USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=13 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= 0.996 K(o=0.99,f=-0.0021) USER MOD Set 1.2: A 59 ASN : amide:sc=-0.00889 X(o=0.99,f=0.98) USER MOD Single : A 1 SER N :NH3+ 141:sc= 0.049 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0103 USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0.0121 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 -110:sc= 0.134 USER MOD Single : A 22 ASN : amide:sc= 1.04 K(o=1,f=0) USER MOD Single : A 23 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 29 GLN : amide:sc= 0.516 K(o=0.52,f=0) USER MOD Single : A 33 TYR OH : rot -166:sc= 0.45 USER MOD Single : A 35 THR OG1 : rot -67:sc= 0.261 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot 180:sc= -1.66 USER MOD Single : A 61 MET CE :methyl 176:sc= 0 (180deg=-0.0419) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ -167:sc= 1.12 (180deg=0.995) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 0.600 45.126 -36.012 1.00 0.00 N ATOM 2 CA SER A 1 -0.050 43.872 -35.562 1.00 0.00 C ATOM 3 C SER A 1 -0.725 43.140 -36.721 1.00 0.00 C ATOM 4 O SER A 1 -1.125 43.767 -37.706 1.00 0.00 O ATOM 5 CB SER A 1 -1.068 44.146 -34.450 1.00 0.00 C ATOM 6 OG SER A 1 -0.427 44.831 -33.385 1.00 0.00 O ATOM 0 H1 SER A 1 0.459 45.866 -35.295 1.00 0.00 H new ATOM 0 H2 SER A 1 1.618 44.961 -36.144 1.00 0.00 H new ATOM 0 H3 SER A 1 0.179 45.431 -36.913 1.00 0.00 H new ATOM 0 HA SER A 1 0.736 43.229 -35.166 1.00 0.00 H new ATOM 0 HB2 SER A 1 -1.894 44.743 -34.837 1.00 0.00 H new ATOM 0 HB3 SER A 1 -1.493 43.209 -34.091 1.00 0.00 H new ATOM 0 HG SER A 1 -1.076 45.009 -32.673 1.00 0.00 H new ATOM 14 N MET A 2 -0.872 41.814 -36.616 1.00 0.00 N ATOM 15 CA MET A 2 -1.582 40.984 -37.606 1.00 0.00 C ATOM 16 C MET A 2 -3.115 41.140 -37.522 1.00 0.00 C ATOM 17 O MET A 2 -3.660 41.553 -36.493 1.00 0.00 O ATOM 18 CB MET A 2 -1.182 39.506 -37.446 1.00 0.00 C ATOM 19 CG MET A 2 0.282 39.245 -37.824 1.00 0.00 C ATOM 20 SD MET A 2 0.768 37.495 -37.804 1.00 0.00 S ATOM 21 CE MET A 2 0.916 37.206 -36.018 1.00 0.00 C ATOM 0 H MET A 2 -0.498 41.277 -35.833 1.00 0.00 H new ATOM 0 HA MET A 2 -1.282 41.336 -38.593 1.00 0.00 H new ATOM 0 HB2 MET A 2 -1.347 39.199 -36.413 1.00 0.00 H new ATOM 0 HB3 MET A 2 -1.829 38.889 -38.069 1.00 0.00 H new ATOM 0 HG2 MET A 2 0.463 39.647 -38.821 1.00 0.00 H new ATOM 0 HG3 MET A 2 0.925 39.795 -37.136 1.00 0.00 H new ATOM 0 HE1 MET A 2 1.210 36.172 -35.840 1.00 0.00 H new ATOM 0 HE2 MET A 2 1.671 37.874 -35.603 1.00 0.00 H new ATOM 0 HE3 MET A 2 -0.043 37.399 -35.538 1.00 0.00 H new ATOM 31 N ALA A 3 -3.805 40.774 -38.604 1.00 0.00 N ATOM 32 CA ALA A 3 -5.267 40.714 -38.721 1.00 0.00 C ATOM 33 C ALA A 3 -5.722 39.377 -39.348 1.00 0.00 C ATOM 34 O ALA A 3 -4.909 38.656 -39.936 1.00 0.00 O ATOM 35 CB ALA A 3 -5.741 41.928 -39.535 1.00 0.00 C ATOM 0 H ALA A 3 -3.337 40.497 -39.467 1.00 0.00 H new ATOM 0 HA ALA A 3 -5.722 40.754 -37.731 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -6.826 41.900 -39.632 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -5.446 42.845 -39.025 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -5.287 41.901 -40.526 1.00 0.00 H new ATOM 41 N ASP A 4 -7.017 39.050 -39.235 1.00 0.00 N ATOM 42 CA ASP A 4 -7.578 37.718 -39.551 1.00 0.00 C ATOM 43 C ASP A 4 -6.930 36.587 -38.703 1.00 0.00 C ATOM 44 O ASP A 4 -6.231 36.866 -37.721 1.00 0.00 O ATOM 45 CB ASP A 4 -7.548 37.494 -41.079 1.00 0.00 C ATOM 46 CG ASP A 4 -8.690 36.587 -41.557 1.00 0.00 C ATOM 47 OD1 ASP A 4 -8.535 35.346 -41.490 1.00 0.00 O ATOM 48 OD2 ASP A 4 -9.747 37.113 -41.977 1.00 0.00 O ATOM 0 H ASP A 4 -7.722 39.714 -38.915 1.00 0.00 H new ATOM 0 HA ASP A 4 -8.626 37.682 -39.255 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -7.615 38.456 -41.586 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -6.593 37.051 -41.360 1.00 0.00 H new ATOM 53 N ARG A 5 -7.184 35.305 -39.016 1.00 0.00 N ATOM 54 CA ARG A 5 -6.523 34.168 -38.345 1.00 0.00 C ATOM 55 C ARG A 5 -5.004 34.211 -38.573 1.00 0.00 C ATOM 56 O ARG A 5 -4.555 34.525 -39.680 1.00 0.00 O ATOM 57 CB ARG A 5 -7.161 32.829 -38.763 1.00 0.00 C ATOM 58 CG ARG A 5 -6.764 32.371 -40.175 1.00 0.00 C ATOM 59 CD ARG A 5 -7.568 31.153 -40.634 1.00 0.00 C ATOM 60 NE ARG A 5 -7.053 30.669 -41.928 1.00 0.00 N ATOM 61 CZ ARG A 5 -7.746 30.202 -42.948 1.00 0.00 C ATOM 62 NH1 ARG A 5 -9.030 30.020 -42.913 1.00 0.00 N ATOM 63 NH2 ARG A 5 -7.156 29.884 -44.063 1.00 0.00 N ATOM 0 H ARG A 5 -7.849 35.027 -39.737 1.00 0.00 H new ATOM 0 HA ARG A 5 -6.679 34.255 -37.270 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -6.873 32.060 -38.046 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -8.246 32.922 -38.712 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -6.916 33.191 -40.877 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -5.701 32.130 -40.192 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -7.503 30.361 -39.888 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -8.622 31.416 -40.728 1.00 0.00 H new ATOM 0 HE ARG A 5 -6.041 30.699 -42.048 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -9.554 30.241 -42.066 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -9.516 29.656 -43.732 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -6.146 29.995 -44.155 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -7.703 29.524 -44.845 1.00 0.00 H new ATOM 77 N VAL A 6 -4.201 33.911 -37.549 1.00 0.00 N ATOM 78 CA VAL A 6 -2.747 34.165 -37.586 1.00 0.00 C ATOM 79 C VAL A 6 -1.927 32.938 -37.994 1.00 0.00 C ATOM 80 O VAL A 6 -1.967 31.892 -37.344 1.00 0.00 O ATOM 81 CB VAL A 6 -2.218 34.842 -36.304 1.00 0.00 C ATOM 82 CG1 VAL A 6 -2.787 36.260 -36.182 1.00 0.00 C ATOM 83 CG2 VAL A 6 -2.531 34.097 -35.004 1.00 0.00 C ATOM 0 H VAL A 6 -4.528 33.491 -36.679 1.00 0.00 H new ATOM 0 HA VAL A 6 -2.602 34.891 -38.386 1.00 0.00 H new ATOM 0 HB VAL A 6 -1.134 34.842 -36.420 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -2.407 36.728 -35.274 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -2.484 36.849 -37.048 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -3.875 36.213 -36.138 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -2.119 34.650 -34.160 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -3.611 34.007 -34.887 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -2.086 33.103 -35.038 1.00 0.00 H new ATOM 93 N LEU A 7 -1.147 33.104 -39.069 1.00 0.00 N ATOM 94 CA LEU A 7 -0.111 32.187 -39.582 1.00 0.00 C ATOM 95 C LEU A 7 -0.580 30.748 -39.910 1.00 0.00 C ATOM 96 O LEU A 7 0.244 29.828 -39.965 1.00 0.00 O ATOM 97 CB LEU A 7 1.125 32.231 -38.651 1.00 0.00 C ATOM 98 CG LEU A 7 1.699 33.632 -38.353 1.00 0.00 C ATOM 99 CD1 LEU A 7 2.881 33.514 -37.390 1.00 0.00 C ATOM 100 CD2 LEU A 7 2.181 34.349 -39.616 1.00 0.00 C ATOM 0 H LEU A 7 -1.225 33.941 -39.647 1.00 0.00 H new ATOM 0 HA LEU A 7 0.165 32.561 -40.568 1.00 0.00 H new ATOM 0 HB2 LEU A 7 0.859 31.761 -37.704 1.00 0.00 H new ATOM 0 HB3 LEU A 7 1.913 31.625 -39.098 1.00 0.00 H new ATOM 0 HG LEU A 7 0.890 34.216 -37.914 1.00 0.00 H new ATOM 0 HD11 LEU A 7 3.282 34.506 -37.183 1.00 0.00 H new ATOM 0 HD12 LEU A 7 2.547 33.056 -36.459 1.00 0.00 H new ATOM 0 HD13 LEU A 7 3.657 32.895 -37.841 1.00 0.00 H new ATOM 0 HD21 LEU A 7 2.575 35.330 -39.350 1.00 0.00 H new ATOM 0 HD22 LEU A 7 2.965 33.760 -40.092 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.347 34.469 -40.307 1.00 0.00 H new ATOM 112 N ARG A 8 -1.890 30.529 -40.108 1.00 0.00 N ATOM 113 CA ARG A 8 -2.528 29.196 -40.187 1.00 0.00 C ATOM 114 C ARG A 8 -3.606 29.098 -41.274 1.00 0.00 C ATOM 115 O ARG A 8 -4.234 30.091 -41.647 1.00 0.00 O ATOM 116 CB ARG A 8 -3.131 28.846 -38.811 1.00 0.00 C ATOM 117 CG ARG A 8 -2.060 28.538 -37.752 1.00 0.00 C ATOM 118 CD ARG A 8 -2.698 28.461 -36.363 1.00 0.00 C ATOM 119 NE ARG A 8 -1.691 28.254 -35.304 1.00 0.00 N ATOM 120 CZ ARG A 8 -0.903 29.165 -34.756 1.00 0.00 C ATOM 121 NH1 ARG A 8 -0.878 30.409 -35.148 1.00 0.00 N ATOM 122 NH2 ARG A 8 -0.105 28.834 -33.783 1.00 0.00 N ATOM 0 H ARG A 8 -2.557 31.293 -40.221 1.00 0.00 H new ATOM 0 HA ARG A 8 -1.752 28.482 -40.464 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -3.747 29.677 -38.467 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -3.789 27.984 -38.917 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -1.567 27.595 -37.987 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -1.292 29.311 -37.765 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -3.249 29.381 -36.165 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -3.421 27.646 -36.341 1.00 0.00 H new ATOM 0 HE ARG A 8 -1.591 27.301 -34.955 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -1.484 30.716 -35.909 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -0.253 31.074 -34.694 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -0.087 27.873 -33.443 1.00 0.00 H new ATOM 0 HH22 ARG A 8 0.503 29.536 -33.360 1.00 0.00 H new ATOM 136 N GLY A 9 -3.852 27.871 -41.731 1.00 0.00 N ATOM 137 CA GLY A 9 -4.924 27.519 -42.678 1.00 0.00 C ATOM 138 C GLY A 9 -5.269 26.023 -42.746 1.00 0.00 C ATOM 139 O GLY A 9 -5.990 25.603 -43.652 1.00 0.00 O ATOM 0 H GLY A 9 -3.296 27.064 -41.447 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -5.823 28.071 -42.406 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -4.633 27.854 -43.673 1.00 0.00 H new ATOM 143 N SER A 10 -4.760 25.208 -41.819 1.00 0.00 N ATOM 144 CA SER A 10 -4.978 23.757 -41.760 1.00 0.00 C ATOM 145 C SER A 10 -6.325 23.373 -41.123 1.00 0.00 C ATOM 146 O SER A 10 -6.966 24.170 -40.428 1.00 0.00 O ATOM 147 CB SER A 10 -3.798 23.085 -41.044 1.00 0.00 C ATOM 148 OG SER A 10 -3.546 23.699 -39.790 1.00 0.00 O ATOM 0 H SER A 10 -4.165 25.549 -41.064 1.00 0.00 H new ATOM 0 HA SER A 10 -5.029 23.390 -42.785 1.00 0.00 H new ATOM 0 HB2 SER A 10 -4.012 