USER MOD reduce.3.24.130724 H: found=0, std=0, add=711, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 709 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 64 SER OG : rot 180:sc= 0.155 USER MOD Set 1.2: A 67 SER OG : rot -179:sc= 0.0928 USER MOD Set 2.1: A 13 GLN : amide:sc= 2.1 K(o=3.8,f=0.37) USER MOD Set 2.2: A 36 ASN : amide:sc= 1.67 K(o=3.8,f=-3.6) USER MOD Single : A 1 MET CE :methyl -150:sc= 0 (180deg=-0.141) USER MOD Single : A 1 MET N :NH3+ -112:sc= 0.0277 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 1.94 K(o=1.9,f=-0.014) USER MOD Single : A 4 TYR OH : rot -173:sc= 1.28 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= 0.927 K(o=0.93,f=-2.5!) USER MOD Single : A 23 MET CE :methyl -176:sc= 0 (180deg=-0.0309) USER MOD Single : A 27 LYS NZ :NH3+ -160:sc= 1.26 (180deg=1.15) USER MOD Single : A 29 LYS NZ :NH3+ 178:sc= 0.87 (180deg=0.866) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= 1 K(o=1,f=-4.9!) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.054) USER MOD Single : A 55 SER OG : rot 78:sc= 1.21 USER MOD Single : A 61 LYS NZ :NH3+ -149:sc= 1.2 (180deg=1.07) USER MOD Single : A 62 ASN : amide:sc= 0.973 K(o=0.97,f=0) USER MOD Single : A 68 LYS NZ :NH3+ -159:sc= 1.14 (180deg=0.817) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.136 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0.023 USER MOD Single : A 83 HIS : no HD1:sc= -0.113 K(o=-0.11,f=-5.9!) USER MOD Single : A 84 HIS : no HE2:sc= 0.565 K(o=0.57,f=-2!) USER MOD Single : A 87 SER OG : rot 180:sc= 0.253 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.940 -13.734 -0.490 1.00 0.00 N ATOM 2 CA MET A 1 -5.784 -13.961 0.415 1.00 0.00 C ATOM 3 C MET A 1 -6.290 -14.095 1.854 1.00 0.00 C ATOM 4 O MET A 1 -7.213 -13.378 2.249 1.00 0.00 O ATOM 5 CB MET A 1 -4.750 -12.824 0.291 1.00 0.00 C ATOM 6 CG MET A 1 -3.353 -13.185 0.797 1.00 0.00 C ATOM 7 SD MET A 1 -2.215 -11.773 0.774 1.00 0.00 S ATOM 8 CE MET A 1 -0.841 -12.507 1.687 1.00 0.00 C ATOM 0 H1 MET A 1 -7.069 -14.564 -1.103 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.800 -13.584 0.076 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.762 -12.894 -1.077 1.00 0.00 H new ATOM 0 HA MET A 1 -5.280 -14.884 0.127 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.679 -12.526 -0.755 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.112 -11.958 0.845 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.427 -13.570 1.814 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.944 -13.986 0.182 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.307 -11.727 2.230 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.225 -13.243 2.393 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.160 -12.995 0.990 1.00 0.00 H new ATOM 20 N LEU A 2 -5.705 -15.008 2.632 1.00 0.00 N ATOM 21 CA LEU A 2 -6.152 -15.406 3.970 1.00 0.00 C ATOM 22 C LEU A 2 -4.942 -15.494 4.910 1.00 0.00 C ATOM 23 O LEU A 2 -3.793 -15.390 4.460 1.00 0.00 O ATOM 24 CB LEU A 2 -6.826 -16.798 3.926 1.00 0.00 C ATOM 25 CG LEU A 2 -8.027 -16.999 2.988 1.00 0.00 C ATOM 26 CD1 LEU A 2 -8.436 -18.477 3.017 1.00 0.00 C ATOM 27 CD2 LEU A 2 -9.220 -16.126 3.389 1.00 0.00 C ATOM 0 H LEU A 2 -4.870 -15.513 2.334 1.00 0.00 H new ATOM 0 HA LEU A 2 -6.865 -14.663 4.326 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -6.064 -17.527 3.651 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -7.150 -17.042 4.938 1.00 0.00 H new ATOM 0 HG LEU A 2 -7.729 -16.702 1.982 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -9.288 -18.632 2.355 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -7.600 -19.092 2.683 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -8.711 -18.759 4.034 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -10.046 -16.300 2.700 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -9.533 -16.380 4.402 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -8.931 -15.076 3.352 1.00 0.00 H new ATOM 39 N GLN A 3 -5.225 -15.766 6.190 1.00 0.00 N ATOM 40 CA GLN A 3 -4.288 -16.060 7.268 1.00 0.00 C ATOM 41 C GLN A 3 -4.748 -17.350 7.962 1.00 0.00 C ATOM 42 O GLN A 3 -5.954 -17.581 8.092 1.00 0.00 O ATOM 43 CB GLN A 3 -4.327 -14.900 8.283 1.00 0.00 C ATOM 44 CG GLN A 3 -3.321 -14.985 9.443 1.00 0.00 C ATOM 45 CD GLN A 3 -3.519 -13.835 10.437 1.00 0.00 C ATOM 46 OE1 GLN A 3 -4.408 -13.876 11.284 1.00 0.00 O ATOM 47 NE2 GLN A 3 -2.702 -12.797 10.372 1.00 0.00 N ATOM 0 H GLN A 3 -6.191 -15.786 6.518 1.00 0.00 H new ATOM 0 HA GLN A 3 -3.276 -16.179 6.880 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -4.154 -13.968 7.746 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -5.331 -14.844 8.703 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -3.437 -15.938 9.959 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -2.305 -14.957 9.049 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -1.966 -12.770 9.666 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -2.808 -12.023 11.028 1.00 0.00 H new ATOM 56 N TYR A 4 -3.817 -18.136 8.506 1.00 0.00 N ATOM 57 CA TYR A 4 -4.114 -19.096 9.562 1.00 0.00 C ATOM 58 C TYR A 4 -3.001 -19.131 10.607 1.00 0.00 C ATOM 59 O TYR A 4 -1.890 -18.654 10.367 1.00 0.00 O ATOM 60 CB TYR A 4 -4.470 -20.490 8.998 1.00 0.00 C ATOM 61 CG TYR A 4 -3.499 -21.194 8.062 1.00 0.00 C ATOM 62 CD1 TYR A 4 -2.152 -21.418 8.422 1.00 0.00 C ATOM 63 CD2 TYR A 4 -3.999 -21.774 6.879 1.00 0.00 C ATOM 64 CE1 TYR A 4 -1.304 -22.160 7.586 1.00 0.00 C ATOM 65 CE2 TYR A 4 -3.169 -22.563 6.068 1.00 0.00 C ATOM 66 CZ TYR A 4 -1.810 -22.741 6.407 1.00 0.00 C ATOM 67 OH TYR A 4 -0.991 -23.501 5.638 1.00 0.00 O ATOM 0 H TYR A 4 -2.837 -18.122 8.224 1.00 0.00 H new ATOM 0 HA TYR A 4 -5.011 -18.756 10.079 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -4.641 -21.151 9.848 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -5.420 -20.396 8.471 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -1.771 -21.015 9.349 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -5.028 -21.610 6.595 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -0.263 -22.286 7.847 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -3.570 -23.035 5.183 1.00 0.00 H new ATOM 0 HH TYR A 4 -1.454 -23.744 4.809 1.00 0.00 H new ATOM 77 N ARG A 5 -3.301 -19.742 11.755 1.00 0.00 N ATOM 78 CA ARG A 5 -2.358 -20.124 12.798 1.00 0.00 C ATOM 79 C ARG A 5 -2.547 -21.623 12.973 1.00 0.00 C ATOM 80 O ARG A 5 -3.686 -22.096 12.982 1.00 0.00 O ATOM 81 CB ARG A 5 -2.662 -19.369 14.105 1.00 0.00 C ATOM 82 CG ARG A 5 -1.575 -19.556 15.183 1.00 0.00 C ATOM 83 CD ARG A 5 -2.126 -19.171 16.563 1.00 0.00 C ATOM 84 NE ARG A 5 -1.074 -19.112 17.592 1.00 0.00 N ATOM 85 CZ ARG A 5 -1.266 -19.066 18.916 1.00 0.00 C ATOM 86 NH1 ARG A 5 -2.492 -19.069 19.436 1.00 0.00 N ATOM 87 NH2 ARG A 5 -0.202 -19.015 19.706 1.00 0.00 N ATOM 0 H ARG A 5 -4.261 -19.995 11.991 1.00 0.00 H new ATOM 0 HA ARG A 5 -1.330 -19.877 12.535 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -2.769 -18.306 13.887 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -3.619 -19.711 14.500 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -1.238 -20.593 15.194 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -0.707 -18.941 14.945 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -2.620 -18.202 16.496 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -2.884 -19.895 16.863 1.00 0.00 H new ATOM 0 HE ARG A 5 -0.108 -19.106 17.265 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -3.306 -19.107 18.823 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -2.617 -19.033 20.448 1.00 0.00 H new ATOM 0 HH21 ARG A 5 0.734 -19.012 19.301 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -0.320 -18.979 20.719 1.00 0.00 H new ATOM 101 N ILE A 6 -1.453 -22.370 13.082 1.00 0.00 N ATOM 102 CA ILE A 6 -1.469 -23.823 13.166 1.00 0.00 C ATOM 103 C ILE A 6 -0.525 -24.210 14.295 1.00 0.00 C ATOM 104 O ILE A 6 0.504 -23.565 14.499 1.00 0.00 O ATOM 105 CB ILE A 6 -1.118 -24.446 11.788 1.00 0.00 C ATOM 