0.00 C ATOM 1230 NE ARG A 80 -2.958 45.499 -12.513 1.00 0.00 N ATOM 1231 CZ ARG A 80 -3.974 45.385 -13.348 1.00 0.00 C ATOM 1232 NH1 ARG A 80 -5.202 45.653 -13.031 1.00 0.00 N ATOM 1233 NH2 ARG A 80 -3.802 44.980 -14.568 1.00 0.00 N ATOM 1234 OXT ARG A 80 -4.445 50.423 -10.749 1.00 0.00 O ATOM 0 H ARG A 80 -1.866 49.115 -9.138 1.00 0.00 H new ATOM 0 HA ARG A 80 -1.404 50.257 -11.710 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -2.087 48.115 -12.542 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -1.116 47.849 -11.108 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -3.263 47.573 -9.781 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -4.157 47.689 -11.283 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -2.085 45.557 -10.601 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -3.823 45.331 -10.604 1.00 0.00 H new ATOM 0 HE ARG A 80 -2.033 45.306 -12.897 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -5.427 45.973 -12.089 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -5.943 45.544 -13.724 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -2.867 44.742 -14.899 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -4.602 44.899 -15.196 1.00 0.00 H new TER 1248 ARG A 80