22.026 -40.898 1.00 0.00 H new ATOM 0 HB3 SER A 10 -2.907 23.147 -41.668 1.00 0.00 H new ATOM 0 HG SER A 10 -2.791 23.252 -39.353 1.00 0.00 H new ATOM 154 N ARG A 11 -6.771 22.137 -41.396 1.00 0.00 N ATOM 155 CA ARG A 11 -8.036 21.530 -40.933 1.00 0.00 C ATOM 156 C ARG A 11 -9.331 22.337 -41.174 1.00 0.00 C ATOM 157 O ARG A 11 -10.181 22.427 -40.288 1.00 0.00 O ATOM 158 CB ARG A 11 -7.867 21.063 -39.472 1.00 0.00 C ATOM 159 CG ARG A 11 -8.664 19.780 -39.176 1.00 0.00 C ATOM 160 CD ARG A 11 -8.657 19.430 -37.682 1.00 0.00 C ATOM 161 NE ARG A 11 -9.545 20.316 -36.903 1.00 0.00 N ATOM 162 CZ ARG A 11 -10.850 20.197 -36.739 1.00 0.00 C ATOM 163 NH1 ARG A 11 -11.545 19.223 -37.255 1.00 0.00 N ATOM 164 NH2 ARG A 11 -11.482 21.087 -36.035 1.00 0.00 N ATOM 0 H ARG A 11 -6.231 21.496 -41.978 1.00 0.00 H new ATOM 0 HA ARG A 11 -8.209 20.672 -41.583 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -6.811 20.888 -39.268 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -8.194 21.855 -38.799 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -9.693 19.906 -39.514 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -8.241 18.952 -39.744 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -8.972 18.395 -37.551 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -7.640 19.506 -37.297 1.00 0.00 H new ATOM 0 HE ARG A 11 -9.101 21.109 -36.440 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -11.082 18.507 -37.815 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -12.552 19.176 -37.099 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -10.970 21.864 -35.618 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -12.490 21.008 -35.900 1.00 0.00 H new ATOM 178 N LEU A 12 -9.601 22.910 -42.346 1.00 0.00 N ATOM 179 CA LEU A 12 -8.800 23.106 -43.565 1.00 0.00 C ATOM 180 C LEU A 12 -9.419 24.228 -44.422 1.00 0.00 C ATOM 181 O LEU A 12 -10.601 24.169 -44.766 1.00 0.00 O ATOM 182 CB LEU A 12 -8.740 21.786 -44.367 1.00 0.00 C ATOM 183 CG LEU A 12 -7.916 21.850 -45.669 1.00 0.00 C ATOM 184 CD1 LEU A 12 -6.442 22.171 -45.410 1.00 0.00 C ATOM 185 CD2 LEU A 12 -7.987 20.502 -46.388 1.00 0.00 C ATOM 0 H LEU A 12 -10.529 23.310 -42.486 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.786 23.396 -43.289 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -8.321 21.009 -43.728 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -9.757 21.482 -44.613 1.00 0.00 H new ATOM 0 HG LEU A 12 -8.344 22.648 -46.277 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -5.905 22.205 -46.358 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -6.362 23.138 -44.913 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -6.008 21.399 -44.774 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -7.404 20.549 -47.308 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -7.583 19.723 -45.742 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -9.025 20.272 -46.628 1.00 0.00 H new ATOM 197 N GLY A 13 -8.616 25.230 -44.796 1.00 0.00 N ATOM 198 CA GLY A 13 -8.947 26.297 -45.752 1.00 0.00 C ATOM 199 C GLY A 13 -9.919 27.375 -45.247 1.00 0.00 C ATOM 200 O GLY A 13 -9.588 28.563 -45.264 1.00 0.00 O ATOM 0 H GLY A 13 -7.671 25.325 -44.423 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -8.021 26.785 -46.057 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -9.375 25.839 -46.644 1.00 0.00 H new ATOM 204 N ALA A 14 -11.108 26.976 -44.793 1.00 0.00 N ATOM 205 CA ALA A 14 -12.229 27.858 -44.452 1.00 0.00 C ATOM 206 C ALA A 14 -12.206 28.396 -43.002 1.00 0.00 C ATOM 207 O ALA A 14 -11.490 27.884 -42.139 1.00 0.00 O ATOM 208 CB ALA A 14 -13.525 27.092 -44.758 1.00 0.00 C ATOM 0 H ALA A 14 -11.327 25.991 -44.646 1.00 0.00 H new ATOM 0 HA ALA A 14 -12.152 28.760 -45.059 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -14.384 27.718 -44.516 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -13.552 26.831 -45.816 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -13.560 26.182 -44.159 1.00 0.00 H new ATOM 214 N VAL A 15 -13.059 29.402 -42.749 1.00 0.00 N ATOM 215 CA VAL A 15 -13.328 30.094 -41.466 1.00 0.00 C ATOM 216 C VAL A 15 -12.157 30.908 -40.898 1.00 0.00 C ATOM 217 O VAL A 15 -10.990 30.516 -40.954 1.00 0.00 O ATOM 218 CB VAL A 15 -13.951 29.155 -40.402 1.00 0.00 C ATOM 219 CG1 VAL A 15 -14.583 29.949 -39.249 1.00 0.00 C ATOM 220 CG2 VAL A 15 -15.056 28.252 -40.971 1.00 0.00 C ATOM 0 H VAL A 15 -13.631 29.790 -43.499 1.00 0.00 H new ATOM 0 HA VAL A 15 -14.076 30.842 -41.729 1.00 0.00 H new ATOM 0 HB VAL A 15 -13.119 28.544 -40.052 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -15.010 29.258 -38.522 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -13.819 30.558 -38.765 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -15.369 30.595 -39.640 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -15.452 27.618 -40.178 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -15.857 28.869 -41.377 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -14.643 27.627 -41.763 1.00 0.00 H new ATOM 230 N SER A 16 -12.488 32.064 -40.322 1.00 0.00 N ATOM 231 CA SER A 16 -11.570 33.004 -39.674 1.00 0.00 C ATOM 232 C SER A 16 -12.031 33.335 -38.246 1.00 0.00 C ATOM 233 O SER A 16 -13.216 33.572 -37.995 1.00 0.00 O ATOM 234 CB SER A 16 -11.426 34.266 -40.532 1.00 0.00 C ATOM 235 OG SER A 16 -12.684 34.854 -40.840 1.00 0.00 O ATOM 0 H SER A 16 -13.455 32.388 -40.293 1.00 0.00 H new ATOM 0 HA SER A 16 -10.589 32.536 -39.588 1.00 0.00 H new ATOM 0 HB2 SER A 16 -10.807 34.992 -40.005 1.00 0.00 H new ATOM 0 HB3 SER A 16 -10.907 34.016 -41.458 1.00 0.00 H new ATOM 0 HG SER A 16 -12.545 35.656 -41.386 1.00 0.00 H new ATOM 241 N TYR A 17 -11.093 33.307 -37.295 1.00 0.00 N ATOM 242 CA TYR A 17 -11.330 33.521 -35.860 1.00 0.00 C ATOM 243 C TYR A 17 -10.038 33.951 -35.141 1.00 0.00 C ATOM 244 O TYR A 17 -8.953 33.962 -35.728 1.00 0.00 O ATOM 245 CB TYR A 17 -11.939 32.251 -35.226 1.00 0.00 C ATOM 246 CG TYR A 17 -11.059 31.011 -35.193 1.00 0.00 C ATOM 247 CD1 TYR A 17 -10.871 30.250 -36.364 1.00 0.00 C ATOM 248 CD2 TYR A 17 -10.496 30.574 -33.976 1.00 0.00 C ATOM 249 CE1 TYR A 17 -10.113 29.064 -36.329 1.00 0.00 C ATOM 250 CE2 TYR A 17 -9.741 29.383 -33.935 1.00 0.00 C ATOM 251 CZ TYR A 17 -9.542 28.629 -35.112 1.00 0.00 C ATOM 252 OH TYR A 17 -8.823 27.474 -35.066 1.00 0.00 O ATOM 0 H TYR A 17 -10.112 33.128 -37.508 1.00 0.00 H new ATOM 0 HA TYR A 17 -12.046 34.335 -35.743 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -12.230 32.488 -34.203 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -12.852 32.005 -35.768 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -11.311 30.578 -37.294 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -10.643 31.151 -33.075 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -9.968 28.488 -37.231 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -9.314 29.047 -33.001 1.00 0.00 H new ATOM 0 HH TYR A 17 -8.502 27.325 -34.152 1.00 0.00 H new ATOM 262 N GLU A 18 -10.141 34.291 -33.857 1.00 0.00 N ATOM 263 CA GLU A 18 -9.060 34.830 -33.013 1.00 0.00 C ATOM 264 C GLU A 18 -7.895 33.860 -32.691 1.00 0.00 C ATOM 265 O GLU A 18 -6.979 34.228 -31.953 1.00 0.00 O ATOM 266 CB GLU A 18 -9.662 35.454 -31.737 1.00 0.00 C ATOM 267 CG GLU A 18 -10.562 34.506 -30.924 1.00 0.00 C ATOM 268 CD GLU A 18 -12.056 34.768 -31.193 1.00 0.00 C ATOM 269 OE1 GLU A 18 -12.516 34.585 -32.344 1.00 0.00 O ATOM 270 OE2 GLU A 18 -12.759 35.192 -30.243 1.00 0.00 O ATOM 0 H GLU A 18 -11.019 34.196 -33.347 1.00 0.00 H new ATOM 0 HA GLU A 18 -8.574 35.597 -33.616 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -8.849 35.799 -31.098 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -10.242 36.333 -32.017 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -10.323 33.473 -31.175 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -10.356 34.631 -29.861 1.00 0.00 H new ATOM 277 N THR A 19 -7.886 32.653 -33.271 1.00 0.00 N ATOM 278 CA THR A 19 -6.764 31.688 -33.240 1.00 0.00 C ATOM 279 C THR A 19 -6.291 31.364 -31.810 1.00 0.00 C ATOM 280 O THR A 19 -5.151 31.630 -31.419 1.00 0.00 O ATOM 281 CB THR A 19 -5.610 32.146 -34.153 1.00 0.00 C ATOM 282 OG1 THR A 19 -6.083 32.633 -35.395 1.00 0.00 O ATOM 283 CG2 THR A 19 -4.653 31.010 -34.514 1.00 0.00 C ATOM 0 H THR A 19 -8.687 32.302 -33.796 1.00 0.00 H new ATOM 0 HA THR A 19 -7.143 30.748 -33.641 1.00 0.00 H new ATOM 0 HB THR A 19 -5.103 32.918 -33.575 1.00 0.00 H new ATOM 0 HG1 THR A 19 -5.840 32.004 -36.107 1.00 0.00 H new ATOM 0 HG21 THR A 19 -3.861 31.392 -35.158 1.00 0.00 H new ATOM 0 HG22 THR A 19 -4.214 30.601 -33.604 1.00 0.00 H new ATOM 0 HG23 THR A 19 -5.200 30.226 -35.038 1.00 0.00 H new ATOM 291 N ASP A 20 -7.195 30.809 -30.999 1.00 0.00 N ATOM 292 CA ASP A 20 -6.929 30.434 -29.603 1.00 0.00 C ATOM 293 C ASP A 20 -5.781 29.404 -29.445 1.00 0.00 C ATOM 294 O ASP A 20 -5.564 28.545 -30.303 1.00 0.00 O ATOM 295 CB ASP A 20 -8.235 29.933 -28.970 1.00 0.00 C ATOM 296 CG ASP A 20 -7.980 29.336 -27.585 1.00 0.00 C ATOM 297 OD1 ASP A 20 -7.724 30.097 -26.629 1.00 0.00 O ATOM 298 OD2 ASP A 20 -7.938 28.088 -27.487 1.00 0.00 O ATOM 0 H ASP A 20 -8.149 30.603 -31.296 1.00 0.00 H new ATOM 0 HA ASP A 20 -6.578 31.322 -29.077 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -8.944 30.757 -28.890 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -8.691 29.182 -29.615 1.00 0.00 H new ATOM 303 N ARG A 21 -5.056 29.488 -28.318 1.00 0.00 N ATOM 304 CA ARG A 21 -3.794 28.768 -28.057 1.00 0.00 C ATOM 305 C ARG A 21 -3.940 27.359 -27.454 1.00 0.00 C ATOM 306 O ARG A 21 -2.923 26.684 -27.276 1.00 0.00 O ATOM 307 CB ARG A 21 -2.864 29.655 -27.203 1.00 0.00 C ATOM 308 CG ARG A 21 -2.487 30.972 -27.908 1.00 0.00 C ATOM 309 CD ARG A 21 -1.438 31.773 -27.125 1.00 0.00 C ATOM 310 NE ARG A 21 -1.957 32.273 -25.834 1.00 0.00 N ATOM 311 CZ ARG A 21 -1.264 32.895 -24.895 1.00 0.00 C