106 CG1 ILE A 6 -2.255 -24.096 10.804 1.00 0.00 C ATOM 107 CG2 ILE A 6 -0.890 -25.968 11.846 1.00 0.00 C ATOM 108 CD1 ILE A 6 -2.136 -24.685 9.402 1.00 0.00 C ATOM 0 H ILE A 6 -0.514 -21.973 13.115 1.00 0.00 H new ATOM 0 HA ILE A 6 -2.457 -24.218 13.400 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.169 -24.026 11.453 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -3.198 -24.430 11.237 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -2.311 -23.011 10.716 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -0.649 -26.338 10.849 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -0.065 -26.187 12.524 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -1.795 -26.458 12.206 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -2.990 -24.371 8.802 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -1.216 -24.332 8.936 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -2.117 -25.773 9.465 1.00 0.00 H new ATOM 120 N ILE A 7 -0.881 -25.267 15.019 1.00 0.00 N ATOM 121 CA ILE A 7 -0.150 -25.790 16.163 1.00 0.00 C ATOM 122 C ILE A 7 -0.014 -27.292 15.892 1.00 0.00 C ATOM 123 O ILE A 7 -0.965 -27.907 15.404 1.00 0.00 O ATOM 124 CB ILE A 7 -0.925 -25.475 17.468 1.00 0.00 C ATOM 125 CG1 ILE A 7 -1.299 -23.980 17.661 1.00 0.00 C ATOM 126 CG2 ILE A 7 -0.142 -25.982 18.691 1.00 0.00 C ATOM 127 CD1 ILE A 7 -0.114 -23.025 17.847 1.00 0.00 C ATOM 0 H ILE A 7 -1.724 -25.804 14.813 1.00 0.00 H new ATOM 0 HA ILE A 7 0.834 -25.340 16.294 1.00 0.00 H new ATOM 0 HB ILE A 7 -1.873 -26.005 17.372 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -1.876 -23.653 16.796 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -1.952 -23.895 18.530 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -0.699 -25.754 19.600 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -0.002 -27.060 18.612 1.00 0.00 H new ATOM 0 HG23 ILE A 7 0.831 -25.492 18.729 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.483 -22.007 17.973 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.454 -23.317 18.730 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.531 -23.071 16.970 1.00 0.00 H new ATOM 139 N VAL A 8 1.155 -27.877 16.162 1.00 0.00 N ATOM 140 CA VAL A 8 1.490 -29.246 15.763 1.00 0.00 C ATOM 141 C VAL A 8 2.193 -29.931 16.938 1.00 0.00 C ATOM 142 O VAL A 8 2.961 -29.281 17.648 1.00 0.00 O ATOM 143 CB VAL A 8 2.390 -29.230 14.501 1.00 0.00 C ATOM 144 CG1 VAL A 8 2.399 -30.601 13.816 1.00 0.00 C ATOM 145 CG2 VAL A 8 1.994 -28.185 13.441 1.00 0.00 C ATOM 0 H VAL A 8 1.905 -27.408 16.670 1.00 0.00 H new ATOM 0 HA VAL A 8 0.586 -29.801 15.511 1.00 0.00 H new ATOM 0 HB VAL A 8 3.376 -28.962 14.881 1.00 0.00 H new ATOM 0 HG11 VAL A 8 3.038 -30.563 12.934 1.00 0.00 H new ATOM 0 HG12 VAL A 8 2.781 -31.351 14.508 1.00 0.00 H new ATOM 0 HG13 VAL A 8 1.384 -30.866 13.518 1.00 0.00 H new ATOM 0 HG21 VAL A 8 2.679 -28.247 12.595 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.977 -28.380 13.100 1.00 0.00 H new ATOM 0 HG23 VAL A 8 2.045 -27.187 13.877 1.00 0.00 H new ATOM 155 N ASP A 9 1.978 -31.233 17.133 1.00 0.00 N ATOM 156 CA ASP A 9 2.590 -32.024 18.200 1.00 0.00 C ATOM 157 C ASP A 9 2.949 -33.416 17.673 1.00 0.00 C ATOM 158 O ASP A 9 2.370 -33.872 16.682 1.00 0.00 O ATOM 159 CB ASP A 9 1.619 -32.147 19.381 1.00 0.00 C ATOM 160 CG ASP A 9 2.237 -32.883 20.584 1.00 0.00 C ATOM 161 OD1 ASP A 9 3.448 -32.715 20.851 1.00 0.00 O ATOM 162 OD2 ASP A 9 1.504 -33.622 21.277 1.00 0.00 O ATOM 0 H ASP A 9 1.357 -31.780 16.537 1.00 0.00 H new ATOM 0 HA ASP A 9 3.498 -31.525 18.538 1.00 0.00 H new ATOM 0 HB2 ASP A 9 1.304 -31.151 19.692 1.00 0.00 H new ATOM 0 HB3 ASP A 9 0.724 -32.678 19.056 1.00 0.00 H new ATOM 167 N GLY A 10 3.905 -34.083 18.321 1.00 0.00 N ATOM 168 CA GLY A 10 4.396 -35.408 17.967 1.00 0.00 C ATOM 169 C GLY A 10 5.907 -35.483 18.159 1.00 0.00 C ATOM 170 O GLY A 10 6.481 -34.718 18.941 1.00 0.00 O ATOM 0 H GLY A 10 4.375 -33.696 19.139 1.00 0.00 H new ATOM 0 HA2 GLY A 10 3.907 -36.161 18.584 1.00 0.00 H new ATOM 0 HA3 GLY A 10 4.143 -35.632 16.931 1.00 0.00 H new ATOM 174 N ARG A 11 6.571 -36.373 17.419 1.00 0.00 N ATOM 175 CA ARG A 11 8.015 -36.300 17.212 1.00 0.00 C ATOM 176 C ARG A 11 8.255 -35.176 16.205 1.00 0.00 C ATOM 177 O ARG A 11 8.370 -35.432 15.007 1.00 0.00 O ATOM 178 CB ARG A 11 8.569 -37.664 16.755 1.00 0.00 C ATOM 179 CG ARG A 11 10.108 -37.655 16.704 1.00 0.00 C ATOM 180 CD ARG A 11 10.697 -39.021 16.329 1.00 0.00 C ATOM 181 NE ARG A 11 10.423 -39.383 14.925 1.00 0.00 N ATOM 182 CZ ARG A 11 9.639 -40.371 14.477 1.00 0.00 C ATOM 183 NH1 ARG A 11 8.927 -41.128 15.310 1.00 0.00 N ATOM 184 NH2 ARG A 11 9.580 -40.582 13.169 1.00 0.00 N ATOM 0 H ARG A 11 6.124 -37.160 16.949 1.00 0.00 H new ATOM 0 HA ARG A 11 8.550 -36.074 18.134 1.00 0.00 H new ATOM 0 HB2 ARG A 11 8.230 -38.443 17.438 1.00 0.00 H new ATOM 0 HB3 ARG A 11 8.172 -37.908 15.770 1.00 0.00 H new ATOM 0 HG2 ARG A 11 10.439 -36.910 15.980 1.00 0.00 H new ATOM 0 HG3 ARG A 11 10.498 -37.350 17.675 1.00 0.00 H new ATOM 0 HD2 ARG A 11 11.774 -39.007 16.495 1.00 0.00 H new ATOM 0 HD3 ARG A 11 10.283 -39.786 16.986 1.00 0.00 H new ATOM 0 HE ARG A 11 10.884 -38.815 14.214 1.00 0.00 H new ATOM 0 HH11 ARG A 11 8.972 -40.961 16.315 1.00 0.00 H new ATOM 0 HH12 ARG A 11 8.337 -41.875 14.943 1.00 0.00 H new ATOM 0 HH21 ARG A 11 10.124 -39.998 12.533 1.00 0.00 H new ATOM 0 HH22 ARG A 11 8.991 -41.328 12.799 1.00 0.00 H new ATOM 198 N VAL A 12 8.240 -33.930 16.677 1.00 0.00 N ATOM 199 CA VAL A 12 8.238 -32.736 15.832 1.00 0.00 C ATOM 200 C VAL A 12 9.271 -31.707 16.322 1.00 0.00 C ATOM 201 O VAL A 12 9.166 -30.525 16.002 1.00 0.00 O ATOM 202 CB VAL A 12 6.802 -32.167 15.717 1.00 0.00 C ATOM 203 CG1 VAL A 12 5.825 -33.179 15.097 1.00 0.00 C ATOM 204 CG2 VAL A 12 6.229 -31.686 17.061 1.00 0.00 C ATOM 0 H VAL A 12 8.229 -33.718 17.675 1.00 0.00 H new ATOM 0 HA VAL A 12 8.550 -33.006 14.823 1.00 0.00 H new ATOM 0 HB VAL A 12 6.900 -31.304 15.058 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.831 -32.735 15.037 1.00 0.00 H new ATOM 0 HG12 VAL A 12 6.164 -33.446 14.096 1.00 0.00 H new ATOM 0 HG13 VAL A 12 5.786 -34.074 15.718 1.00 0.00 H new ATOM 0 HG21 VAL A 12 5.221 -31.300 16.909 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.196 -32.520 17.762 1.00 0.00 H new ATOM 0 HG23 VAL A 12 6.863 -30.897 17.465 1.00 0.00 H new ATOM 214 N GLN A 13 10.263 -32.136 17.114 1.00 0.00 N ATOM 215 CA GLN A 13 11.351 -31.289 17.595 1.00 0.00 C ATOM 216 C GLN A 13 12.662 -32.063 17.492 1.00 0.00 C ATOM 217 O GLN A 13 12.666 -33.285 17.679 1.00 0.00 O ATOM 218 CB GLN A 13 11.131 -30.878 19.060 1.00 0.00 C ATOM 219 CG GLN A 13 9.735 -30.324 19.366 1.00 0.00 C ATOM 220 CD GLN A 13 9.728 -29.491 20.647 1.00 0.00 C ATOM 221 OE1 GLN A 13 10.190 -29.924 21.702 1.00 0.00 O ATOM 222 NE2 GLN A 13 9.225 -28.272 20.578 1.00 0.00 N ATOM 0 H GLN A 13 10.328 -33.100 17.442 1.00 0.00 H new ATOM 0 HA GLN A 13 11.383 -30.387 16.983 1.00 0.00 H new ATOM 0 HB2 GLN A 13 11.311 -31.744 19.697 1.00 0.00 H new ATOM 0 HB3 GLN A 13 11.873 -30.125 19.327 1.00 0.00 H new ATOM 0 HG2 GLN A 13 9.395 -29.711 18.531 1.00 0.00 H new ATOM 0 HG3 GLN A 13 9.029 -31.149 19.464 1.00 0.00 H new ATOM 0 HE21 GLN A 13 8.845 -27.926 19.697 1.00 0.00 H new ATOM 0 HE22 GLN A 13 9.216 -27.676 21.406 1.00 0.00 H new ATOM 231 N GLY A 14 13.769 -31.364 17.254 1.00 0.00 N ATOM 232 CA GLY A 14 15.074 -31.979 17.079 1.00 0.00 C ATOM 233 C GLY A 14 15.114 -32.847 15.819 1.00 0.00 C ATOM 234 O GLY A 14 15.794 -33.876 15.812 1.00 0.00 O ATOM 0 H GLY A 14 13.781 -30.347 17.177 1.00 0.00 H new ATOM 0 HA2 GLY A 14 15.838 -31.204 17.014 1.00 0.00 H new ATOM 0 HA3 GLY A 14 15.311 -32.588 17.951 1.00 0.00 H new ATOM 238 N VAL A 15 14.374 -32.464 14.778 1.00 0.00 N ATOM 239 CA VAL A 15 14.201 -33.232 13.543 1.00 0.00 C ATOM 240 C VAL A 15 14.361 -32.341 12.301 1.00 0.00 C ATOM 241 O VAL A 15 14.449 -32.863 11.186 1.00 0.00 O ATOM 242 CB VAL A 15 12.853 -33.997 13.554 1.00 0.00 C ATOM 243 CG1 VAL