ATOM 312 NH1 ARG A 21 0.009 33.145 -25.021 1.00 0.00 N ATOM 313 NH2 ARG A 21 -1.846 33.284 -23.796 1.00 0.00 N ATOM 0 H ARG A 21 -5.340 30.078 -27.536 1.00 0.00 H new ATOM 0 HA ARG A 21 -3.352 28.580 -29.036 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -3.354 29.882 -26.256 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -1.956 29.101 -26.967 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -2.103 30.751 -28.904 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -3.382 31.580 -28.039 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -0.566 31.144 -26.944 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -1.103 32.616 -27.730 1.00 0.00 H new ATOM 0 HE ARG A 21 -2.949 32.123 -25.649 1.00 0.00 H new ATOM 0 HH11 ARG A 21 0.504 32.858 -25.866 1.00 0.00 H new ATOM 0 HH12 ARG A 21 0.510 33.627 -24.275 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -2.841 33.109 -23.656 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -1.306 33.763 -23.075 1.00 0.00 H new ATOM 327 N ASN A 22 -5.155 26.887 -27.146 1.00 0.00 N ATOM 328 CA ASN A 22 -5.375 25.494 -26.715 1.00 0.00 C ATOM 329 C ASN A 22 -5.062 24.488 -27.848 1.00 0.00 C ATOM 330 O ASN A 22 -5.002 24.850 -29.025 1.00 0.00 O ATOM 331 CB ASN A 22 -6.786 25.312 -26.122 1.00 0.00 C ATOM 332 CG ASN A 22 -6.967 26.057 -24.808 1.00 0.00 C ATOM 333 OD1 ASN A 22 -6.652 25.556 -23.737 1.00 0.00 O ATOM 334 ND2 ASN A 22 -7.458 27.274 -24.841 1.00 0.00 N ATOM 0 H ASN A 22 -6.005 27.449 -27.187 1.00 0.00 H new ATOM 0 HA ASN A 22 -4.669 25.273 -25.914 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -7.526 25.664 -26.840 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -6.976 24.250 -25.963 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -7.576 27.800 -23.975 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -7.721 27.694 -25.733 1.00 0.00 H new ATOM 341 N HIS A 23 -4.844 23.218 -27.487 1.00 0.00 N ATOM 342 CA HIS A 23 -4.069 22.225 -28.262 1.00 0.00 C ATOM 343 C HIS A 23 -4.752 21.616 -29.511 1.00 0.00 C ATOM 344 O HIS A 23 -4.362 20.540 -29.970 1.00 0.00 O ATOM 345 CB HIS A 23 -3.545 21.144 -27.298 1.00 0.00 C ATOM 346 CG HIS A 23 -2.772 21.701 -26.125 1.00 0.00 C ATOM 347 ND1 HIS A 23 -1.558 22.391 -26.205 1.00 0.00 N ATOM 348 CD2 HIS A 23 -3.158 21.644 -24.817 1.00 0.00 C ATOM 349 CE1 HIS A 23 -1.241 22.731 -24.944 1.00 0.00 C ATOM 350 NE2 HIS A 23 -2.184 22.295 -24.091 1.00 0.00 N ATOM 0 H HIS A 23 -5.213 22.834 -26.617 1.00 0.00 H new ATOM 0 HA HIS A 23 -3.248 22.782 -28.713 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -4.388 20.564 -26.924 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -2.905 20.456 -27.850 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -4.052 21.180 -24.427 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -0.355 23.277 -24.657 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -2.179 22.424 -23.079 1.00 0.00 H new ATOM 358 N ASP A 24 -5.753 22.287 -30.084 1.00 0.00 N ATOM 359 CA ASP A 24 -6.353 21.951 -31.385 1.00 0.00 C ATOM 360 C ASP A 24 -6.866 23.195 -32.129 1.00 0.00 C ATOM 361 O ASP A 24 -7.117 24.247 -31.531 1.00 0.00 O ATOM 362 CB ASP A 24 -7.486 20.918 -31.216 1.00 0.00 C ATOM 363 CG ASP A 24 -7.684 19.984 -32.428 1.00 0.00 C ATOM 364 OD1 ASP A 24 -7.111 20.234 -33.517 1.00 0.00 O ATOM 365 OD2 ASP A 24 -8.434 18.988 -32.291 1.00 0.00 O ATOM 0 H ASP A 24 -6.183 23.102 -29.647 1.00 0.00 H new ATOM 0 HA ASP A 24 -5.563 21.511 -31.994 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -7.279 20.311 -30.335 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -8.419 21.448 -31.025 1.00 0.00 H new ATOM 370 N LEU A 25 -7.064 23.059 -33.438 1.00 0.00 N ATOM 371 CA LEU A 25 -7.590 24.102 -34.324 1.00 0.00 C ATOM 372 C LEU A 25 -9.064 23.829 -34.643 1.00 0.00 C ATOM 373 O LEU A 25 -9.407 22.858 -35.323 1.00 0.00 O ATOM 374 CB LEU A 25 -6.712 24.228 -35.584 1.00 0.00 C ATOM 375 CG LEU A 25 -5.251 24.641 -35.306 1.00 0.00 C ATOM 376 CD1 LEU A 25 -4.487 24.733 -36.625 1.00 0.00 C ATOM 377 CD2 LEU A 25 -5.130 25.993 -34.594 1.00 0.00 C ATOM 0 H LEU A 25 -6.856 22.191 -33.931 1.00 0.00 H new ATOM 0 HA LEU A 25 -7.550 25.068 -33.820 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -6.713 23.273 -36.109 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -7.162 24.961 -36.254 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.835 23.877 -34.650 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.455 25.025 -36.428 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.501 23.763 -37.122 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.958 25.477 -37.267 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.078 26.224 -34.428 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.580 26.771 -35.211 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.647 25.947 -33.635 1.00 0.00 H new ATOM 389 N ALA A 26 -9.937 24.688 -34.120 1.00 0.00 N ATOM 390 CA ALA A 26 -11.389 24.659 -34.283 1.00 0.00 C ATOM 391 C ALA A 26 -11.948 26.071 -33.991 1.00 0.00 C ATOM 392 O ALA A 26 -11.611 26.606 -32.928 1.00 0.00 O ATOM 393 CB ALA A 26 -11.985 23.630 -33.308 1.00 0.00 C ATOM 0 H ALA A 26 -9.632 25.468 -33.538 1.00 0.00 H new ATOM 0 HA ALA A 26 -11.655 24.372 -35.300 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -13.068 23.603 -33.425 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -11.573 22.644 -33.523 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -11.737 23.912 -32.285 1.00 0.00 H new ATOM 399 N PRO A 27 -12.778 26.676 -34.869 1.00 0.00 N ATOM 400 CA PRO A 27 -13.294 28.040 -34.708 1.00 0.00 C ATOM 401 C PRO A 27 -14.055 28.275 -33.395 1.00 0.00 C ATOM 402 O PRO A 27 -15.192 27.823 -33.217 1.00 0.00 O ATOM 403 CB PRO A 27 -14.157 28.303 -35.949 1.00 0.00 C ATOM 404 CG PRO A 27 -13.502 27.428 -37.011 1.00 0.00 C ATOM 405 CD PRO A 27 -13.089 26.199 -36.209 1.00 0.00 C ATOM 0 HA PRO A 27 -12.468 28.748 -34.634 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -15.198 28.026 -35.783 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -14.148 29.356 -36.231 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -14.195 27.176 -37.814 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -12.645 27.920 -37.472 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -13.892 25.462 -36.184 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -12.224 25.712 -36.660 1.00 0.00 H new ATOM 413 N ARG A 28 -13.396 28.962 -32.454 1.00 0.00 N ATOM 414 CA ARG A 28 -13.895 29.245 -31.096 1.00 0.00 C ATOM 415 C ARG A 28 -13.563 30.645 -30.555 1.00 0.00 C ATOM 416 O ARG A 28 -12.678 31.330 -31.063 1.00 0.00 O ATOM 417 CB ARG A 28 -13.431 28.120 -30.157 1.00 0.00 C ATOM 418 CG ARG A 28 -11.915 28.129 -29.916 1.00 0.00 C ATOM 419 CD ARG A 28 -11.483 26.892 -29.124 1.00 0.00 C ATOM 420 NE ARG A 28 -10.015 26.821 -29.008 1.00 0.00 N ATOM 421 CZ ARG A 28 -9.178 26.190 -29.807 1.00 0.00 C ATOM 422 NH1 ARG A 28 -9.538 25.577 -30.894 1.00 0.00 N ATOM 423 NH2 ARG A 28 -7.917 26.175 -29.519 1.00 0.00 N ATOM 0 H ARG A 28 -12.468 29.351 -32.620 1.00 0.00 H new ATOM 0 HA ARG A 28 -14.984 29.262 -31.149 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -13.946 28.216 -29.201 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -13.721 27.158 -30.580 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -11.391 28.156 -30.871 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -11.634 29.031 -29.372 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -11.928 26.919 -28.130 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -11.856 25.993 -29.616 1.00 0.00 H new ATOM 0 HE ARG A 28 -9.600 27.317 -28.219 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -10.519 25.566 -31.172 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -8.839 25.107 -31.470 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -7.580 26.648 -28.681 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -7.260 25.690 -30.130 1.00 0.00 H new ATOM 437 N GLN A 29 -14.270 31.028 -29.490 1.00 0.00 N ATOM 438 CA GLN A 29 -14.244 32.319 -28.793 1.00 0.00 C ATOM 439 C GLN A 29 -14.219 32.097 -27.272 1.00 0.00 C ATOM 440 O GLN A 29 -15.235 31.794 -26.651 1.00 0.00 O ATOM 441 CB GLN A 29 -15.497 33.150 -29.136 1.00 0.00 C ATOM 442 CG GLN A 29 -15.783 33.350 -30.634 1.00 0.00 C ATOM 443 CD GLN A 29 -17.152 32.802 -31.017 1.00 0.00 C ATOM 444 OE1 GLN A 29 -18.001 33.485 -31.574 1.00 0.00 O ATOM 445 NE2 GLN A 29 -17.408 31.547 -30.714 1.00 0.00 N ATOM 0 H GLN A 29 -14.934 30.388 -29.054 1.00 0.00 H new ATOM 0 HA GLN A 29 -13.349 32.852 -29.114 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -16.363 32.669 -28.682 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -15.397 34.131 -28.671 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -15.733 34.411 -30.877 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -15.012 32.852 -31.223 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -16.699 30.980 -30.250 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -18.316 31.142 -30.943 1.00 0.00 H new ATOM 454 N ILE A 30 -13.056 32.237 -26.647 1.00 0.00 N ATOM 455 CA ILE A 30 -12.902 32.184 -25.193 1.00 0.00 C ATOM 456 C ILE A 30 -13.243 33.562 -24.619 1.00 0.00 C ATOM 457 O ILE A 30 -12.504 34.531 -24.812 1.00 0.00 O ATOM 458 CB ILE A 30 -11.485 31.708 -24.813 1.00 0.00 C ATOM 459 CG1 ILE A 30 -11.210 30.240 -25.209 1.00 0.00 C ATOM 460 CG2 ILE A 30 -11.280 31.798 -23.287 1.00 0.00 C ATOM 461 CD1 ILE A 30 -11.293 29.851 -26.689 1.00 0.00 C ATOM 0 H ILE A 30 -12.178 32.393 -27.142 1.00 0.00 H new ATOM 0 HA ILE A 30 -13.588 31.455 -24.761 1.00 0.00 H new ATOM 0 HB ILE A 30 -10.804 32.361 -25.358 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -10.212 29.983 -24.855 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -11.913 29.612 -24.662 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -10.275 31.459 -23.034 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -11.406 32.831 -22.963 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -12.013 31.168 -22.784 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -11.074 28.789 -26.799 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -12.296 30.055 -27.063 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -10.568 30.432 -27.259 1.00 0.00 H new ATOM 473 N ALA A 31 -14.369 33.649 -23.920 1.00 0.00 N ATOM 474 CA ALA A 31 -14.736 34.781 -23.072 1.00 0.00 C ATOM 475 C ALA A 31 -14.386 34.512 -21.596 1.00 0.00 C ATOM 476 O ALA A 31 -14.172 33.370 -21.186 1.00 0.00 O ATOM 477 CB ALA A 31 -16.226 35.075 -23.272 1.00 0.00 C ATOM 0 H ALA A 31 -15.074 32.912 -23.927 1.00 0.00 H new ATOM 0 HA ALA A 31 -14.161 35.661 -23.359 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -16.518 35.918 -22.646 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -16.412 35.319 -24.318 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -16.810 34.198 -22.995 1.00 0.00 H new ATOM 483 N ARG A 32 -14.351 35.573 -20.787 1.00 0.00 N ATOM 484 CA ARG A 32 -14.219 35.518 -19.321 1.00 0.00 C ATOM 485 C ARG A 32 -15.485 36.031 -18.649 1.00 0.00 C ATOM 486 O ARG A 32 -16.137 36.934 -19.169 1.00 0.00 O ATOM 487 CB ARG A 32 -12.985 36.318 -18.869 1.00 0.00 C ATOM 488 CG ARG A 32 -11.735 35.437 -18.777 1.00 0.00 C ATOM 489 CD ARG A 32 -10.458 36.283 -18.790 1.00 0.00 C ATOM 490 NE ARG A 32 -10.260 37.074 -17.557 1.00 0.00 N ATOM 491 CZ ARG A 32 -9.216 37.842 -17.296 1.00 0.00 C ATOM 492 NH1 ARG A 32 -8.179 37.896 -18.083 1.00 0.00 N ATOM 493 NH2 ARG A 32 -9.204 38.593 -16.238 1.00 0.00 N ATOM 0 H ARG A 32 -14.416 36.527 -21.141 1.00 0.00 H new ATOM 0 HA ARG A 32 -14.081 34.480 -19.019 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -12.804 37.133 -19.570 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -13.182 36.771 -17.897 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -11.772 34.844 -17.863 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -11.719 34.736 -19.612 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.599 35.627 -18.933 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -10.489 36.959 -19.644 1.00 0.00 H new ATOM 0 HE ARG A 32 -10.991 37.023 -16.847 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -8.154 37.334 -18.934 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -7.392 38.501 -17.849 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -10.002 38.593 -15.603 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -8.396 39.184 -16.041 1.00 0.00 H new ATOM 507 N TYR A 33 -15.793 35.506 -17.467 1.00 0.00 N ATOM 508 CA TYR A 33 -16.913 35.952 -16.639 1.00 0.00 C ATOM 509 C TYR A 33 -16.523 36.004 -15.155 1.00 0.00 C ATOM 510 O TYR A 33 -15.780 35.149 -14.672 1.00 0.00 O ATOM 511 CB TYR A 33 -18.131 35.044 -16.833 1.00 0.00 C ATOM 512 CG TYR A 33 -18.704 34.975 -18.230 1.00 0.00 C ATOM 513 CD1 TYR A 33 -18.095 34.179 -19.217 1.00 0.00 C ATOM 514 CD2 TYR A 33 -19.880 35.680 -18.526 1.00 0.00 C ATOM 515 CE1 TYR A 33 -18.678 34.077 -20.493 1.00 0.00 C ATOM 516 CE2 TYR A 33 -20.456 35.596 -19.803 1.00 0.00 C ATOM 517 CZ TYR A 33 -19.876 34.765 -20.777 1.00 0.00 C ATOM 518 OH TYR A 33 -20.503 34.606 -21.967 1.00 0.00 O ATOM 0 H TYR A 33 -15.261 34.743 -17.048 1.00 0.00 H new ATOM 0 HA TYR A 33 -17.175 36.961 -16.959 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -17.857 34.035 -16.526 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -18.918 35.379 -16.157 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -17.182 33.647 -18.995 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -20.345 36.291 -17.767 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -18.209 33.472 -21.255 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -21.342 36.168 -20.037 1.00 0.00 H new ATOM 0 HH TYR A 33 -21.176 35.309 -22.078 1.00 0.00 H new ATOM 528 N ARG A 34 -17.037 37.008 -14.439 1.00 0.00 N ATOM 529 CA ARG A 34 -16.776 37.301 -13.020 1.00 0.00 C ATOM 530 C ARG A 34 -18.002 36.994 -12.161 1.00 0.00 C ATOM 531 O ARG A 34 -19.085 37.512 -12.432 1.00 0.00 O ATOM 532 CB ARG A 34 -16.348 38.774 -12.908 1.00 0.00 C ATOM 533 CG ARG A 34 -15.876 39.163 -11.500 1.00 0.00 C ATOM 534 CD ARG A 34 -15.283 40.574 -11.536 1.00 0.00 C ATOM 535 NE ARG A 34 -14.851 41.027 -10.200 1.00 0.00 N ATOM 536 CZ ARG A 34 -13.624 41.047 -9.705 1.00 0.00 C ATOM 537 NH1 ARG A 34 -12.571 40.656 -10.364 1.00 0.00 N ATOM 538 NH2 ARG A 34 -13.427 41.481 -8.492 1.00 0.00 N ATOM 0 H ARG A 34 -17.684 37.678 -14.854 1.00 0.00 H new ATOM 0 HA ARG A 34 -15.975 36.664 -12.644 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -15.545 38.967 -13.619 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -17.185 39.411 -13.192 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -16.711 39.125 -10.801 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -15.130 38.452 -11.145 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -14.432 40.592 -12.217 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -16.024 41.268 -11.932 1.00 0.00 H new ATOM 0 HE ARG A 34 -15.588 41.366 -9.582 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -12.666 40.309 -11.319 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -11.651 40.696 -9.926 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -14.216 41.802 -7.931 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -12.484 41.499 -8.104 1.00 0.00 H new ATOM 552 N THR A 35 -17.833 36.161 -11.139 1.00 0.00 N ATOM 553 CA THR A 35 -18.897 35.718 -10.218 1.00 0.00 C ATOM 554 C THR A 35 -19.184 36.768 -9.146 1.00 0.00 C ATOM 555 O THR A 35 -18.517 37.802 -9.059 1.00 0.00 O ATOM 556 CB THR A 35 -18.559 34.394 -9.519 1.00 0.00 C ATOM 557 OG1 THR A 35 -17.423 34.560 -8.725 1.00 0.00 O ATOM 558 CG2 THR A 35 -18.327 33.247 -10.483 1.00 0.00 C ATOM 0 H THR A 35 -16.924 35.757 -10.914 1.00 0.00 H new ATOM 0 HA THR A 35 -19.779 35.572 -10.842 1.00 0.00 H new ATOM 0 HB THR A 35 -19.426 34.133 -8.912 1.00 0.00 H new ATOM 0 HG1 THR A 35 -16.646 34.729 -9.297 1.00 0.00 H new ATOM 0 HG21 THR A 35 -18.093 32.342 -9.922 1.00 0.00 H new ATOM 0 HG22 THR A 35 -19.226 33.083 -11.077 1.00 0.00 H new ATOM 0 HG23 THR A 35 -17.495 33.490 -11.144 1.00 0.00 H new ATOM 566 N ASP A 36 -20.147 36.484 -8.267 1.00 0.00 N ATOM 567 CA ASP A 36 -20.543 37.412 -7.212 1.00 0.00 C ATOM 568 C ASP A 36 -19.514 37.538 -6.072 1.00 0.00 C ATOM 569 O ASP A 36 -19.538 38.537 -5.349 1.00 0.00 O ATOM 570 CB ASP A 36 -21.935 37.019 -6.699 1.00 0.00 C ATOM 571 CG ASP A 36 -22.548 38.081 -5.769 1.00 0.00 C ATOM 572 OD1 ASP A 36 -22.838 39.206 -6.243 1.00 0.00 O ATOM 573 OD2 ASP A 36 -22.781 37.782 -4.573 1.00 0.00 O ATOM 0 H ASP A 36 -20.670 35.609 -8.268 1.00 0.00 H new ATOM 0 HA ASP A 36 -20.583 38.411 -7.646 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -22.599 36.859 -7.549 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -21.867 36.071 -6.166 1.00 0.00 H new ATOM 578 N ASN A 37 -18.559 36.599 -5.944 1.00 0.00 N ATOM 579 CA ASN A 37 -17.437 36.766 -5.005 1.00 0.00 C ATOM 580 C ASN A 37 -16.215 37.469 -5.649 1.00 0.00 C ATOM 581 O ASN A 37 -15.161 37.585 -5.019 1.00 0.00 O ATOM 582 CB ASN A 37 -17.041 35.438 -4.348 1.00 0.00 C ATOM 583 CG ASN A 37 -18.169 34.491 -3.985 1.00 0.00 C ATOM 584 OD1 ASN A 37 -19.231 34.862 -3.503 1.00 0.00 O ATOM 585 ND2 ASN A 37 -17.939 33.217 -4.191 1.00 0.00 N ATOM 0 H ASN A 37 -18.542 35.727 -6.473 1.00 0.00 H new ATOM 0 HA ASN A 37 -17.796 37.429 -4.217 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -16.362 34.915 -5.021 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -16.480 35.662 -3.441 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -18.648 32.525 -3.949 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -17.051 32.918 -4.593 1.00 0.00 H new ATOM 592 N GLY A 38 -16.323 37.888 -6.917 1.00 0.00 N ATOM 593 CA GLY A 38 -15.208 38.356 -7.751 1.00 0.00 C ATOM 594 C GLY A 38 -14.371 37.245 -8.383 1.00 0.00 C ATOM 595 O GLY A 38 -13.325 37.532 -8.963 1.00 0.00 O ATOM 0 H GLY A 38 -17.218 37.911 -7.406 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -15.607 38.988 -8.545 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.555 38.982 -7.143 1.00 0.00 H new ATOM 599 N GLU A 39 -14.796 35.985 -8.269 1.00 0.00 N ATOM 600 CA GLU A 39 -14.057 34.848 -8.835 1.00 0.00 C ATOM 601 C GLU A 39 -14.236 34.861 -10.358 1.00 0.00 C ATOM 602 O GLU A 39 -15.365 34.783 -10.844 1.00 0.00 O ATOM 603 CB GLU A 39 -14.514 33.502 -8.236 1.00 0.00 C ATOM 604 CG GLU A 39 -14.873 33.576 -6.746 1.00 0.00 C ATOM 605 CD GLU A 39 -14.648 32.296 -5.922 1.00 0.00 C ATOM 606 OE1 GLU A 39 -13.664 31.550 -6.149 1.00 0.00 O ATOM 607 OE2 GLU A 39 -15.455 32.071 -4.987 1.00 0.00 O ATOM 0 H GLU A 39 -15.655 35.722 -7.786 1.00 0.00 H new ATOM 0 HA GLU A 39 -13.002 34.952 -8.582 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -15.381 33.144 -8.791 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -13.721 32.766 -8.373 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -14.291 34.379 -6.294 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -15.923 33.856 -6.661 1.00 0.00 H new ATOM 614 N GLU A 40 -13.150 34.967 -11.117 1.00 0.00 N ATOM 615 CA GLU A 40 -13.193 35.019 -12.586 1.00 0.00 C ATOM 616 C GLU A 40 -12.803 33.679 -13.220 1.00 0.00 C ATOM 617 O GLU A 40 -11.780 33.079 -12.874 1.00 0.00 O ATOM 618 CB GLU A 40 -12.277 36.125 -13.133 1.00 0.00 C ATOM 619 CG GLU A 40 -12.950 37.492 -13.026 1.00 0.00 C ATOM 620 CD GLU A 40 -12.076 38.635 -13.565 1.00 0.00 C ATOM 621 OE1 GLU A 40 -11.418 38.462 -14.619 1.00 0.00 O ATOM 622 OE2 GLU A 40 -12.073 39.718 -12.935 1.00 0.00 O ATOM 0 H GLU A 40 -12.206 35.020 -10.734 1.00 0.00 H new ATOM 0 HA GLU A 40 -14.225 35.242 -12.855 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.338 36.133 -12.579 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -12.031 