A 15 12.896 -35.208 14.500 1.00 0.00 C ATOM 244 CG2 VAL A 15 11.651 -33.116 13.926 1.00 0.00 C ATOM 0 H VAL A 15 13.862 -31.582 14.770 1.00 0.00 H new ATOM 0 HA VAL A 15 14.993 -33.979 13.491 1.00 0.00 H new ATOM 0 HB VAL A 15 12.714 -34.334 12.527 1.00 0.00 H new ATOM 0 HG11 VAL A 15 11.933 -35.719 14.481 1.00 0.00 H new ATOM 0 HG12 VAL A 15 13.678 -35.895 14.176 1.00 0.00 H new ATOM 0 HG13 VAL A 15 13.107 -34.870 15.514 1.00 0.00 H new ATOM 0 HG21 VAL A 15 10.742 -33.717 13.914 1.00 0.00 H new ATOM 0 HG22 VAL A 15 11.799 -32.701 14.923 1.00 0.00 H new ATOM 0 HG23 VAL A 15 11.559 -32.303 13.205 1.00 0.00 H new ATOM 254 N GLY A 16 14.462 -31.022 12.469 1.00 0.00 N ATOM 255 CA GLY A 16 14.584 -30.056 11.397 1.00 0.00 C ATOM 256 C GLY A 16 13.210 -29.501 11.034 1.00 0.00 C ATOM 257 O GLY A 16 13.030 -29.082 9.891 1.00 0.00 O ATOM 0 H GLY A 16 14.460 -30.590 13.393 1.00 0.00 H new ATOM 0 HA2 GLY A 16 15.244 -29.244 11.702 1.00 0.00 H new ATOM 0 HA3 GLY A 16 15.038 -30.525 10.524 1.00 0.00 H new ATOM 261 N PHE A 17 12.227 -29.550 11.938 1.00 0.00 N ATOM 262 CA PHE A 17 10.853 -29.189 11.620 1.00 0.00 C ATOM 263 C PHE A 17 10.772 -27.720 11.206 1.00 0.00 C ATOM 264 O PHE A 17 10.134 -27.408 10.200 1.00 0.00 O ATOM 265 CB PHE A 17 9.904 -29.522 12.781 1.00 0.00 C ATOM 266 CG PHE A 17 8.521 -29.950 12.323 1.00 0.00 C ATOM 267 CD1 PHE A 17 7.587 -28.993 11.884 1.00 0.00 C ATOM 268 CD2 PHE A 17 8.168 -31.314 12.319 1.00 0.00 C ATOM 269 CE1 PHE A 17 6.307 -29.394 11.455 1.00 0.00 C ATOM 270 CE2 PHE A 17 6.890 -31.715 11.889 1.00 0.00 C ATOM 271 CZ PHE A 17 5.958 -30.755 11.458 1.00 0.00 C ATOM 0 H PHE A 17 12.366 -29.841 12.906 1.00 0.00 H new ATOM 0 HA PHE A 17 10.524 -29.788 10.771 1.00 0.00 H new ATOM 0 HB2 PHE A 17 10.342 -30.318 13.382 1.00 0.00 H new ATOM 0 HB3 PHE A 17 9.811 -28.649 13.427 1.00 0.00 H new ATOM 0 HD1 PHE A 17 7.853 -27.946 11.876 1.00 0.00 H new ATOM 0 HD2 PHE A 17 8.882 -32.055 12.648 1.00 0.00 H new ATOM 0 HE1 PHE A 17 5.593 -28.655 11.123 1.00 0.00 H new ATOM 0 HE2 PHE A 17 6.625 -32.762 11.890 1.00 0.00 H new ATOM 0 HZ PHE A 17 4.976 -31.063 11.130 1.00 0.00 H new ATOM 281 N ARG A 18 11.468 -26.816 11.907 1.00 0.00 N ATOM 282 CA ARG A 18 11.546 -25.409 11.499 1.00 0.00 C ATOM 283 C ARG A 18 12.055 -25.266 10.066 1.00 0.00 C ATOM 284 O ARG A 18 11.451 -24.534 9.284 1.00 0.00 O ATOM 285 CB ARG A 18 12.438 -24.637 12.484 1.00 0.00 C ATOM 286 CG ARG A 18 11.646 -24.234 13.736 1.00 0.00 C ATOM 287 CD ARG A 18 12.564 -23.799 14.883 1.00 0.00 C ATOM 288 NE ARG A 18 13.136 -24.950 15.602 1.00 0.00 N ATOM 289 CZ ARG A 18 13.798 -24.891 16.761 1.00 0.00 C ATOM 290 NH1 ARG A 18 14.074 -23.712 17.323 1.00 0.00 N ATOM 291 NH2 ARG A 18 14.166 -26.006 17.371 1.00 0.00 N ATOM 0 H ARG A 18 11.985 -27.034 12.759 1.00 0.00 H new ATOM 0 HA ARG A 18 10.542 -24.985 11.521 1.00 0.00 H new ATOM 0 HB2 ARG A 18 13.290 -25.254 12.770 1.00 0.00 H new ATOM 0 HB3 ARG A 18 12.838 -23.747 11.999 1.00 0.00 H new ATOM 0 HG2 ARG A 18 10.966 -23.419 13.488 1.00 0.00 H new ATOM 0 HG3 ARG A 18 11.032 -25.074 14.062 1.00 0.00 H new ATOM 0 HD2 ARG A 18 13.371 -23.182 14.487 1.00 0.00 H new ATOM 0 HD3 ARG A 18 12.002 -23.179 15.581 1.00 0.00 H new ATOM 0 HE ARG A 18 13.017 -25.871 15.179 1.00 0.00 H new ATOM 0 HH11 ARG A 18 13.779 -22.848 16.867 1.00 0.00 H new ATOM 0 HH12 ARG A 18 14.580 -23.675 18.208 1.00 0.00 H new ATOM 0 HH21 ARG A 18 13.944 -26.911 16.956 1.00 0.00 H new ATOM 0 HH22 ARG A 18 14.671 -25.960 18.256 1.00 0.00 H new ATOM 305 N TYR A 19 13.133 -25.963 9.703 1.00 0.00 N ATOM 306 CA TYR A 19 13.720 -25.862 8.376 1.00 0.00 C ATOM 307 C TYR A 19 12.805 -26.471 7.314 1.00 0.00 C ATOM 308 O TYR A 19 12.634 -25.880 6.249 1.00 0.00 O ATOM 309 CB TYR A 19 15.094 -26.535 8.376 1.00 0.00 C ATOM 310 CG TYR A 19 16.143 -25.742 9.136 1.00 0.00 C ATOM 311 CD1 TYR A 19 16.676 -24.568 8.571 1.00 0.00 C ATOM 312 CD2 TYR A 19 16.565 -26.156 10.415 1.00 0.00 C ATOM 313 CE1 TYR A 19 17.624 -23.805 9.276 1.00 0.00 C ATOM 314 CE2 TYR A 19 17.513 -25.400 11.125 1.00 0.00 C ATOM 315 CZ TYR A 19 18.048 -24.219 10.561 1.00 0.00 C ATOM 316 OH TYR A 19 18.967 -23.494 11.260 1.00 0.00 O ATOM 0 H TYR A 19 13.619 -26.611 10.323 1.00 0.00 H new ATOM 0 HA TYR A 19 13.841 -24.809 8.124 1.00 0.00 H new ATOM 0 HB2 TYR A 19 15.006 -27.528 8.818 1.00 0.00 H new ATOM 0 HB3 TYR A 19 15.425 -26.672 7.347 1.00 0.00 H new ATOM 0 HD1 TYR A 19 16.355 -24.251 7.590 1.00 0.00 H new ATOM 0 HD2 TYR A 19 16.159 -27.057 10.851 1.00 0.00 H new ATOM 0 HE1 TYR A 19 18.028 -22.904 8.837 1.00 0.00 H new ATOM 0 HE2 TYR A 19 17.834 -25.722 12.105 1.00 0.00 H new ATOM 0 HH TYR A 19 19.138 -23.927 12.122 1.00 0.00 H new ATOM 326 N PHE A 20 12.186 -27.619 7.596 1.00 0.00 N ATOM 327 CA PHE A 20 11.221 -28.240 6.700 1.00 0.00 C ATOM 328 C PHE A 20 10.089 -27.259 6.402 1.00 0.00 C ATOM 329 O PHE A 20 9.831 -26.959 5.240 1.00 0.00 O ATOM 330 CB PHE A 20 10.700 -29.547 7.318 1.00 0.00 C ATOM 331 CG PHE A 20 9.530 -30.161 6.573 1.00 0.00 C ATOM 332 CD1 PHE A 20 9.748 -30.905 5.397 1.00 0.00 C ATOM 333 CD2 PHE A 20 8.215 -29.971 7.044 1.00 0.00 C ATOM 334 CE1 PHE A 20 8.658 -31.465 4.706 1.00 0.00 C ATOM 335 CE2 PHE A 20 7.126 -30.513 6.340 1.00 0.00 C ATOM 336 CZ PHE A 20 7.347 -31.270 5.177 1.00 0.00 C ATOM 0 H PHE A 20 12.344 -28.143 8.457 1.00 0.00 H new ATOM 0 HA PHE A 20 11.701 -28.491 5.754 1.00 0.00 H new ATOM 0 HB2 PHE A 20 11.515 -30.270 7.352 1.00 0.00 H new ATOM 0 HB3 PHE A 20 10.400 -29.355 8.348 1.00 0.00 H new ATOM 0 HD1 PHE A 20 10.752 -31.046 5.026 1.00 0.00 H new ATOM 0 HD2 PHE A 20 8.044 -29.407 7.949 1.00 0.00 H new ATOM 0 HE1 PHE A 20 8.828 -32.046 3.812 1.00 0.00 H new ATOM 0 HE2 PHE A 20 6.119 -30.348 6.693 1.00 0.00 H new ATOM 0 HZ PHE A 20 6.512 -31.701 4.646 1.00 0.00 H new ATOM 346 N VAL A 21 9.460 -26.702 7.437 1.00 0.00 N ATOM 347 CA VAL A 21 8.358 -25.765 7.276 1.00 0.00 C ATOM 348 C VAL A 21 8.831 -24.504 6.534 1.00 0.00 C ATOM 349 O VAL A 21 8.116 -24.022 5.660 1.00 0.00 O ATOM 350 CB VAL A 21 7.744 -25.485 8.661 1.00 0.00 C ATOM 351 CG1 VAL A 21 6.650 -24.418 8.618 1.00 0.00 C ATOM 352 CG2 VAL A 21 7.088 -26.750 9.237 1.00 0.00 C ATOM 0 H VAL A 21 9.703 -26.891 8.409 1.00 0.00 H new ATOM 0 HA VAL A 21 7.570 -26.188 6.653 1.00 0.00 H new ATOM 0 HB VAL A 21 8.575 -25.142 9.278 1.00 0.00 H new ATOM 0 HG11 VAL A 21 6.254 -24.262 9.621 1.00 0.00 H new ATOM 0 HG12 VAL A 21 7.068 -23.483 8.244 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.847 -24.746 7.958 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.662 -26.526 10.215 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.298 -27.088 8.566 1.00 0.00 H new ATOM 0 HG23 VAL A 21 7.838 -27.535 9.339 1.00 0.00 H new ATOM 362 N GLN A 22 10.039 -24.000 6.809 1.00 0.00 N ATOM 363 CA GLN A 22 10.623 -22.871 6.091 1.00 0.00 C ATOM 364 C GLN A 22 10.708 -23.161 4.590 1.00 0.00 C ATOM 365 O GLN A 22 10.364 -22.287 3.792 1.00 0.00 O ATOM 366 CB GLN A 22 11.981 -22.531 6.716 1.00 0.00 C ATOM 367 CG GLN A 22 12.735 -21.395 6.017 1.00 0.00 C ATOM 368 CD GLN A 22 12.083 -20.024 6.160 1.00 0.00 C ATOM 369 OE1 GLN A 22 12.377 -19.261 7.075 1.00 0.00 O ATOM 370 NE2 GLN A 22 11.202 -19.669 5.242 1.00 0.00 N ATOM 0 H GLN A 22 10.641 -24.371 7.544 1.00 0.00 H new ATOM 0 HA GLN A 22 9.983 -21.994 6.187 1.00 0.00 H new ATOM 0 HB2 GLN A 22 11.828 -22.260 7.761 1.00 0.00 H new ATOM 0 HB3 GLN A 22 12.605 -23.424 6.706 1.00 0.00 H new ATOM 0 HG2 GLN A 22 13.747 -21.346 6.419 1.00 0.00 H new ATOM 0 HG3 GLN A 22 12.824 -21.633 4.957 1.00 0.00 H new ATOM 0 HE21 GLN A 22 10.966 -20.312 4.486 1.00 0.00 H new ATOM 0 HE22 GLN A 22 10.758 -18.752 5.289 1.00 0.00 H new ATOM 379 N MET A 23 11.148 -24.357 4.196 1.00 0.00 N ATOM 380 CA MET A 23 11.302 -24.693 2.783 1.00 0.00 C ATOM 381 C MET A 23 9.947 -24.988 2.133 1.00 0.00 C ATOM 382 O MET A 23 9.735 -24.617 0.981 1.00 0.00 O ATOM 383 CB MET A 23 12.243 -25.897 2.623 1.00 0.00 C ATOM 384 CG MET A 23 13.689 -25.545 2.997 1.00 0.00 C ATOM 385 