35.917 -14.174 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -13.891 37.472 -13.575 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -13.194 37.690 -11.982 1.00 0.00 H new ATOM 629 N PHE A 41 -13.619 33.242 -14.181 1.00 0.00 N ATOM 630 CA PHE A 41 -13.444 32.005 -14.947 1.00 0.00 C ATOM 631 C PHE A 41 -13.539 32.245 -16.456 1.00 0.00 C ATOM 632 O PHE A 41 -14.062 33.264 -16.911 1.00 0.00 O ATOM 633 CB PHE A 41 -14.492 30.980 -14.501 1.00 0.00 C ATOM 634 CG PHE A 41 -14.338 30.547 -13.056 1.00 0.00 C ATOM 635 CD1 PHE A 41 -14.956 31.266 -12.012 1.00 0.00 C ATOM 636 CD2 PHE A 41 -13.524 29.439 -12.752 1.00 0.00 C ATOM 637 CE1 PHE A 41 -14.753 30.865 -10.686 1.00 0.00 C ATOM 638 CE2 PHE A 41 -13.317 29.049 -11.418 1.00 0.00 C ATOM 639 CZ PHE A 41 -13.930 29.768 -10.381 1.00 0.00 C ATOM 0 H PHE A 41 -14.453 33.760 -14.458 1.00 0.00 H new ATOM 0 HA PHE A 41 -12.443 31.621 -14.748 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -15.486 31.404 -14.641 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -14.427 30.102 -15.144 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -15.581 32.119 -12.233 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -13.055 28.884 -13.551 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -15.236 31.407 -9.886 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -12.689 28.200 -11.192 1.00 0.00 H new ATOM 0 HZ PHE A 41 -13.770 29.479 -9.353 1.00 0.00 H new ATOM 649 N GLU A 42 -13.058 31.279 -17.237 1.00 0.00 N ATOM 650 CA GLU A 42 -13.036 31.321 -18.701 1.00 0.00 C ATOM 651 C GLU A 42 -14.031 30.321 -19.308 1.00 0.00 C ATOM 652 O GLU A 42 -14.096 29.161 -18.887 1.00 0.00 O ATOM 653 CB GLU A 42 -11.625 31.062 -19.264 1.00 0.00 C ATOM 654 CG GLU A 42 -10.477 31.818 -18.574 1.00 0.00 C ATOM 655 CD GLU A 42 -9.778 30.955 -17.502 1.00 0.00 C ATOM 656 OE1 GLU A 42 -8.835 30.203 -17.849 1.00 0.00 O ATOM 657 OE2 GLU A 42 -10.155 31.025 -16.307 1.00 0.00 O ATOM 0 H GLU A 42 -12.661 30.419 -16.859 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.337 32.329 -18.985 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -11.420 29.993 -19.201 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.623 31.325 -20.322 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -9.747 32.129 -19.321 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -10.866 32.725 -18.112 1.00 0.00 H new ATOM 664 N VAL A 43 -14.775 30.758 -20.325 1.00 0.00 N ATOM 665 CA VAL A 43 -15.769 29.953 -21.059 1.00 0.00 C ATOM 666 C VAL A 43 -15.476 29.964 -22.572 1.00 0.00 C ATOM 667 O VAL A 43 -15.670 30.995 -23.224 1.00 0.00 O ATOM 668 CB VAL A 43 -17.202 30.448 -20.786 1.00 0.00 C ATOM 669 CG1 VAL A 43 -18.235 29.519 -21.436 1.00 0.00 C ATOM 670 CG2 VAL A 43 -17.521 30.553 -19.289 1.00 0.00 C ATOM 0 H VAL A 43 -14.705 31.713 -20.677 1.00 0.00 H new ATOM 0 HA VAL A 43 -15.691 28.927 -20.699 1.00 0.00 H new ATOM 0 HB VAL A 43 -17.259 31.446 -21.221 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -19.239 29.890 -21.229 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -18.073 29.492 -22.514 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -18.128 28.514 -21.028 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -18.544 30.907 -19.159 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -17.414 29.573 -18.825 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -16.832 31.254 -18.818 1.00 0.00 H new ATOM 680 N PRO A 44 -15.032 28.835 -23.159 1.00 0.00 N ATOM 681 CA PRO A 44 -14.933 28.653 -24.604 1.00 0.00 C ATOM 682 C PRO A 44 -16.312 28.461 -25.256 1.00 0.00 C ATOM 683 O PRO A 44 -17.052 27.528 -24.935 1.00 0.00 O ATOM 684 CB PRO A 44 -14.019 27.437 -24.829 1.00 0.00 C ATOM 685 CG PRO A 44 -13.359 27.190 -23.472 1.00 0.00 C ATOM 686 CD PRO A 44 -14.388 27.726 -22.484 1.00 0.00 C ATOM 0 HA PRO A 44 -14.516 29.543 -25.076 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -14.590 26.568 -25.156 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -13.275 27.638 -25.600 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -13.157 26.131 -23.309 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -12.407 27.713 -23.386 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -15.112 26.957 -22.215 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -13.912 28.052 -21.560 1.00 0.00 H new ATOM 694 N PHE A 45 -16.623 29.327 -26.216 1.00 0.00 N ATOM 695 CA PHE A 45 -17.770 29.241 -27.130 1.00 0.00 C ATOM 696 C PHE A 45 -17.328 28.815 -28.532 1.00 0.00 C ATOM 697 O PHE A 45 -16.306 29.281 -29.023 1.00 0.00 O ATOM 698 CB PHE A 45 -18.471 30.603 -27.204 1.00 0.00 C ATOM 699 CG PHE A 45 -19.292 30.927 -25.974 1.00 0.00 C ATOM 700 CD1 PHE A 45 -18.674 31.504 -24.849 1.00 0.00 C ATOM 701 CD2 PHE A 45 -20.672 30.649 -25.950 1.00 0.00 C ATOM 702 CE1 PHE A 45 -19.434 31.806 -23.710 1.00 0.00 C ATOM 703 CE2 PHE A 45 -21.430 30.946 -24.801 1.00 0.00 C ATOM 704 CZ PHE A 45 -20.806 31.519 -23.679 1.00 0.00 C ATOM 0 H PHE A 45 -16.054 30.155 -26.391 1.00 0.00 H new ATOM 0 HA PHE A 45 -18.459 28.489 -26.745 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -17.721 31.381 -27.346 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -19.120 30.622 -28.080 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -17.615 31.714 -24.863 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -21.149 30.208 -26.813 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -18.960 32.262 -22.853 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -22.489 30.734 -24.782 1.00 0.00 H new ATOM 0 HZ PHE A 45 -21.384 31.738 -22.793 1.00 0.00 H new ATOM 714 N ALA A 46 -18.119 28.004 -29.225 1.00 0.00 N ATOM 715 CA ALA A 46 -17.872 27.637 -30.624 1.00 0.00 C ATOM 716 C ALA A 46 -18.433 28.705 -31.581 1.00 0.00 C ATOM 717 O ALA A 46 -19.323 29.467 -31.207 1.00 0.00 O ATOM 718 CB ALA A 46 -18.477 26.252 -30.885 1.00 0.00 C ATOM 0 H ALA A 46 -18.958 27.576 -28.833 1.00 0.00 H new ATOM 0 HA ALA A 46 -16.799 27.590 -30.811 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -18.300 25.967 -31.922 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -18.012 25.521 -30.224 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -19.550 26.282 -30.695 1.00 0.00 H new ATOM 724 N ASP A 47 -17.955 28.755 -32.825 1.00 0.00 N ATOM 725 CA ASP A 47 -18.425 29.699 -33.859 1.00 0.00 C ATOM 726 C ASP A 47 -19.926 29.543 -34.204 1.00 0.00 C ATOM 727 O ASP A 47 -20.559 30.472 -34.710 1.00 0.00 O ATOM 728 CB ASP A 47 -17.544 29.532 -35.104 1.00 0.00 C ATOM 729 CG ASP A 47 -17.917 30.505 -36.237 1.00 0.00 C ATOM 730 OD1 ASP A 47 -17.652 31.723 -36.098 1.00 0.00 O ATOM 731 OD2 ASP A 47 -18.442 30.047 -37.280 1.00 0.00 O ATOM 0 H ASP A 47 -17.217 28.133 -33.155 1.00 0.00 H new ATOM 0 HA ASP A 47 -18.333 30.710 -33.461 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -16.501 29.686 -34.828 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -17.629 28.508 -35.468 1.00 0.00 H new ATOM 736 N ASP A 48 -20.522 28.387 -33.887 1.00 0.00 N ATOM 737 CA ASP A 48 -21.969 28.132 -33.991 1.00 0.00 C ATOM 738 C ASP A 48 -22.799 28.872 -32.911 1.00 0.00 C ATOM 739 O ASP A 48 -24.024 28.967 -33.014 1.00 0.00 O ATOM 740 CB ASP A 48 -22.184 26.614 -33.913 1.00 0.00 C ATOM 741 CG ASP A 48 -23.629 26.192 -34.234 1.00 0.00 C ATOM 742 OD1 ASP A 48 -24.083 26.408 -35.384 1.00 0.00 O ATOM 743 OD2 ASP A 48 -24.301 25.600 -33.355 1.00 0.00 O ATOM 0 H ASP A 48 -20.001 27.581 -33.542 1.00 0.00 H new ATOM 0 HA ASP A 48 -22.326 28.526 -34.943 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -21.505 26.121 -34.608 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -21.924 26.267 -32.913 1.00 0.00 H new ATOM 748 N ALA A 49 -22.130 29.423 -31.892 1.00 0.00 N ATOM 749 CA ALA A 49 -22.688 30.217 -30.795 1.00 0.00 C ATOM 750 C ALA A 49 -22.116 31.652 -30.767 1.00 0.00 C ATOM 751 O ALA A 49 -21.109 31.961 -31.409 1.00 0.00 O ATOM 752 CB ALA A 49 -22.405 29.475 -29.481 1.00 0.00 C ATOM 0 H ALA A 49 -21.119 29.319 -31.808 1.00 0.00 H new ATOM 0 HA ALA A 49 -23.763 30.328 -30.939 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -22.811 30.046 -28.646 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -22.874 28.492 -29.510 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -21.329 29.360 -29.353 1.00 0.00 H new ATOM 758 N GLU A 50 -22.739 32.534 -29.980 1.00 0.00 N ATOM 759 CA GLU A 50 -22.232 33.875 -29.657 1.00 0.00 C ATOM 760 C GLU A 50 -22.392 34.192 -28.160 1.00 0.00 C ATOM 761 O GLU A 50 -23.334 33.725 -27.519 1.00 0.00 O ATOM 762 CB GLU A 50 -22.899 34.931 -30.555 1.00 0.00 C ATOM 763 CG GLU A 50 -24.373 35.203 -30.226 1.00 0.00 C ATOM 764 CD GLU A 50 -25.013 36.128 -31.281 1.00 0.00 C ATOM 765 OE1 GLU A 50 -24.878 37.371 -31.168 1.00 0.00 O ATOM 766 OE2 GLU A 50 -25.665 35.621 -32.227 1.00 0.00 O ATOM 0 H GLU A 50 -23.635 32.331 -29.537 1.00 0.00 H new ATOM 0 HA GLU A 50 -21.162 33.899 -29.862 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -22.343 35.865 -30.472 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -22.825 34.607 -31.593 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -24.920 34.261 -30.184 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -24.451 35.661 -29.240 1.00 0.00 H new ATOM 773 N ILE A 51 -21.462 34.983 -27.617 1.00 0.00 N ATOM 774 CA ILE A 51 -21.281 35.325 -26.202 1.00 0.00 C ATOM 775 C ILE A 51 -22.497 36.088 -25.642 1.00 0.00 C ATOM 776 O ILE A 51 -22.722 37.249 -26.007 1.00 0.00 O ATOM 777 CB ILE A 51 -19.999 36.162 -25.976 1.00 0.00 C ATOM 778 CG1 ILE A 51 -18.776 35.705 -26.809 1.00 0.00 C ATOM 779 CG2 ILE A 51 -19.638 36.189 -24.480 1.00 0.00 C ATOM 780 CD1 ILE A 51 -18.272 34.289 -26.533 1.00 0.00 C ATOM 0 H ILE A 51 -20.760 35.437 -28.202 1.00 0.00 H new ATOM 0 HA ILE A 51 -21.182 34.381 -25.667 1.00 0.00 H new ATOM 0 HB ILE A 51 -20.239 37.165 -26.329 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -19.032 