SD MET A 23 14.890 -26.891 2.784 1.00 0.00 S ATOM 386 CE MET A 23 14.390 -28.007 4.126 1.00 0.00 C ATOM 0 H MET A 23 11.404 -25.108 4.837 1.00 0.00 H new ATOM 0 HA MET A 23 11.738 -23.832 2.276 1.00 0.00 H new ATOM 0 HB2 MET A 23 11.894 -26.717 3.251 1.00 0.00 H new ATOM 0 HB3 MET A 23 12.210 -26.250 1.592 1.00 0.00 H new ATOM 0 HG2 MET A 23 14.008 -24.696 2.393 1.00 0.00 H new ATOM 0 HG3 MET A 23 13.710 -25.221 4.038 1.00 0.00 H new ATOM 0 HE1 MET A 23 15.079 -28.851 4.173 1.00 0.00 H new ATOM 0 HE2 MET A 23 14.410 -27.469 5.074 1.00 0.00 H new ATOM 0 HE3 MET A 23 13.381 -28.373 3.938 1.00 0.00 H new ATOM 396 N GLU A 24 9.008 -25.613 2.844 1.00 0.00 N ATOM 397 CA GLU A 24 7.676 -25.877 2.317 1.00 0.00 C ATOM 398 C GLU A 24 6.863 -24.583 2.184 1.00 0.00 C ATOM 399 O GLU A 24 6.013 -24.481 1.299 1.00 0.00 O ATOM 400 CB GLU A 24 6.958 -26.904 3.203 1.00 0.00 C ATOM 401 CG GLU A 24 7.559 -28.318 3.107 1.00 0.00 C ATOM 402 CD GLU A 24 7.620 -28.877 1.674 1.00 0.00 C ATOM 403 OE1 GLU A 24 6.693 -28.617 0.876 1.00 0.00 O ATOM 404 OE2 GLU A 24 8.597 -29.582 1.333 1.00 0.00 O ATOM 0 H GLU A 24 9.152 -25.948 3.797 1.00 0.00 H new ATOM 0 HA GLU A 24 7.774 -26.295 1.315 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.998 -26.570 4.240 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.906 -26.944 2.921 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.566 -28.302 3.523 1.00 0.00 H new ATOM 0 HG3 GLU A 24 6.969 -28.995 3.725 1.00 0.00 H new ATOM 411 N ALA A 25 7.146 -23.571 3.010 1.00 0.00 N ATOM 412 CA ALA A 25 6.624 -22.230 2.814 1.00 0.00 C ATOM 413 C ALA A 25 7.274 -21.600 1.583 1.00 0.00 C ATOM 414 O ALA A 25 6.578 -21.034 0.738 1.00 0.00 O ATOM 415 CB ALA A 25 6.911 -21.378 4.051 1.00 0.00 C ATOM 0 H ALA A 25 7.744 -23.666 3.831 1.00 0.00 H new ATOM 0 HA ALA A 25 5.546 -22.281 2.661 1.00 0.00 H new ATOM 0 HB1 ALA A 25 6.518 -20.373 3.900 1.00 0.00 H new ATOM 0 HB2 ALA A 25 6.433 -21.827 4.921 1.00 0.00 H new ATOM 0 HB3 ALA A 25 7.987 -21.326 4.215 1.00 0.00 H new ATOM 421 N ASP A 26 8.604 -21.706 1.474 1.00 0.00 N ATOM 422 CA ASP A 26 9.384 -21.072 0.415 1.00 0.00 C ATOM 423 C ASP A 26 8.951 -21.567 -0.962 1.00 0.00 C ATOM 424 O ASP A 26 8.731 -20.762 -1.868 1.00 0.00 O ATOM 425 CB ASP A 26 10.881 -21.359 0.599 1.00 0.00 C ATOM 426 CG ASP A 26 11.702 -20.620 -0.469 1.00 0.00 C ATOM 427 OD1 ASP A 26 11.863 -19.383 -0.364 1.00 0.00 O ATOM 428 OD2 ASP A 26 12.211 -21.273 -1.407 1.00 0.00 O ATOM 0 H ASP A 26 9.172 -22.243 2.130 1.00 0.00 H new ATOM 0 HA ASP A 26 9.206 -19.999 0.480 1.00 0.00 H new ATOM 0 HB2 ASP A 26 11.199 -21.045 1.593 1.00 0.00 H new ATOM 0 HB3 ASP A 26 11.064 -22.431 0.530 1.00 0.00 H new ATOM 433 N LYS A 27 8.775 -22.886 -1.112 1.00 0.00 N ATOM 434 CA LYS A 27 8.515 -23.494 -2.418 1.00 0.00 C ATOM 435 C LYS A 27 7.232 -22.970 -3.057 1.00 0.00 C ATOM 436 O LYS A 27 7.183 -22.858 -4.284 1.00 0.00 O ATOM 437 CB LYS A 27 8.604 -25.036 -2.352 1.00 0.00 C ATOM 438 CG LYS A 27 7.439 -25.772 -1.662 1.00 0.00 C ATOM 439 CD LYS A 27 6.325 -26.195 -2.637 1.00 0.00 C ATOM 440 CE LYS A 27 5.121 -26.846 -1.934 1.00 0.00 C ATOM 441 NZ LYS A 27 5.385 -28.233 -1.481 1.00 0.00 N ATOM 0 H LYS A 27 8.809 -23.552 -0.341 1.00 0.00 H new ATOM 0 HA LYS A 27 9.310 -23.181 -3.095 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.689 -25.415 -3.370 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.526 -25.301 -1.835 1.00 0.00 H new ATOM 0 HG2 LYS A 27 7.826 -26.657 -1.157 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.014 -25.126 -0.894 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.985 -25.321 -3.192 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.735 -26.895 -3.365 1.00 0.00 H new ATOM 0 HE2 LYS A 27 4.839 -26.238 -1.074 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.270 -26.850 -2.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 4.482 -28.728 -1.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 5.940 -28.734 -2.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 5.918 -28.211 -0.588 1.00 0.00 H new ATOM 455 N ARG A 28 6.226 -22.584 -2.258 1.00 0.00 N ATOM 456 CA ARG A 28 4.956 -22.046 -2.762 1.00 0.00 C ATOM 457 C ARG A 28 4.771 -20.580 -2.347 1.00 0.00 C ATOM 458 O ARG A 28 3.665 -20.053 -2.437 1.00 0.00 O ATOM 459 CB ARG A 28 3.801 -22.990 -2.363 1.00 0.00 C ATOM 460 CG ARG A 28 2.712 -23.088 -3.445 1.00 0.00 C ATOM 461 CD ARG A 28 1.789 -24.286 -3.170 1.00 0.00 C ATOM 462 NE ARG A 28 0.730 -24.426 -4.190 1.00 0.00 N ATOM 463 CZ ARG A 28 0.846 -25.039 -5.378 1.00 0.00 C ATOM 464 NH1 ARG A 28 2.002 -25.567 -5.776 1.00 0.00 N ATOM 465 NH2 ARG A 28 -0.215 -25.115 -6.170 1.00 0.00 N ATOM 0 H ARG A 28 6.272 -22.637 -1.240 1.00 0.00 H new ATOM 0 HA ARG A 28 4.961 -22.018 -3.852 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.202 -23.984 -2.166 1.00 0.00 H new ATOM 0 HB3 ARG A 28 3.353 -22.637 -1.434 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.128 -22.168 -3.466 1.00 0.00 H new ATOM 0 HG3 ARG A 28 3.174 -23.195 -4.426 1.00 0.00 H new ATOM 0 HD2 ARG A 28 2.383 -25.199 -3.139 1.00 0.00 H new ATOM 0 HD3 ARG A 28 1.331 -24.170 -2.188 1.00 0.00 H new ATOM 0 HE ARG A 28 -0.178 -24.017 -3.970 1.00 0.00 H new ATOM 0 HH11 ARG A 28 2.823 -25.510 -5.173 1.00 0.00 H new ATOM 0 HH12 ARG A 28 2.066 -26.028 -6.683 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -1.103 -24.711 -5.873 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -0.143 -25.578 -7.076 1.00 0.00 H new ATOM 479 N LYS A 29 5.867 -19.912 -1.954 1.00 0.00 N ATOM 480 CA LYS A 29 5.957 -18.477 -1.690 1.00 0.00 C ATOM 481 C LYS A 29 4.874 -18.002 -0.715 1.00 0.00 C ATOM 482 O LYS A 29 4.256 -16.951 -0.905 1.00 0.00 O ATOM 483 CB LYS A 29 6.053 -17.676 -3.009 1.00 0.00 C ATOM 484 CG LYS A 29 7.286 -18.033 -3.867 1.00 0.00 C ATOM 485 CD LYS A 29 7.065 -19.189 -4.862 1.00 0.00 C ATOM 486 CE LYS A 29 8.405 -19.708 -5.400 1.00 0.00 C ATOM 487 NZ LYS A 29 8.240 -20.944 -6.208 1.00 0.00 N ATOM 0 H LYS A 29 6.757 -20.387 -1.806 1.00 0.00 H new ATOM 0 HA LYS A 29 6.890 -18.274 -1.165 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.151 -17.851 -3.596 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.080 -16.612 -2.776 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.594 -17.147 -4.423 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.110 -18.295 -3.203 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.527 -20.000 -4.371 1.00 0.00 H new ATOM 0 HD3 LYS A 29 6.443 -18.849 -5.690 1.00 0.00 H new ATOM 0 HE2 LYS A 29 8.874 -18.936 -6.010 1.00 0.00 H new ATOM 0 HE3 LYS A 29 9.078 -19.907 -4.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 9.164 -21.242 -6.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.848 -21.700 -5.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.592 -20.757 -7.000 1.00 0.00 H new ATOM 501 N LEU A 30 4.649 -18.792 0.337 1.00 0.00 N ATOM 502 CA LEU A 30 3.889 -18.385 1.517 1.00 0.00 C ATOM 503 C LEU A 30 4.622 -17.228 2.207 1.00 0.00 C ATOM 504 O LEU A 30 5.815 -17.007 1.975 1.00 0.00 O ATOM 505 CB LEU A 30 3.764 -19.570 2.498 1.00 0.00 C ATOM 506 CG LEU A 30 2.713 -20.650 2.183 1.00 0.00 C ATOM 507 CD1 LEU A 30 1.288 -20.097 2.283 1.00 0.00 C ATOM 508 CD2 LEU A 30 2.898 -21.320 0.823 1.00 0.00 C ATOM 0 H LEU A 30 4.997 -19.749 0.392 1.00 0.00 H new ATOM 0 HA LEU A 30 2.891 -18.067 1.214 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.737 -20.057 2.562 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.544 -19.166 3.486 1.00 0.00 H new ATOM 0 HG LEU A 30 2.868 -21.415 2.944 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.574 -20.888 2.054 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.111 -19.729 3.294 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.164 -19.280 1.573 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.119 -22.068 0.677 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.833 -20.569 0.036 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.875 -21.802 0.785 1.00 0.00 H new ATOM 520 N ALA A 31 3.934 -16.541 3.120 1.00 0.00 N ATOM 521 CA ALA A 31 4.530 -15.586 4.047 1.00 0.00 C ATOM 522 C ALA A 31 3.996 -15.878 5.451 1.00 0.00 C ATOM 523 O ALA A 31 2.951 -16.516 5.565 1.00 0.00 O ATOM 524 CB ALA A 31 4.211 -14.166 3.585 1.00 0.00 C ATOM 0 H ALA A 31 2.925 -16.637 3.236 1.00 0.00 H new ATOM 0 HA ALA A 31 5.616 -15.681 4.070 1.00 0.00 H new ATOM 0 HB1 ALA A 31 4.655 -13.450 4.276 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.619 -14.008 2.587 1.00 0.00 H new ATOM 0 HB3 ALA A 31 3.130 -14.025 3.562 1.00 0.00 H new ATOM 530 N GLY A 32 4.704 -15.484 6.516 1.00 0.00 N ATOM 531 CA GLY A 32 4.349 -15.879 7.878 1.00 0.00 C ATOM 532 C GLY A 32 5.569 -16.170 8.753 1.00 0.00 C ATOM 533 O GLY A 32 6.666 -15.663 8.497 1.00 0.00 O ATOM 0 H GLY A 32 5.530 -14.889 6.457 1.00 0.00 H new ATOM 0 HA2 GLY A 32 3.759 -15.086 8.338 1.00 0.00 H new ATOM 0 HA3 GLY A 32 3.716 -16.766 7.840 1.00 0.00 H new ATOM 537 N TRP A 33 5.400 -17.017 9.770 1.00 0.00 N ATOM 538 CA TRP A 33 6.496 -17.519 10.577 1.00 0.00 C ATOM 539 C TRP A 33 6.292 -18.972 11.009 1.00 0.00 C ATOM 540 O TRP A 33 5.170 -19.486 11.002 1.00 0.00 O ATOM 541 CB TRP A 33 6.749 -16.602 11.790 1.00 0.00 C ATOM 542 CG TRP A 33 5.664 -16.477 12.830 1.00 0.00 C ATOM 543 CD1 TRP A 33 5.109 -17.487 13.544 1.00 0.00 C ATOM 544 CD2 TRP A 33 5.034 -15.259 13.344 1.00 0.00 C ATOM 545 NE1 TRP A 33 4.166 -16.991 14.419 1.00 0.00 N ATOM 546 CE2 TRP A 33 4.094 -15.619 14.357 1.00 0.00 C ATOM 547 CE3 TRP A 33 5.173 -13.880 13.070 1.00 0.00 C ATOM 548 CZ2 TRP A 33 3.335 -14.669 15.056 1.00 0.00 C ATOM 549 CZ3 TRP A 33 4.416 -12.916 13.764 1.00 0.00 C ATOM 550 CH2 TRP A 33 3.498 -13.306 14.756 1.00 0.00 C ATOM 0 H TRP A 33 4.487 -17.373 10.053 1.00 0.00 H new ATOM 0 HA TRP A 33 7.386 -17.508 9.947 1.00 0.00 H new ATOM 0 HB2 TRP A 33 7.651 -16.954 12.291 1.00 0.00 H new ATOM 0 HB3 TRP A 33 6.964 -15.602 11.412 1.00 0.00 H new ATOM 0 HD1 TRP A 33 5.368 -18.530 13.442 1.00 0.00 H new ATOM 0 HE1 TRP A 33 3.594 -17.569 15.035 1.00 0.00 H new ATOM 0 HE3 TRP A 33 5.874 -13.559 12.313 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 2.634 -14.981 15.816 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 4.541 -11.869 13.533 1.00 0.00 H new ATOM 0 HH2 TRP A 33 2.921 -12.561 15.284 1.00 0.00 H new ATOM 561 N VAL A 34 7.373 -19.593 11.489 1.00 0.00 N ATOM 562 CA VAL A 34 7.361 -20.853 12.230 1.00 0.00 C ATOM 563 C VAL A 34 8.237 -20.678 13.471 1.00 0.00 C ATOM 564 O VAL A 34 9.264 -20.000 13.414 1.00 0.00 O ATOM 565 CB VAL A 34 7.820 -22.031 11.336 1.00 0.00 C ATOM 566 CG1 VAL A 34 9.241 -21.868 10.765 1.00 0.00 C ATOM 567 CG2 VAL A 34 7.745 -23.381 12.068 1.00 0.00 C ATOM 0 H VAL A 34 8.313 -19.217 11.367 1.00 0.00 H new ATOM 0 HA VAL A 34 6.348 -21.102 12.545 1.00 0.00 H new ATOM 0 HB VAL A 34 7.116 -22.017 10.504 1.00 0.00 H new ATOM 0 HG11 VAL A 34 9.488 -22.734 10.150 1.00 0.00 H new ATOM 0 HG12 VAL A 34 9.287 -20.965 10.156 1.00 0.00 H new ATOM 0 HG13 VAL A 34 9.956 -21.789 11.584 1.00 0.00 H new ATOM 0 HG21 VAL A 34 8.077 -24.176 11.400 1.00 0.00 H new ATOM 0 HG22 VAL A 34 8.388 -23.354 12.948 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.717 -23.571 12.376 1.00 0.00 H new ATOM 577 N LYS A 35 7.865 -21.327 14.574 1.00 0.00 N ATOM 578 CA LYS A 35 8.694 -21.465 15.765 1.00 0.00 C ATOM 579 C LYS A 35 8.443 -22.839 16.375 1.00 0.00 C ATOM 580 O LYS A 35 7.405 -23.451 16.115 1.00 0.00 O ATOM 581 CB LYS A 35 8.425 -20.316 16.753 1.00 0.00 C ATOM 582 CG LYS A 35 6.986 -20.235 17.292 1.00 0.00 C ATOM 583 CD LYS A 35 6.830 -18.961 18.132 1.00 0.00 C ATOM 584 CE LYS A 35 5.413 -18.829 18.702 1.00 0.00 C ATOM 585 NZ LYS A 35 5.220 -17.531 19.392 1.00 0.00 N ATOM 0 H LYS A 35 6.956 -21.781 14.663 1.00 0.00 H new ATOM 0 HA LYS A 35 9.750 -21.395 15.503 1.00 0.00 H new ATOM 0 HB2 LYS A 35 9.106 -20.418 17.598 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.665 -19.373 16.262 1.00 0.00 H new ATOM 0 HG2 LYS A 35 6.276 -20.228 16.465 1.00 0.00 H new ATOM 0 HG3 LYS A 35 6.762 -21.113 17.898 1.00 0.00 H new ATOM 0 HD2 LYS A 35 7.551 -18.973 18.949 1.00 0.00 H new ATOM 0 HD3 LYS A 35 7.058 -18.090 17.518 1.00 0.00 H new ATOM 0 HE2 LYS A 35 4.686 -18.925 17.896 1.00 0.00 H new ATOM 0 HE3 LYS A 35 5.224 -19.644 19.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 4.251 -17.477 19.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 5.898 -17.451 20.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 5.376 -16.754 18.719 1.00 0.00 H new ATOM 599 N ASN A 36 9.375 -23.320 17.194 1.00 0.00 N ATOM 600 CA ASN A 36 9.265 -24.614 17.863 1.00 0.00 C ATOM 601 C ASN A 36 9.454 -24.356 19.353 1.00 0.00 C ATOM 602 O ASN A 36 10.374 -23.628 19.735 1.00 0.00 O ATOM 603 CB ASN A 36 10.282 -25.611 17.277 1.00 0.00 C ATOM 604 CG ASN A 36 9.759 -27.042 17.271 1.00 0.00 C ATOM 605 OD1 ASN A 36 8.802 -27.356 17.973 1.00 0.00 O ATOM 606 ND2 ASN A 36 10.324 -27.921 16.466 1.00 0.00 N ATOM 0 H ASN A 36 10.235 -22.818 17.414 1.00 0.00 H new ATOM 0 HA ASN A 36 8.291 -25.076 17.705 1.00 0.00 H new ATOM 0 HB2 ASN A 36 10.531 -25.314 16.258 1.00 0.00 H new ATOM 0 HB3 ASN A 36 11.204 -25.567 17.856 1.00 0.00 H new ATOM 0 HD21 ASN A 36 9.966 -28.875 16.421 1.00 0.00 H new ATOM 0 HD22 ASN A 36 11.119 -27.646 15.888 1.00 0.00 H new ATOM 613 N ARG A 37 8.536 -24.848 20.184 1.00 0.00 N ATOM 614 CA ARG A 37 8.205 -24.215 21.464 1.00 0.00 C ATOM 615 C ARG A 37 8.683 -25.068 22.631 1.00 0.00 C ATOM 616 O ARG A 37 8.769 -26.293 22.521 1.00 0.00 O ATOM 617 CB ARG A 37 6.677 -24.044 21.540 1.00 0.00 C ATOM 618 CG ARG A 37 6.072 -23.106 20.481 1.00 0.00 C ATOM 619 CD ARG A 37 4.577 -23.346 20.205 1.00 0.00 C ATOM 620 NE ARG A 37 3.779 -23.741 21.381 1.00 0.00 N ATOM 621 CZ ARG A 37 2.546 -23.314 21.687 1.00 0.00 C ATOM 622 NH1 ARG A 37 1.976 -22.282 21.067 1.00 0.00 N ATOM 623 NH2 ARG A 37 1.862 -23.945 22.635 1.00 0.00 N ATOM 0 H ARG A 37 8.001 -25.695 19.991 1.00 0.00 H new ATOM 0 HA ARG A 37 8.702 -23.247 21.527 1.00 0.00 H new ATOM 0 HB2 ARG A 37 6.212 -25.025 21.442 1.00 0.00 H new ATOM 0 HB3 ARG A 37 6.418 -23.665 22.529 1.00 0.00 H new ATOM 0 HG2 ARG A 37 6.209 -22.074 20.805 1.00 0.00 H new ATOM 0 HG3 ARG A 37 6.625 -23.224 19.549 1.00 0.00 H new ATOM 0 HD2 ARG A 37 4.150 -22.435 19.785 1.00 0.00 H new ATOM 0 HD3 ARG A 37 4.484 -24.122 19.445 1.00 0.00 H new ATOM 0 HE ARG A 37 4.208 -24.405 22.025 1.00 0.00 H new ATOM 0 HH11 ARG A 37 2.480 -21.787 20.331 1.00 0.00 H new ATOM 0 HH12 ARG A 37 1.035 -21.986 21.328 1.00 0.00 H new ATOM 0 HH21 ARG A 37 2.276 -24.742 23.118 1.00 0.00 H new ATOM 0 HH22 ARG A 37 0.922 -23.632 22.880 1.00 0.00 H new ATOM 637 N ASP A 38 8.936 -24.433 23.775 1.00 0.00 N ATOM 638 CA ASP A 38 9.384 -25.120 24.990 1.00 0.00 C ATOM 639 C ASP A 38 8.321 -26.081 25.534 1.00 0.00 C ATOM 640 O ASP A 38 8.655 -27.092 26.151 1.00 0.00 O ATOM 641 CB ASP A 38 9.757 -24.089 26.061 1.00 0.00 C ATOM 642 CG ASP A 38 10.204 -24.767 27.368 1.00 0.00 C ATOM 643 OD1 ASP A 38 11.327 -25.319 27.414 1.00 0.00 O ATOM 644 OD2 ASP A 38 9.457 -24.711 28.370 1.00 0.00 O ATOM 0 H ASP A 38 8.836 -23.424 23.887 1.00 0.00 H new ATOM 0 HA ASP A 38 10.259 -25.716 24.730 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.558 -23.451 25.689 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.901 -23.444 26.259 1.00 0.00 H new ATOM 649 N ASP A 39 7.041 -25.802 25.263 1.00 0.00 N ATOM 650 CA ASP A 39 5.918 -26.672 25.614 1.00 0.00 C ATOM 651 C ASP A 39 5.884 -27.970 24.791 1.00 0.00 C ATOM 652 O ASP A 39 5.082 -28.858 25.088 1.00 0.00 O ATOM 653 CB ASP A 39 4.578 -25.927 25.494 1.00 0.00 C ATOM 654 CG ASP A 39 3.938 -26.026 24.106 1.00 0.00 C ATOM 655 OD1 ASP A 39 4.639 -25.851 23.089 1.00 0.00 O ATOM 656 OD2 ASP A 39 2.701 -26.191 24.021 1.00 0.00 O ATOM 0 H ASP A 39 6.754 -24.948 24.784 1.00 0.00 H new ATOM 0 HA ASP A 39 6.072 -26.958 26.654 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.884 -26.326 26.233 1.00 0.00 H new ATOM 0 HB3 ASP A 39 4.734 -24.876 25.738 1.00 0.00 H new ATOM 661 N GLY A 40 6.740 -28.095 23.771 1.00 0.00 N ATOM 662 CA GLY A 40 6.909 -29.301 22.973 1.00 0.00 C ATOM 663 C GLY A 40 6.255 -29.214 21.593 1.00 0.00 C ATOM 664 O GLY A 40 6.463 -30.115 20.776 1.00 0.00 O ATOM 0 H GLY A 40 7.350 -27.333 23.474 1.00 0.00 H new ATOM 0 HA2 GLY A 40 7.974 -29.500 22.850 1.00 0.00 H new ATOM 0 HA3 GLY A 40 6.487 -30.148 23.514 1.00 0.00 H new ATOM 668 N ARG A 41 5.461 -28.174 21.316 1.00 0.00 N ATOM 669 CA ARG A 41 4.682 -28.077 20.086 1.00 0.00 C ATOM 670 C ARG A 41 5.427 -27.225 19.068 1.00 0.00 C ATOM 671 O ARG A 41 6.254 -26.388 19.430 1.00 0.00 O ATOM 672 CB ARG A 41 3.289 -27.503 20.406 1.00 0.00 C ATOM 673 CG ARG A 41 2.498 -28.439 21.336 1.00 0.00 C ATOM 674 CD ARG A 41 1.091 -27.905 21.621 1.00 0.00 C ATOM 675 NE ARG A 41 0.283 -28.878 22.379 1.00 0.00 N ATOM 676 CZ ARG A 41 0.257 -29.041 23.709 1.00 0.00 C ATOM 677 NH1 ARG A 41 1.000 -28.287 24.515 1.00 0.00 N ATOM 678 NH2 ARG A 41 -0.529 -29.976 24.235 1.00 0.00 N ATOM 0 H ARG A 41 5.343 -27.377 21.942 1.00 0.00 H new ATOM 0 HA ARG A 41 4.546 -29.067 19.650 1.00 0.00 H new ATOM 0 HB2 ARG A 41 3.396 -26.525 20.876 1.00 0.00 H new ATOM 0 HB3 ARG A 41 2.734 -27.353 19.480 1.00 0.00 H new ATOM 0 HG2 ARG A 41 2.426 -29.427 20.881 1.00 0.00 H new ATOM 0 HG3 ARG A 41 3.038 -28.559 22.275 1.00 0.00 H new ATOM 0 HD2 ARG A 41 1.162 -26.974 22.183 1.00 0.00 H new ATOM 0 HD3 ARG A 41 0.592 -27.672 20.680 1.00 0.00 H new ATOM 0 HE ARG A 41 -0.321 -29.493 21.833 1.00 0.00 H new ATOM 0 HH11 ARG A 41 1.606 -27.566 24.124 1.00 0.00 H new ATOM 0 HH12 ARG A 41 0.963 -28.430 25.524 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -1.104 -30.560 23.628 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -0.557 -30.109 25.246 1.00 0.00 H new ATOM 692 N VAL A 42 5.108 -27.390 17.793 1.00 0.00 N ATOM 693 CA VAL A 42 5.471 -26.423 16.765 1.00 0.00 C ATOM 694 C VAL A 42 4.305 -25.440 16.678 1.00 0.00 C ATOM 695 O VAL A 42 3.157 -25.806 16.950 1.00 0.00 O ATOM 696 CB VAL A 42 5.721 -27.103 15.397 1.00 0.00 C ATOM 697 CG1 VAL A 42 6.618 -26.235 14.499 1.00 0.00 C ATOM 698 CG2 VAL A 42 6.360 -28.494 15.499 1.00 0.00 C ATOM 0 H VAL A 42 4.591 -28.196 17.441 1.00 0.00 H new ATOM 0 HA VAL A 42 6.403 -25.920 17.023 1.00 0.00 H new ATOM 0 HB VAL A 42 4.728 -27.218 14.963 1.00 0.00 H new ATOM 0 HG11 VAL A 42 6.775 -26.739 13.546 1.00 0.00 H new ATOM 0 HG12 VAL A 42 6.137 -25.273 14.325 1.00 0.00 H new ATOM 0 HG13 VAL A 42 7.579 -26.077 14.989 1.00 0.00 H new ATOM 0 HG21 VAL A 42 6.503 -28.903 14.499 1.00 0.00 H new ATOM 0 HG22 VAL A 42 7.325 -28.415 16.000 1.00 0.00 H new ATOM 0 HG23 VAL A 42 5.707 -29.153 16.071 1.00 0.00 H new ATOM 708 N GLU A 43 4.585 -24.216 16.245 1.00 0.00 N ATOM 709 CA GLU A 43 3.581 -23.222 15.915 1.00 0.00 C ATOM 710 C GLU A 43 3.965 -22.570 14.591 1.00 0.00 C ATOM 711 O GLU A 43 5.144 -22.351 14.306 1.00 0.00 O ATOM 712 CB GLU A 43 3.470 -22.220 17.070 1.00 0.00 C ATOM 713 CG GLU A 43 2.651 -20.968 16.723 1.00 0.00 C ATOM 714 CD GLU A 43 2.336 -20.092 17.939 1.00 0.00 C ATOM 715 OE1 GLU A 43 2.638 -20.464 19.094 1.00 0.00 O ATOM 716 OE2 GLU A 43 1.743 -19.010 17.738 1.00 0.00 O ATOM 0 H GLU A 43 5.540 -23.884 16.112 1.00 0.00 H new ATOM 0 HA GLU A 43 2.595 -23.670 15.788 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.014 -22.716 17.927 1.00 0.00 H new ATOM 0 HB3 GLU A 43 4.472 -21.916 17.373 1.00 0.00 H new ATOM 0 HG2 GLU A 43 3.199 -20.376 15.990 1.00 0.00 H new ATOM 0 HG3 GLU A 43 1.716 -21.273 16.252 1.00 0.00 H new ATOM 723 N ILE A 44 2.950 -22.252 13.796 1.00 0.00 N ATOM 724 CA ILE A 44 3.040 -21.632 12.488 1.00 0.00 C ATOM 725 C ILE A 44 1.988 -20.525 12.489 1.00 0.00 C ATOM 726 O ILE A 44 0.903 -20.691 13.054 1.00 0.00 O ATOM 727 CB ILE A 44 2.767 -22.690 11.386 1.00 0.00 C ATOM 728 CG1 ILE A 44 3.870 -23.772 11.375 1.00 0.00 C ATOM 729 CG2 ILE A 44 2.611 -22.058 9.985 1.00 0.00 C ATOM 730 CD1 ILE A 44 3.592 -24.928 10.408 1.00 0.00 C ATOM 0 H ILE A 44 1.984 -22.433 14.069 1.00 0.00 H new ATOM 0 HA ILE A 44 4.029 -21.222 12.283 1.00 0.00 H new ATOM 0 HB ILE A 44 1.815 -23.161 11.632 1.00 0.00 H new ATOM 0 HG12 ILE A 44 4.819 -23.307 11.108 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.983 -24.172 12.382 1.00 0.00 H new ATOM 0 HG21 ILE A 44 2.422 -22.842 9.251 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.775 -21.358 9.993 1.00 0.00 H new ATOM 0 HG23 ILE A 44 3.526 -21.528 9.721 1.00 0.00 H new ATOM 0 HD11 ILE A 44 4.410 -25.647 10.456 1.00 0.00 H new ATOM 0 HD12 ILE A 44 2.660 -25.419 10.687 1.00 0.00 H new ATOM 0 HD13 ILE A 44 3.509 -24.541 9.392 1.00 0.00 H new ATOM 742 N LEU A 45 2.278 -19.435 11.793 1.00 0.00 N ATOM 743 CA LEU A 45 1.296 -18.456 11.349 1.00 0.00 C ATOM 744 C LEU A 45 1.633 -18.263 9.880 1.00 0.00 C ATOM 745 O LEU A 45 2.803 -18.050 9.572 1.00 0.00 O ATOM 746 CB LEU A 45 1.433 -17.172 12.185 1.00 0.00 C ATOM 747 CG LEU A 45 0.300 -16.139 12.007 1.00 0.00 C ATOM 748 CD1 LEU A 45 0.469 -15.046 13.067 1.00 0.00 C ATOM 749 CD2 LEU A 45 0.271 -15.464 10.628 1.00 0.00 C ATOM 0 H LEU A 45 3.231 -19.201 11.514 1.00 0.00 H new ATOM 0 HA LEU A 45 0.257 -18.761 11.474 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.486 -17.449 13.238 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.380 -16.694 11.933 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.636 -16.688 12.110 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.324 -14.306 12.956 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.414 -15.491 14.060 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.437 -14.562 12.939 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.555 -14.754 10.588 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.211 -14.938 10.461 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.136 -16.221 9.855 1.00 0.00 H new ATOM 761 N ALA A 46 0.671 -18.387 8.969 1.00 0.00 N ATOM 762 CA ALA A 46 0.926 -18.260 7.541 1.00 0.00 C ATOM 763 C ALA A 46 -0.164 -17.423 6.895 1.00 0.00 C ATOM 764 O ALA A 46 -1.292 -17.372 7.387 1.00 0.00 O ATOM 765 CB ALA A 46 1.005 -19.636 6.882 1.00 0.00 C ATOM 0 H ALA A 46 -0.304 -18.578 9.201 1.00 0.00 H new ATOM 0 HA ALA A 46 1.885 -17.762 7.400 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.196 -19.518 5.815 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.814 -20.210 7.334 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.062 -20.163 7.026 1.00 0.00 H new ATOM 771 N GLU A 47 0.180 -16.788 5.782 1.00 0.00 N ATOM 772 CA GLU A 47 -0.659 -15.888 5.015 1.00 0.00 C ATOM 773 C GLU A 47 -0.387 -16.165 3.540 1.00 0.00 C ATOM 774 O GLU A 47 0.756 -16.456 3.164 1.00 0.00 O ATOM 775 CB GLU A 47 -0.327 -14.426 5.364 1.00 0.00 C ATOM 776 CG GLU A 47 -0.761 -14.097 6.795 1.00 0.00 C ATOM 777 CD GLU A 47 -0.411 -12.692 7.275 1.00 0.00 C ATOM 778 OE1 GLU A 47 0.274 -11.899 6.591 1.00 0.00 O ATOM 779 OE2 GLU A 47 -0.791 -12.379 8.420 1.00 0.00 O ATOM 0 H GLU A 47 1.107 -16.896 5.370 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.713 -16.048 5.244 1.00 0.00 H new ATOM 0 HB2 GLU A 47 0.744 -14.256 5.256 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.828 -13.757 4.664 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -1.840 -14.230 6.870 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.303 -14.819 7.471 1.00 0.00 H new ATOM 786 N GLY A 48 -1.424 -16.090 2.704 1.00 0.00 N ATOM 787 CA GLY A 48 -1.273 -16.419 1.289 1.00 0.00 C ATOM 788 C GLY A 48 -2.605 -16.620 0.575 1.00 0.00 C ATOM 789 O GLY A 48 -3.659 -16.396 1.176 1.00 0.00 O ATOM 0 H GLY A 48 -2.365 -15.808 2.979 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.719 -15.621 0.794 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.677 -17.327 1.195 1.00 0.00 H new ATOM 793 N PRO A 49 -2.582 -17.008 -0.711 1.00 0.00 N ATOM 794 CA PRO A 49 -3.773 -17.461 -1.414 1.00 0.00 C ATOM 795 C PRO A 49 -4.203 -18.828 -0.869 1.00 0.00 C ATOM 796 O PRO A 49 -3.379 -19.604 -0.375 1.00 0.00 O ATOM 797 CB PRO A 49 -3.373 -17.517 -2.891 1.00 0.00 C ATOM 798 CG PRO A 49 -1.876 -17.812 -2.847 1.00 0.00 C ATOM 799 CD PRO A 49 -1.404 -17.126 -1.562 1.00 0.00 C ATOM 0 HA PRO A 49 -4.629 -16.800 -1.279 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -3.919 -18.295 -3.425 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -3.581 -16.575 -3.399 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -1.680 -18.884 -2.823 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -1.364 -17.414 -3.723 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -0.626 -17.710 -1.071 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -0.979 -16.146 -1.777 1.00 0.00 H new ATOM 807 N GLU A 50 -5.498 -19.134 -0.983 1.00 0.00 N ATOM 808 CA GLU A 50 -6.105 -20.306 -0.357 1.00 0.00 C ATOM 809 C GLU A 50 -5.432 -21.601 -0.822 1.00 0.00 C ATOM 810 O GLU A 50 -5.124 -22.451 0.009 1.00 0.00 O ATOM 811 CB GLU A 50 -7.615 -20.305 -0.647 1.00 0.00 C ATOM 812 CG GLU A 50 -8.360 -21.436 0.074 1.00 0.00 C ATOM 813 CD GLU A 50 -9.872 -21.389 -0.211 1.00 0.00 C ATOM 814 OE1 GLU A 50 -10.307 -21.827 -1.300 1.00 0.00 O ATOM 815 OE2 GLU A 50 -10.648 -20.930 0.658 1.00 0.00 O ATOM 0 H GLU A 50 -6.158 -18.569 -1.517 1.00 0.00 H new ATOM 0 HA GLU A 50 -5.956 -20.256 0.722 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -8.038 -19.347 -0.344 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -7.774 -20.398 -1.721 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -7.959 -22.398 -0.245 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -8.189 -21.359 1.148 1.00 0.00 H new ATOM 822 N ASN A 51 -5.149 -21.750 -2.122 1.00 0.00 N ATOM 823 CA ASN A 51 -4.556 -22.983 -2.646 1.00 0.00 C ATOM 824 C ASN A 51 -3.168 -23.241 -2.059 1.00 0.00 C ATOM 825 O ASN A 51 -2.848 -24.373 -1.685 1.00 0.00 O ATOM 826 CB ASN A 51 -4.469 -22.936 -4.178 1.00 0.00 C ATOM 827 CG ASN A 51 -3.702 -24.144 -4.709 1.00 0.00 C ATOM 828 OD1 ASN A 51 -2.498 -24.069 -4.943 1.00 0.00 O ATOM 829 ND2 ASN A 51 -4.357 -25.278 -4.884 1.00 0.00 N ATOM 0 H ASN A 51 -5.321 -21.033 -2.827 1.00 0.00 H new ATOM 0 HA ASN A 51 -5.209 -23.803 -2.347 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -5.472 -22.919 -4.604 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -3.974 -22.017 -4.492 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -3.863 -26.106 -5.217 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -5.356 -25.326 -4.686 1.00 0.00 H new ATOM 836 N ALA A 52 -2.342 -22.196 -1.973 1.00 0.00 N ATOM 837 CA ALA A 52 -0.998 -22.324 -1.430 1.00 0.00 C ATOM 838 C ALA A 52 -1.067 -22.633 0.061 1.00 0.00 C ATOM 839 O ALA A 52 -0.332 -23.494 0.541 1.00 0.00 O ATOM 840 CB ALA A 52 -0.176 -21.058 -1.689 1.00 0.00 C ATOM 0 H ALA A 52 -2.586 -21.252 -2.274 1.00 0.00 H new ATOM 0 HA ALA A 52 -0.497 -23.149 -1.936 1.00 0.00 H new ATOM 0 HB1 ALA A 52 0.824 -21.182 -1.273 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.103 -20.885 -2.763 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -0.663 -20.205 -1.216 1.00 0.00 H new ATOM 846 N LEU A 53 -1.977 -21.970 0.779 1.00 0.00 N ATOM 847 CA LEU A 53 -2.198 -22.197 2.197 1.00 0.00 C ATOM 848 C LEU A 53 -2.638 -23.636 2.442 1.00 0.00 C ATOM 849 O LEU A 53 -2.046 -24.296 3.292 1.00 0.00 O ATOM 850 CB LEU A 53 -3.230 -21.186 2.725 1.00 0.00 C ATOM 851 CG LEU A 53 -2.630 -19.807 3.054 1.00 0.00 C ATOM 852 CD1 LEU A 53 -3.777 -18.831 3.310 1.00 0.00 C ATOM 853 CD2 LEU A 53 -1.730 -19.814 4.297 1.00 0.00 C ATOM 0 H LEU A 53 -2.585 -21.254 0.381 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.266 -22.047 2.742 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.018 -21.062 1.982 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.698 -21.592 3.621 1.00 0.00 H new ATOM 0 HG LEU A 53 -2.013 -19.516 2.204 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.372 -17.847 3.545 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.402 -18.763 2.420 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -4.377 -19.186 4.148 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.341 -18.811 4.470 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.309 -20.134 5.164 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.900 -20.503 4.141 1.00 0.00 H new ATOM 865 N GLN A 54 -3.618 -24.153 1.697 1.00 0.00 N ATOM 866 CA GLN A 54 -4.090 -25.525 1.845 1.00 0.00 C ATOM 867 C GLN A 54 -2.951 -26.512 1.585 1.00 0.00 C ATOM 868 O GLN A 54 -2.726 -27.419 2.389 1.00 0.00 O ATOM 869 CB GLN A 54 -5.256 -25.778 0.877 1.00 0.00 C ATOM 870 CG GLN A 54 -6.566 -25.118 1.329 1.00 0.00 C ATOM 871 CD GLN A 54 -7.698 -25.375 0.330 1.00 0.00 C ATOM 872 OE1 GLN A 54 -7.563 -25.167 -0.873 1.00 0.00 O ATOM 873 NE2 GLN A 54 -8.840 -25.852 0.800 1.00 0.00 N ATOM 0 H GLN A 54 -4.106 -23.627 0.972 1.00 0.00 H new ATOM 0 HA GLN A 54 -4.441 -25.673 2.866 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -4.989 -25.403 -0.111 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -5.412 -26.852 0.778 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -6.849 -25.503 2.309 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -6.414 -24.044 1.440 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -8.948 -26.023 1.800 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -9.612 -26.048 0.162 1.00 0.00 H new ATOM 882 N SER A 55 -2.193 -26.317 0.503 1.00 0.00 N ATOM 883 CA SER A 55 -1.065 -27.182 0.174 1.00 0.00 C ATOM 884 C SER A 55 -0.015 -27.153 1.296 1.00 0.00 C ATOM 885 O SER A 55 0.563 -28.184 1.646 1.00 0.00 O ATOM 886 CB SER A 55 -0.453 -26.736 -1.162 1.00 0.00 C ATOM 887 OG SER A 55 -1.430 -26.664 -2.189 1.00 0.00 O ATOM 0 H SER A 55 -2.345 -25.560 -0.163 1.00 0.00 H new ATOM 0 HA SER A 55 -1.416 -28.209 0.077 1.00 0.00 H new ATOM 0 HB2 SER A 55 0.018 -25.761 -1.039 1.00 0.00 H new ATOM 0 HB3 SER A 55 0.331 -27.434 -1.454 1.00 0.00 H new ATOM 0 HG SER A 55 -1.956 -25.844 -2.083 1.00 0.00 H new ATOM 893 N PHE A 56 0.207 -25.982 1.900 1.00 0.00 N ATOM 894 CA PHE A 56 1.118 -25.841 3.018 1.00 0.00 C ATOM 895 C PHE A 56 0.587 -26.577 4.256 1.00 0.00 C ATOM 896 O PHE A 56 1.394 -27.211 4.934 1.00 0.00 O ATOM 897 CB PHE A 56 1.412 -24.352 3.251 1.00 0.00 C ATOM 898 CG PHE A 56 2.463 -24.025 4.297 1.00 0.00 C ATOM 899 CD1 PHE A 56 3.710 -24.685 4.296 1.00 0.00 C ATOM 900 CD2 PHE A 56 2.229 -22.992 5.227 1.00 0.00 C ATOM 901 CE1 PHE A 56 4.705 -24.313 5.215 1.00 0.00 C ATOM 902 CE2 PHE A 56 3.229 -22.618 6.137 1.00 0.00 C ATOM 903 CZ PHE A 56 4.468 -23.269 6.123 1.00 0.00 C ATOM 0 H PHE A 56 -0.244 -25.111 1.621 1.00 0.00 H new ATOM 0 HA PHE A 56 2.071 -26.319 2.791 1.00 0.00 H new ATOM 0 HB2 PHE A 56 1.726 -23.914 2.304 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.482 -23.861 3.537 1.00 0.00 H new ATOM 0 HD1 PHE A 56 3.900 -25.478 3.587 1.00 0.00 H new ATOM 0 HD2 PHE A 56 1.275 -22.486 5.239 1.00 0.00 H new ATOM 0 HE1 PHE A 56 5.653 -24.830 5.223 1.00 0.00 H new ATOM 0 HE2 PHE A 56 3.043 -21.827 6.849 1.00 0.00 H new ATOM 0 HZ PHE A 56 5.243 -22.968 6.812 1.00 0.00 H new ATOM 913 N VAL A 57 -0.734 -26.608 4.517 1.00 0.00 N ATOM 914 CA VAL A 57 -1.279 -27.471 5.570 1.00 0.00 C ATOM 915 C VAL A 57 -0.895 -28.915 5.260 1.00 0.00 C ATOM 916 O VAL A 57 -0.331 -29.575 6.128 1.00 0.00 O ATOM 917 CB VAL A 57 -2.813 -27.364 5.769 1.00 0.00 C ATOM 918 CG1 VAL A 57 -3.257 -28.177 6.999 1.00 0.00 C ATOM 919 CG2 VAL A 57 -3.303 -25.931 5.984 1.00 0.00 C ATOM 0 H VAL A 57 -1.430 -26.053 4.019 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.845 -27.129 6.510 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.246 -27.751 4.846 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.336 -28.090 7.122 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.991 -29.225 6.858 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.758 -27.793 7.889 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -4.385 -25.932 6.116 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -2.830 -25.514 6.873 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -3.044 -25.324 