35.779 -27.866 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -17.958 36.402 -26.630 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -18.734 36.781 -24.334 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -20.458 36.634 -23.916 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -19.466 35.172 -24.129 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -17.415 34.077 -27.172 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -17.975 34.206 -25.488 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -19.066 33.573 -26.743 1.00 0.00 H new ATOM 792 N PRO A 52 -23.285 35.465 -24.757 1.00 0.00 N ATOM 793 CA PRO A 52 -24.296 36.148 -23.968 1.00 0.00 C ATOM 794 C PRO A 52 -23.645 37.023 -22.882 1.00 0.00 C ATOM 795 O PRO A 52 -22.571 36.705 -22.363 1.00 0.00 O ATOM 796 CB PRO A 52 -25.151 35.026 -23.381 1.00 0.00 C ATOM 797 CG PRO A 52 -24.175 33.860 -23.238 1.00 0.00 C ATOM 798 CD PRO A 52 -23.149 34.082 -24.342 1.00 0.00 C ATOM 0 HA PRO A 52 -24.901 36.836 -24.559 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -25.578 35.310 -22.419 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -25.984 34.772 -24.037 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -23.705 33.855 -22.255 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -24.682 32.902 -23.354 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -22.140 33.883 -23.980 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -23.327 33.406 -25.179 1.00 0.00 H new ATOM 806 N GLY A 53 -24.322 38.115 -22.512 1.00 0.00 N ATOM 807 CA GLY A 53 -23.902 39.074 -21.476 1.00 0.00 C ATOM 808 C GLY A 53 -23.495 38.449 -20.134 1.00 0.00 C ATOM 809 O GLY A 53 -22.638 38.993 -19.434 1.00 0.00 O ATOM 0 H GLY A 53 -25.212 38.368 -22.940 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -23.062 39.653 -21.859 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -24.718 39.775 -21.300 1.00 0.00 H new ATOM 813 N THR A 54 -24.077 37.301 -19.771 1.00 0.00 N ATOM 814 CA THR A 54 -23.673 36.514 -18.600 1.00 0.00 C ATOM 815 C THR A 54 -23.685 34.999 -18.863 1.00 0.00 C ATOM 816 O THR A 54 -24.346 34.524 -19.792 1.00 0.00 O ATOM 817 CB THR A 54 -24.612 36.781 -17.401 1.00 0.00 C ATOM 818 OG1 THR A 54 -25.943 36.428 -17.728 1.00 0.00 O ATOM 819 CG2 THR A 54 -24.701 38.247 -16.984 1.00 0.00 C ATOM 0 H THR A 54 -24.852 36.887 -20.289 1.00 0.00 H new ATOM 0 HA THR A 54 -22.654 36.830 -18.379 1.00 0.00 H new ATOM 0 HB THR A 54 -24.181 36.189 -16.594 1.00 0.00 H new ATOM 0 HG1 THR A 54 -26.526 36.601 -16.959 1.00 0.00 H new ATOM 0 HG21 THR A 54 -25.380 38.344 -16.137 1.00 0.00 H new ATOM 0 HG22 THR A 54 -23.712 38.605 -16.699 1.00 0.00 H new ATOM 0 HG23 THR A 54 -25.075 38.841 -17.818 1.00 0.00 H new ATOM 827 N TRP A 55 -22.953 34.228 -18.047 1.00 0.00 N ATOM 828 CA TRP A 55 -22.825 32.766 -18.155 1.00 0.00 C ATOM 829 C TRP A 55 -22.416 32.113 -16.819 1.00 0.00 C ATOM 830 O TRP A 55 -21.685 32.706 -16.024 1.00 0.00 O ATOM 831 CB TRP A 55 -21.796 32.429 -19.240 1.00 0.00 C ATOM 832 CG TRP A 55 -21.779 30.996 -19.676 1.00 0.00 C ATOM 833 CD1 TRP A 55 -20.986 30.036 -19.160 1.00 0.00 C ATOM 834 CD2 TRP A 55 -22.577 30.330 -20.703 1.00 0.00 C ATOM 835 NE1 TRP A 55 -21.189 28.845 -19.824 1.00 0.00 N ATOM 836 CE2 TRP A 55 -22.173 28.963 -20.780 1.00 0.00 C ATOM 837 CE3 TRP A 55 -23.592 30.749 -21.587 1.00 0.00 C ATOM 838 CZ2 TRP A 55 -22.743 28.061 -21.692 1.00 0.00 C ATOM 839 CZ3 TRP A 55 -24.177 29.853 -22.504 1.00 0.00 C ATOM 840 CH2 TRP A 55 -23.755 28.511 -22.558 1.00 0.00 C ATOM 0 H TRP A 55 -22.417 34.615 -17.270 1.00 0.00 H new ATOM 0 HA TRP A 55 -23.802 32.363 -18.422 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -21.991 33.055 -20.111 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -20.804 32.693 -18.873 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -20.292 30.179 -18.345 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -20.675 27.985 -19.631 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -23.927 31.775 -21.561 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -22.409 27.035 -21.728 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -24.954 30.198 -23.170 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -24.207 27.829 -23.263 1.00 0.00 H new ATOM 851 N LEU A 56 -22.864 30.882 -16.554 1.00 0.00 N ATOM 852 CA LEU A 56 -22.554 30.147 -15.321 1.00 0.00 C ATOM 853 C LEU A 56 -21.068 29.737 -15.260 1.00 0.00 C ATOM 854 O LEU A 56 -20.549 29.078 -16.163 1.00 0.00 O ATOM 855 CB LEU A 56 -23.496 28.931 -15.203 1.00 0.00 C ATOM 856 CG LEU A 56 -24.142 28.768 -13.818 1.00 0.00 C ATOM 857 CD1 LEU A 56 -25.228 27.694 -13.870 1.00 0.00 C ATOM 858 CD2 LEU A 56 -23.127 28.351 -12.757 1.00 0.00 C ATOM 0 H LEU A 56 -23.460 30.360 -17.197 1.00 0.00 H new ATOM 0 HA LEU A 56 -22.721 30.801 -14.466 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -24.284 29.022 -15.951 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -22.935 28.027 -15.439 1.00 0.00 H new ATOM 0 HG LEU A 56 -24.560 29.738 -13.550 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -25.680 27.586 -12.884 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -25.993 27.985 -14.590 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -24.787 26.745 -14.173 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -23.628 28.248 -11.795 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -22.679 27.398 -13.037 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -22.348 29.109 -12.681 1.00 0.00 H new ATOM 870 N CYS A 57 -20.385 30.119 -14.182 1.00 0.00 N ATOM 871 CA CYS A 57 -18.959 29.861 -13.966 1.00 0.00 C ATOM 872 C CYS A 57 -18.698 28.552 -13.213 1.00 0.00 C ATOM 873 O CYS A 57 -19.583 27.989 -12.564 1.00 0.00 O ATOM 874 CB CYS A 57 -18.349 31.049 -13.218 1.00 0.00 C ATOM 875 SG CYS A 57 -18.233 32.461 -14.336 1.00 0.00 S ATOM 0 H CYS A 57 -20.818 30.630 -13.413 1.00 0.00 H new ATOM 0 HA CYS A 57 -18.485 29.746 -14.941 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -18.963 31.304 -12.354 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -17.361 30.787 -12.840 1.00 0.00 H new ATOM 0 HG CYS A 57 -17.717 33.473 -13.704 1.00 0.00 H new ATOM 881 N ARG A 58 -17.437 28.100 -13.236 1.00 0.00 N ATOM 882 CA ARG A 58 -17.006 26.810 -12.663 1.00 0.00 C ATOM 883 C ARG A 58 -17.077 26.758 -11.126 1.00 0.00 C ATOM 884 O ARG A 58 -17.106 25.671 -10.550 1.00 0.00 O ATOM 885 CB ARG A 58 -15.598 26.434 -13.172 1.00 0.00 C ATOM 886 CG ARG A 58 -15.388 26.658 -14.683 1.00 0.00 C ATOM 887 CD ARG A 58 -14.001 26.191 -15.140 1.00 0.00 C ATOM 888 NE ARG A 58 -13.689 26.681 -16.498 1.00 0.00 N ATOM 889 CZ ARG A 58 -12.653 26.338 -17.244 1.00 0.00 C ATOM 890 NH1 ARG A 58 -11.780 25.450 -16.862 1.00 0.00 N ATOM 891 NH2 ARG A 58 -12.476 26.900 -18.404 1.00 0.00 N ATOM 0 H ARG A 58 -16.673 28.626 -13.659 1.00 0.00 H new ATOM 0 HA ARG A 58 -17.722 26.066 -13.013 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -14.859 27.018 -12.624 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -15.410 25.385 -12.943 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -16.155 26.120 -15.240 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -15.510 27.716 -14.914 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -13.246 26.548 -14.440 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -13.959 25.102 -15.126 1.00 0.00 H new ATOM 0 HE ARG A 58 -14.340 27.354 -16.902 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -11.882 24.991 -15.957 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -10.994 25.214 -17.468 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -13.136 27.604 -18.736 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -11.677 26.637 -18.982 1.00 0.00 H new ATOM 905 N ASN A 59 -17.178 27.920 -10.469 1.00 0.00 N ATOM 906 CA ASN A 59 -17.480 28.057 -9.034 1.00 0.00 C ATOM 907 C ASN A 59 -18.930 27.641 -8.673 1.00 0.00 C ATOM 908 O ASN A 59 -19.246 27.386 -7.510 1.00 0.00 O ATOM 909 CB ASN A 59 -17.208 29.527 -8.665 1.00 0.00 C ATOM 910 CG ASN A 59 -17.448 29.925 -7.215 1.00 0.00 C ATOM 911 OD1 ASN A 59 -17.269 29.162 -6.278 1.00 0.00 O ATOM 912 ND2 ASN A 59 -17.805 31.170 -6.989 1.00 0.00 N ATOM 0 H ASN A 59 -17.048 28.819 -10.933 1.00 0.00 H new ATOM 0 HA ASN A 59 -16.848 27.379 -8.460 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -16.171 29.753 -8.913 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -17.832 30.158 -9.298 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -17.932 31.498 -6.032 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -17.955 31.808 -7.771 1.00 0.00 H new ATOM 919 N GLY A 60 -19.817 27.557 -9.669 1.00 0.00 N ATOM 920 CA GLY A 60 -21.248 27.278 -9.505 1.00 0.00 C ATOM 921 C GLY A 60 -22.108 28.536 -9.325 1.00 0.00 C ATOM 922 O GLY A 60 -23.271 28.424 -8.934 1.00 0.00 O ATOM 0 H GLY A 60 -19.550 27.686 -10.645 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -21.603 26.728 -10.376 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -21.385 26.629 -8.640 1.00 0.00 H new ATOM 926 N MET A 61 -21.552 29.725 -9.603 1.00 0.00 N ATOM 927 CA MET A 61 -22.252 31.012 -9.560 1.00 0.00 C ATOM 928 C MET A 61 -22.393 31.616 -10.964 1.00 0.00 C ATOM 929 O MET A 61 -21.531 31.430 -11.824 1.00 0.00 O ATOM 930 CB MET A 61 -21.519 31.954 -8.586 1.00 0.00 C ATOM 931 CG MET A 61 -22.341 33.193 -8.198 1.00 0.00 C ATOM 932 SD MET A 61 -23.990 32.845 -7.517 1.00 0.00 S ATOM 933 CE MET A 61 -24.614 34.532 -7.298 1.00 0.00 C ATOM 0 H MET A 61 -20.572 29.817 -9.872 1.00 0.00 H new ATOM 0 HA MET A 61 -23.267 30.862 -9.193 1.00 0.00 H new ATOM 0 HB2 MET A 61 -21.261 31.401 -7.683 1.00 0.00 H new ATOM 0 HB3 MET A 61 -20.582 32.277 -9.040 1.00 0.00 H new ATOM 0 HG2 MET A 61 -21.777 33.769 -7.464 1.00 0.00 H new ATOM 0 HG3 MET A 61 -22.455 33.824 -9.079 1.00 0.00 H new ATOM 0 HE1 MET A 61 -25.647 34.496 -6.953 1.00 0.00 H new ATOM 0 HE2 MET A 61 -24.003 35.053 -6.561 1.00 0.00 H new ATOM 0 HE3 MET A 61 -24.568 35.063 -8.249 1.00 0.00 H new ATOM 943 N GLU A 62 -23.469 32.363 -11.200 1.00 0.00 N ATOM 944 CA GLU A 62 -23.687 33.113 -12.442 1.00 0.00 C ATOM 945 C GLU A 62 -22.646 34.238 -12.573 1.00 0.00 C ATOM 946 O GLU A 62 -22.657 35.209 -11.813 1.00 0.00 O ATOM 947 CB GLU A 62 -25.122 33.663 -12.497 1.00 0.00 C ATOM 948 CG GLU A 62 -26.163 32.543 -12.624 1.00 0.00 C ATOM 949 CD GLU A 62 -27.589 33.121 -12.720 1.00 0.00 C ATOM 950 OE1 GLU A 62 -28.238 33.328 -11.666 1.00 0.00 O ATOM 951 OE2 GLU A 62 -28.075 33.366 -13.851 1.00 0.00 O ATOM 0 H GLU A 62 -24.227 32.468 -10.526 1.00 0.00 H new ATOM 0 HA GLU A 62 -23.561 32.439 -13.289 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -25.322 34.244 -11.597 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -25.217 34.344 -13.343 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -25.950 31.943 -13.508 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -26.094 31.878 -11.763 1.00 0.00 H new ATOM 958 N GLY A 63 -21.723 34.084 -13.523 1.00 0.00 N ATOM 959 CA GLY A 63 -20.705 35.077 -13.852 1.00 0.00 C ATOM 960 C GLY A 63 -21.194 36.098 -14.881 1.00 0.00 C ATOM 961 O GLY A 63 -21.966 35.765 -15.780 1.00 0.00 O ATOM 0 H GLY A 63 -21.663 33.244 -14.098 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -20.403 35.598 -12.943 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -19.820 34.571 -14.239 1.00 0.00 H new ATOM 965 N THR A 64 -20.700 37.335 -14.801 1.00 0.00 N ATOM 966 CA THR A 64 -20.959 38.386 -15.801 1.00 0.00 C ATOM 967 C THR A 64 -19.738 38.645 -16.668 1.00 0.00 C ATOM 968 O THR A 64 -18.617 38.644 -16.166 1.00 0.00 O ATOM 969 CB THR A 64 -21.410 39.696 -15.138 1.00 0.00 C ATOM 970 OG1 THR A 64 -22.557 39.472 -14.343 1.00 0.00 O ATOM 971 CG2 THR A 64 -21.770 40.793 -16.144 1.00 0.00 C ATOM 0 H THR A 64 -20.102 37.644 -14.034 1.00 0.00 H new ATOM 0 HA THR A 64 -21.766 38.021 -16.436 1.00 0.00 H new ATOM 0 HB THR A 64 -20.559 40.029 -14.544 1.00 0.00 H new ATOM 0 HG1 THR A 64 -22.834 40.314 -13.924 1.00 0.00 H new ATOM 0 HG21 THR A 64 -22.080 41.690 -15.608 1.00 0.00 H new ATOM 0 HG22 THR A 64 -20.901 41.021 -16.761 1.00 0.00 H new ATOM 0 HG23 THR A 64 -22.586 40.450 -16.780 1.00 0.00 H new ATOM 979 N LEU A 65 -19.952 38.860 -17.967 1.00 0.00 N ATOM 980 CA LEU A 65 -18.908 39.078 -18.966 1.00 0.00 C ATOM 981 C LEU A 65 -18.048 40.318 -18.644 1.00 0.00 C ATOM 982 O LEU A 65 -18.573 41.428 -18.529 1.00 0.00 O ATOM 983 CB LEU A 65 -19.618 39.186 -20.330 1.00 0.00 C ATOM 984 CG LEU A 65 -18.694 39.181 -21.559 1.00 0.00 C ATOM 985 CD1 LEU A 65 -18.151 37.798 -21.850 1.00 0.00 C ATOM 986 CD2 LEU A 65 -19.466 39.656 -22.792 1.00 0.00 C ATOM 0 H LEU A 65 -20.891 38.888 -18.365 1.00 0.00 H new ATOM 0 HA LEU A 65 -18.201 38.249 -18.975 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -20.320 38.357 -20.421 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -20.206 40.104 -20.343 1.00 0.00 H new ATOM 0 HG LEU A 65 -17.862 39.849 -21.338 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -17.503 37.838 -22.726 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -17.580 37.443 -20.992 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -18.979 37.115 -22.042 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -18.806 39.650 -23.659 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -20.309 38.989 -22.973 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -19.834 40.668 -22.623 1.00 0.00 H new ATOM 998 N ILE A 66 -16.731 40.125 -18.523 1.00 0.00 N ATOM 999 CA ILE A 66 -15.730 41.183 -18.267 1.00 0.00 C ATOM 1000 C ILE A 66 -14.607 41.173 -19.314 1.00 0.00 C ATOM 1001 O ILE A 66 -14.291 40.137 -19.901 1.00 0.00 O ATOM 1002 CB ILE A 66 -15.149 41.151 -16.827 1.00 0.00 C ATOM 1003 CG1 ILE A 66 -14.224 39.958 -16.483 1.00 0.00 C ATOM 1004 CG2 ILE A 66 -16.254 41.301 -15.771 1.00 0.00 C ATOM 1005 CD1 ILE A 66 -14.802 38.577 -16.704 1.00 0.00 C ATOM 0 H ILE A 66 -16.311 39.199 -18.602 1.00 0.00 H new ATOM 0 HA ILE A 66 -16.273 42.124 -18.358 1.00 0.00 H new ATOM 0 HB ILE A 66 -14.489 42.018 -16.804 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -13.315 40.048 -17.077 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -13.931 40.043 -15.437 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -15.812 41.274 -14.775 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -16.768 42.252 -15.914 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -16.968 40.484 -15.873 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -14.063 37.825 -16.429 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -15.693 38.453 -16.088 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -15.067 38.457 -17.754 1.00 0.00 H new ATOM 1017 N GLU A 67 -13.988 42.333 -19.537 1.00 0.00 N ATOM 1018 CA GLU A 67 -12.844 42.482 -20.447 1.00 0.00 C ATOM 1019 C GLU A 67 -11.554 41.952 -19.793 1.00 0.00 C ATOM 1020 O GLU A 67 -11.227 42.309 -18.658 1.00 0.00 O ATOM 1021 CB GLU A 67 -12.684 43.949 -20.873 1.00 0.00 C ATOM 1022 CG GLU A 67 -13.850 44.446 -21.741 1.00 0.00 C ATOM 1023 CD GLU A 67 -13.830 45.980 -21.847 1.00 0.00 C ATOM 1024 OE1 GLU A 67 -13.126 46.527 -22.726 1.00 0.00 O ATOM 1025 OE2 GLU A 67 -14.526 46.639 -21.038 1.00 0.00 O ATOM 0 H GLU A 67 -14.267 43.206 -19.088 1.00 0.00 H new ATOM 0 HA GLU A 67 -13.034 41.888 -21.341 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -12.606 44.575 -19.984 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -11.751 44.063 -21.425 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -13.783 44.006 -22.736 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -14.796 44.118 -21.311 1.00 0.00 H new ATOM 1032 N GLY A 68 -10.824 41.086 -20.501 1.00 0.00 N ATOM 1033 CA GLY A 68 -9.695 40.327 -19.954 1.00 0.00 C ATOM 1034 C GLY A 68 -8.346 41.061 -19.920 1.00 0.00 C ATOM 1035 O GLY A 68 -7.491 40.714 -19.104 1.00 0.00 O ATOM 0 H GLY A 68 -11.003 40.889 -21.486 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -9.946 40.021 -18.938 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -9.576 39.416 -20.541 1.00 0.00 H new ATOM 1039 N ASP A 69 -8.144 42.063 -20.782 1.00 0.00 N ATOM 1040 CA ASP A 69 -6.855 42.766 -20.951 1.00 0.00 C ATOM 1041 C ASP A 69 -7.001 44.296 -21.146 1.00 0.00 C ATOM 1042 O ASP A 69 -6.090 44.964 -21.640 1.00 0.00 O ATOM 1043 CB ASP A 69 -6.082 42.090 -22.101 1.00 0.00 C ATOM 1044 CG ASP A 69 -4.591 42.477 -22.158 1.00 0.00 C ATOM 1045 OD1 ASP A 69 -3.901 42.418 -21.110 1.00 0.00 O ATOM 1046 OD2 ASP A 69 -4.082 42.779 -23.265 1.00 0.00 O ATOM 0 H ASP A 69 -8.879 42.418 -21.394 1.00 0.00 H new ATOM 0 HA ASP A 69 -6.287 42.676 -20.025 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -6.164 41.008 -21.995 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -6.553 42.354 -23.048 1.00 0.00 H new ATOM 1051 N LEU A 70 -8.146 44.863 -20.746 1.00 0.00 N ATOM 1052 CA LEU A 70 -8.451 46.301 -20.780 1.00 0.00 C ATOM 1053 C LEU A 70 -8.805 46.807 -19.363 1.00 0.00 C ATOM 1054 O LEU A 70 -9.382 46.045 -18.580 1.00 0.00 O ATOM 1055 CB LEU A 70 -9.623 46.590 -21.749 1.00 0.00 C ATOM 1056 CG LEU A 70 -9.414 46.459 -23.273 1.00 0.00 C ATOM 1057 CD1 LEU A 70 -8.228 47.290 -23.767 1.00 0.00 C ATOM 1058 CD2 LEU A 70 -9.258 45.021 -23.771 1.00 0.00 C ATOM 0 H LEU A 70 -8.918 44.310 -20.374 1.00 0.00 H new ATOM 0 HA LEU A 70 -7.566 46.828 -21.137 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -10.442 45.924 -21.476 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -9.961 47.608 -21.554 1.00 0.00 H new ATOM 0 HG LEU A 70 -10.340 46.849 -23.696 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -8.120 47.166 -24.845 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -8.400 48.342 -23.538 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -7.317 46.955 -23.271 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -9.116 45.024 -24.852 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -8.393 44.562 -23.292 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -10.154 44.451 -23.524 1.00 0.00 H new ATOM 1070 N PRO A 71 -8.557 48.092 -19.029 1.00 0.00 N ATOM 1071 CA PRO A 71 -8.935 48.711 -17.748 1.00 0.00 C ATOM 1072 C PRO A 71 -10.443 49.065 -17.678 1.00 0.00 C ATOM 1073 O PRO A 71 -10.832 50.112 -17.161 1.00 0.00 O ATOM 1074 CB PRO A 71 -7.999 49.922 -17.627 1.00 0.00 C ATOM 1075 CG PRO A 71 -7.866 50.381 -19.078 1.00 0.00 C ATOM 1076 CD PRO A 71 -7.827 49.058 -19.845 1.00 0.00 C ATOM 0 HA PRO A 71 -8.815 48.035 -16.902 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -8.422 50.700 -16.992 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -7.035 49.649 -17.197 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -8.707 51.003 -19.385 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -6.961 50.968 -19.236 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -8.287 49.164 -20.827 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -6.800 48.733 -20.008 1.00 0.00 H new ATOM 1084 N GLU A 72 -11.288 48.210 -18.263 1.00 0.00 N ATOM 1085 CA GLU A 72 -12.725 48.373 -18.526 1.00 0.00 C ATOM 1086 C GLU A 72 -13.161 49.816 -18.904 1.00 0.00 C ATOM 1087 O GLU A 72 -13.995 50.418 -18.213 1.00 0.00 O ATOM 1088 CB GLU A 72 -13.505 47.774 -17.346 1.00 0.00 C ATOM 1089 CG GLU A 72 -13.330 46.253 -17.223 1.00 0.00 C ATOM 1090 CD GLU A 72 -14.165 45.703 -16.052 1.00 0.00 C ATOM 1091 OE1 GLU A 72 -13.707 45.779 -14.884 1.00 0.00 O ATOM 1092 OE2 GLU A 72 -15.284 45.187 -16.291 1.00 0.00 O ATOM 0 H GLU A 72 -10.956 47.305 -18.595 1.00 0.00 H new ATOM 0 HA GLU A 72 -12.969 47.821 -19.434 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -13.176 48.248 -16.421 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -14.564 48.004 -17.463 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -13.635 45.770 -18.152 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -12.278 46.014 -17.070 1.00 0.00 H new ATOM 1099 N PRO A 73 -12.626 50.397 -20.001 1.00 0.00 N ATOM 1100 CA PRO A 73 -13.038 51.707 -20.504 1.00 0.00 C ATOM 1101 C PRO A 73 -14.377 51.626 -21.260 1.00 0.00 C ATOM 1102 O PRO A 73 -14.671 50.605 -21.890 1.00 0.00 O ATOM 1103 CB PRO A 73 -11.897 52.146 -21.427 1.00 0.00 C ATOM 1104 CG PRO A 73 -11.414 50.824 -22.026 1.00 0.00 C ATOM 1105 CD PRO A 73 -11.609 49.829 -20.881 1.00 0.00 C ATOM 0 HA PRO A 73 -13.207 52.420 -19.697 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -12.243 52.836 -22.197 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -11.105 52.654 -20.877 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -11.994 50.545 -22.905 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -10.371 50.880 -22.337 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -11.925 48.858 -21.262 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -10.675 49.671 -20.342 1.00 0.00 H new ATOM 1113 N LYS A 74 -15.153 52.726 -21.256 1.00 0.00 N ATOM 1114 CA LYS A 74 -16.399 52.902 -22.044 1.00 0.00 C ATOM 1115 C LYS A 74 -17.402 51.732 -21.924 1.00 0.00 C ATOM 1116 O LYS A 74 -17.326 50.918 -21.000 1.00 0.00 O ATOM 1117 CB LYS A 74 -16.083 53.397 -23.477 1.00 0.00 C ATOM 1118 CG LYS A 74 -15.358 52.408 -24.403 1.00 0.00 C ATOM 1119 CD LYS A 74 -15.161 53.023 -25.797 1.00 0.00 C ATOM 1120 CE LYS A 74 -14.352 52.078 -26.693 1.00 0.00 C ATOM 1121 NZ LYS A 74 -14.088 52.683 -28.026 1.00 0.00 N ATOM 0 H LYS A 74 -14.928 53.544 -20.689 1.00 0.00 H new ATOM 0 HA LYS A 74 -16.971 53.708 -21.584 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -17.021 53.684 -23.953 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -15.476 54.299 -23.400 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -14.391 52.143 -23.976 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -15.934 51.486 -24.484 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -16.131 53.224 -26.252 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -14.646 53.980 -25.709 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -13.406 51.836 -26.208 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -14.894 51.141 -26.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -13.539 52.017 -28.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -14.991 52.891 -28.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -13.549 53.564 -27.907 1.00 0.00 H new ATOM 1135 N LYS A 75 -18.447 51.712 -22.762 1.00 0.00 N ATOM 1136 CA LYS A 75 -19.439 50.620 -22.833 1.00 0.00 C ATOM 1137 C LYS A 75 -18.814 49.312 -23.365 1.00 0.00 C ATOM 1138 O LYS A 75 -18.956 48.975 -24.541 1.00 0.00 O ATOM 1139 CB LYS A 75 -20.662 51.109 -23.639 1.00 0.00 C ATOM 1140 CG LYS A 75 -21.864 50.145 -23.629 1.00 0.00 C ATOM 1141 CD LYS A 75 -22.560 50.061 -22.262 1.00 0.00 C ATOM 1142 CE LYS A 75 -23.805 49.168 -22.360 1.00 0.00 C ATOM 1143 NZ LYS A 75 -24.520 49.081 -21.059 1.00 0.00 N ATOM 0 H LYS A 75 -18.634 52.466 -23.423 1.00 0.00 H new ATOM 0 HA LYS A 75 -19.787 50.364 -21.832 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -20.982 52.072 -23.240 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -20.356 51.277 -24.672 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -22.587 50.468 -24.378 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -21.526 49.150 -23.919 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -21.872 49.659 -21.519 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -22.844 51.059 -21.927 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -24.478 49.564 -23.120 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -23.512 48.169 -22.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -25.355 48.470 -21.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -23.885 48.680 -20.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -24.821 50.032 -20.764 1.00 0.00 H new ATOM 1157 N VAL A 76 -18.119 48.594 -22.478 1.00 0.00 N ATOM 1158 CA VAL A 76 -17.581 47.219 -22.604 1.00 0.00 C ATOM 1159 C VAL A 76 -16.733 46.909 -23.855 1.00 0.00 C ATOM 1160 O VAL A 76 -16.728 45.775 -24.345 1.00 0.00 O ATOM 1161 CB VAL A 76 -18.648 46.144 -22.290 1.00 0.00 C ATOM 1162 CG1 VAL A 76 -19.233 46.332 -20.884 1.00 0.00 C ATOM 1163 CG2 VAL A 76 -19.811 46.094 -23.290 1.00 0.00 C ATOM 0 H VAL A 76 -17.893 48.990 -21.565 1.00 0.00 H new ATOM 0 HA VAL A 76 -16.826 47.171 -21.819 1.00 0.00 H new ATOM 0 HB VAL A 76 -18.108 45.200 -22.364 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -19.980 45.561 -20.694 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -18.436 46.255 -20.145 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -19.700 47.314 -20.813 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -20.512 45.313 -22.994 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -20.323 47.056 -23.301 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -19.425 45.877 -24.286 1.00 0.00 H new ATOM 1173 N LYS A 77 -16.016 47.905 -24.394 1.00 0.00 N ATOM 1174 CA LYS A 77 -15.233 47.817 -25.646 1.00 0.00 C ATOM 1175 C LYS A 77 -13.866 48.528 -25.529 1.00 0.00 C ATOM 1176 O LYS A 77 -13.778 49.520 -24.802 1.00 0.00 O ATOM 1177 CB LYS A 77 -16.074 48.396 -26.805 1.00 0.00 C ATOM 1178 CG LYS A 77 -17.221 47.451 -27.214 1.00 0.00 C ATOM 1179 CD LYS A 77 -17.994 47.938 -28.450 1.00 0.00 C ATOM 1180 CE LYS A 77 -18.741 49.267 -28.253 1.00 0.00 C ATOM 1181 NZ LYS A 77 -19.826 49.163 -27.242 1.00 0.00 N ATOM 0 H LYS A 77 -15.960 48.827 -23.960 1.00 0.00 H new ATOM 0 HA LYS A 77 -15.011 46.769 -25.847 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -16.487 49.360 -26.507 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -15.430 48.578 -27.665 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -16.813 46.461 -27.415 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -17.913 47.347 -26.378 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -17.295 48.048 -29.279 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -18.713 47.171 -28.738 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -18.033 50.036 -27.944 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -19.165 49.587 -29.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -20.436 50.003 -27.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -20.392 48.310 -27.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -19.410 49.103 -26.291 1.00 0.00 H new ATOM 1195 N PRO A 78 -12.824 48.120 -26.287 1.00 0.00 N ATOM 1196 CA PRO A 78 -12.833 47.101 -27.344 1.00 0.00 C ATOM 1197 C PRO A 78 -12.812 45.649 -26.813 1.00 0.00 C ATOM 1198 O PRO A 78 -12.172 45.385 -25.792 1.00 0.00 O ATOM 1199 CB PRO A 78 -11.586 47.393 -28.186 1.00 0.00 C ATOM 1200 CG PRO A 78 -10.605 47.968 -27.165 1.00 0.00 C ATOM 1201 CD PRO A 78 -11.517 48.766 -26.235 1.00 0.00 C ATOM 0 HA PRO A 78 -13.759 47.162 -27.915 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -11.196 46.490 -28.655 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -11.797 48.102 -28.986 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -10.070 47.183 -26.631 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -9.854 48.601 -27.637 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -11.126 48.771 -25.218 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -11.585 49.806 -26.555 1.00 0.00 H new ATOM 1209 N PRO A 79 -13.456 44.682 -27.502 1.00 0.00 N ATOM 1210 CA PRO A 79 -13.391 43.263 -27.132 1.00 0.00 C ATOM 1211 C PRO A 79 -11.966 42.677 -27.275 1.00 0.00 C ATOM 1212 O PRO A 79 -11.185 43.140 -28.111 1.00 0.00 O ATOM 1213 CB PRO A 79 -14.394 42.543 -28.047 1.00 0.00 C ATOM 1214 CG PRO A 79 -15.307 43.657 -28.556 1.00 0.00 C ATOM 1215 CD PRO A 79 -14.364 44.851 -28.628 1.00 0.00 C ATOM 0 HA PRO A 79 -13.642 43.129 -26.080 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -13.889 42.035 -28.869 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -14.957 41.785 -27.502 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -15.734 43.418 -29.530 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -16.141 43.839 -27.878 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -13.822 44.869 -29.573 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -14.911 45.791 -28.556 1.00 0.00 H new ATOM 1223 N ARG A 80 -11.576 41.638 -26.528 1.00 0.00 N ATOM 1224 CA ARG A 80 -12.306 40.913 -25.468 1.00 0.00 C ATOM 1225 C ARG A 80 -11.349 40.483 -24.348 1.00 0.00 C ATOM 1226 O ARG A 80 -11.680 40.744 -23.173 1.00 0.00 O ATOM 1227 CB ARG A 80 -13.029 39.699 -26.083 1.00 0.00 C ATOM 1228 CG ARG A 80 -14.019 39.046 -25.100 1.00 0.00 C ATOM 1229 CD ARG A 80 -14.802 37.895 -25.749 1.00 0.00 C ATOM 1230 NE ARG A 80 -13.914 36.781 -26.133 1.00 0.00 N ATOM 1231 CZ ARG A 80 -13.615 36.365 -27.347 1.00 0.00 C ATOM 1232 NH1 ARG A 80 -14.147 36.821 -28.438 1.00 0.00 N ATOM 1233 NH2 ARG A 80 -12.730 35.438 -27.509 1.00 0.00 N ATOM 1234 OXT ARG A 80 -10.276 39.914 -24.653 1.00 0.00 O ATOM 0 H ARG A 80 -10.647 41.239 -26.660 1.00 0.00 H new ATOM 0 HA ARG A 80 -13.050 41.575 -25.024 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -13.565 40.014 -26.979 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -12.291 38.960 -26.396 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -13.475 38.670 -24.234 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -14.718 39.799 -24.736 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -15.560 37.533 -25.055 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -15.327 38.263 -26.631 1.00 0.00 H new ATOM 0 HE ARG A 80 -13.478 36.271 -25.365 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -14.853 37.556 -28.393 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -13.860 36.445 -29.341 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -12.265 35.030 -26.698 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -12.497 35.114 -28.448 1.00 0.00 H new TER 1248 ARG A 80