5.116 1.00 0.00 H new ATOM 929 N GLU A 58 -1.158 -29.392 4.034 1.00 0.00 N ATOM 930 CA GLU A 58 -0.937 -30.789 3.659 1.00 0.00 C ATOM 931 C GLU A 58 0.520 -31.191 3.915 1.00 0.00 C ATOM 932 O GLU A 58 0.786 -32.266 4.455 1.00 0.00 O ATOM 933 CB GLU A 58 -1.318 -31.030 2.187 1.00 0.00 C ATOM 934 CG GLU A 58 -2.814 -30.865 1.882 1.00 0.00 C ATOM 935 CD GLU A 58 -3.663 -32.004 2.472 1.00 0.00 C ATOM 936 OE1 GLU A 58 -3.864 -33.033 1.790 1.00 0.00 O ATOM 937 OE2 GLU A 58 -4.141 -31.880 3.622 1.00 0.00 O ATOM 0 H GLU A 58 -1.530 -28.817 3.278 1.00 0.00 H new ATOM 0 HA GLU A 58 -1.580 -31.413 4.280 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -0.754 -30.339 1.561 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.012 -32.037 1.906 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.161 -29.912 2.283 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -2.960 -30.829 0.802 1.00 0.00 H new ATOM 944 N ALA A 59 1.454 -30.297 3.580 1.00 0.00 N ATOM 945 CA ALA A 59 2.876 -30.495 3.825 1.00 0.00 C ATOM 946 C ALA A 59 3.178 -30.573 5.327 1.00 0.00 C ATOM 947 O ALA A 59 3.880 -31.483 5.773 1.00 0.00 O ATOM 948 CB ALA A 59 3.676 -29.369 3.162 1.00 0.00 C ATOM 0 H ALA A 59 1.237 -29.409 3.127 1.00 0.00 H new ATOM 0 HA ALA A 59 3.175 -31.447 3.386 1.00 0.00 H new ATOM 0 HB1 ALA A 59 4.739 -29.520 3.347 1.00 0.00 H new ATOM 0 HB2 ALA A 59 3.490 -29.375 2.088 1.00 0.00 H new ATOM 0 HB3 ALA A 59 3.368 -28.410 3.578 1.00 0.00 H new ATOM 954 N VAL A 60 2.634 -29.648 6.120 1.00 0.00 N ATOM 955 CA VAL A 60 2.834 -29.599 7.564 1.00 0.00 C ATOM 956 C VAL A 60 2.306 -30.878 8.230 1.00 0.00 C ATOM 957 O VAL A 60 2.948 -31.353 9.167 1.00 0.00 O ATOM 958 CB VAL A 60 2.207 -28.300 8.123 1.00 0.00 C ATOM 959 CG1 VAL A 60 2.116 -28.265 9.657 1.00 0.00 C ATOM 960 CG2 VAL A 60 3.034 -27.078 7.687 1.00 0.00 C ATOM 0 H VAL A 60 2.034 -28.902 5.769 1.00 0.00 H new ATOM 0 HA VAL A 60 3.898 -29.567 7.798 1.00 0.00 H new ATOM 0 HB VAL A 60 1.195 -28.274 7.718 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.666 -27.324 9.973 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.502 -29.096 10.004 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.116 -28.350 10.083 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.581 -26.171 8.087 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.052 -27.173 8.066 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.056 -27.023 6.599 1.00 0.00 H new ATOM 970 N LYS A 61 1.203 -31.480 7.752 1.00 0.00 N ATOM 971 CA LYS A 61 0.710 -32.729 8.349 1.00 0.00 C ATOM 972 C LYS A 61 1.748 -33.844 8.214 1.00 0.00 C ATOM 973 O LYS A 61 1.868 -34.671 9.116 1.00 0.00 O ATOM 974 CB LYS A 61 -0.626 -33.232 7.764 1.00 0.00 C ATOM 975 CG LYS A 61 -1.643 -32.151 7.382 1.00 0.00 C ATOM 976 CD LYS A 61 -3.063 -32.676 7.128 1.00 0.00 C ATOM 977 CE LYS A 61 -3.083 -33.827 6.108 1.00 0.00 C ATOM 978 NZ LYS A 61 -4.394 -33.952 5.431 1.00 0.00 N ATOM 0 H LYS A 61 0.648 -31.130 6.971 1.00 0.00 H new ATOM 0 HA LYS A 61 0.532 -32.483 9.396 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.410 -33.828 6.878 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -1.090 -33.898 8.491 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -1.681 -31.408 8.178 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -1.292 -31.640 6.485 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -3.496 -33.018 8.068 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -3.690 -31.861 6.766 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -2.305 -33.663 5.362 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -2.847 -34.763 6.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -4.566 -34.949 5.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -5.146 -33.616 6.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -4.392 -33.379 4.563 1.00 0.00 H new ATOM 992 N ASN A 62 2.474 -33.891 7.089 1.00 0.00 N ATOM 993 CA ASN A 62 3.506 -34.897 6.871 1.00 0.00 C ATOM 994 C ASN A 62 4.692 -34.648 7.800 1.00 0.00 C ATOM 995 O ASN A 62 5.200 -35.579 8.424 1.00 0.00 O ATOM 996 CB ASN A 62 3.974 -34.903 5.407 1.00 0.00 C ATOM 997 CG ASN A 62 4.829 -36.134 5.117 1.00 0.00 C ATOM 998 OD1 ASN A 62 4.311 -37.170 4.711 1.00 0.00 O ATOM 999 ND2 ASN A 62 6.136 -36.073 5.310 1.00 0.00 N ATOM 0 H ASN A 62 2.360 -33.237 6.315 1.00 0.00 H new ATOM 0 HA ASN A 62 3.077 -35.874 7.095 1.00 0.00 H new ATOM 0 HB2 ASN A 62 3.109 -34.891 4.744 1.00 0.00 H new ATOM 0 HB3 ASN A 62 4.547 -33.999 5.200 1.00 0.00 H new ATOM 0 HD21 ASN A 62 6.718 -36.889 5.121 1.00 0.00 H new ATOM 0 HD22 ASN A 62 6.562 -35.210 5.647 1.00 0.00 H new ATOM 1006 N GLY A 63 5.109 -33.384 7.901 1.00 0.00 N ATOM 1007 CA GLY A 63 6.325 -32.991 8.599 1.00 0.00 C ATOM 1008 C GLY A 63 7.576 -33.462 7.851 1.00 0.00 C ATOM 1009 O GLY A 63 7.486 -34.074 6.780 1.00 0.00 O ATOM 0 H GLY A 63 4.602 -32.598 7.494 1.00 0.00 H new ATOM 0 HA2 GLY A 63 6.350 -31.907 8.707 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.321 -33.411 9.605 1.00 0.00 H new ATOM 1013 N SER A 64 8.748 -33.161 8.409 1.00 0.00 N ATOM 1014 CA SER A 64 10.040 -33.589 7.881 1.00 0.00 C ATOM 1015 C SER A 64 10.129 -35.127 7.792 1.00 0.00 C ATOM 1016 O SER A 64 9.419 -35.819 8.527 1.00 0.00 O ATOM 1017 CB SER A 64 11.178 -33.026 8.753 1.00 0.00 C ATOM 1018 OG SER A 64 10.732 -32.004 9.635 1.00 0.00 O ATOM 0 H SER A 64 8.826 -32.601 9.258 1.00 0.00 H new ATOM 0 HA SER A 64 10.143 -33.196 6.869 1.00 0.00 H new ATOM 0 HB2 SER A 64 11.621 -33.835 9.334 1.00 0.00 H new ATOM 0 HB3 SER A 64 11.963 -32.629 8.109 1.00 0.00 H new ATOM 0 HG SER A 64 11.487 -31.679 10.168 1.00 0.00 H new ATOM 1024 N PRO A 65 11.024 -35.691 6.956 1.00 0.00 N ATOM 1025 CA PRO A 65 11.189 -37.139 6.813 1.00 0.00 C ATOM 1026 C PRO A 65 11.420 -37.885 8.136 1.00 0.00 C ATOM 1027 O PRO A 65 10.923 -38.998 8.316 1.00 0.00 O ATOM 1028 CB PRO A 65 12.377 -37.327 5.863 1.00 0.00 C ATOM 1029 CG PRO A 65 12.367 -36.050 5.025 1.00 0.00 C ATOM 1030 CD PRO A 65 11.882 -34.989 6.011 1.00 0.00 C ATOM 0 HA PRO A 65 10.266 -37.571 6.428 1.00 0.00 H new ATOM 0 HB2 PRO A 65 13.313 -37.442 6.409 1.00 0.00 H new ATOM 0 HB3 PRO A 65 12.259 -38.215 5.243 1.00 0.00 H new ATOM 0 HG2 PRO A 65 13.358 -35.816 4.637 1.00 0.00 H new ATOM 0 HG3 PRO A 65 11.701 -36.137 4.167 1.00 0.00 H new ATOM 0 HD2 PRO A 65 12.721 -34.516 6.521 1.00 0.00 H new ATOM 0 HD3 PRO A 65 11.334 -34.199 5.498 1.00 0.00 H new ATOM 1038 N PHE A 66 12.174 -37.275 9.054 1.00 0.00 N ATOM 1039 CA PHE A 66 12.510 -37.860 10.353 1.00 0.00 C ATOM 1040 C PHE A 66 11.358 -37.737 11.357 1.00 0.00 C ATOM 1041 O PHE A 66 11.312 -38.480 12.340 1.00 0.00 O ATOM 1042 CB PHE A 66 13.758 -37.163 10.915 1.00 0.00 C ATOM 1043 CG PHE A 66 14.951 -37.161 9.975 1.00 0.00 C ATOM 1044 CD1 PHE A 66 15.648 -38.357 9.715 1.00 0.00 C ATOM 1045 CD2 PHE A 66 15.354 -35.968 9.339 1.00 0.00 C ATOM 1046 CE1 PHE A 66 16.736 -38.362 8.824 1.00 0.00 C ATOM 1047 CE2 PHE A 66 16.442 -35.975 8.449 1.00 0.00 C ATOM 1048 CZ PHE A 66 17.134 -37.172 8.190 1.00 0.00 C ATOM 0 H PHE A 66 12.574 -36.347 8.913 1.00 0.00 H new ATOM 0 HA PHE A 66 12.702 -38.922 10.201 1.00 0.00 H new ATOM 0 HB2 PHE A 66 13.504 -36.132 11.162 1.00 0.00 H new ATOM 0 HB3 PHE A 66 14.045 -37.652 11.846 1.00 0.00 H new ATOM 0 HD1 PHE A 66 15.346 -39.273 10.201 1.00 0.00 H new ATOM 0 HD2 PHE A 66 14.825 -35.047 9.536 1.00 0.00 H new ATOM 0 HE1 PHE A 66 17.267 -39.282 8.626 1.00 0.00 H new ATOM 0 HE2 PHE A 66 16.747 -35.060 7.963 1.00 0.00 H new ATOM 0 HZ PHE A 66 17.969 -37.177 7.505 1.00 0.00 H new ATOM 1058 N SER A 67 10.445 -36.794 11.146 1.00 0.00 N ATOM 1059 CA SER A 67 9.411 -36.401 12.085 1.00 0.00 C ATOM 1060 C SER A 67 8.233 -37.380 12.056 1.00 0.00 C ATOM 1061 O SER A 67 8.100 -38.200 11.143 1.00 0.00 O ATOM 1062 CB SER A 67 8.954 -34.986 11.700 1.00 0.00 C ATOM 1063 OG SER A 67 10.096 -34.180 11.462 1.00 0.00 O ATOM 0 H SER A 67 10.408 -36.262 10.276 1.00 0.00 H new ATOM 0 HA SER A 67 9.803 -36.414 13.102 1.00 0.00 H new ATOM 0 HB2 SER A 67 8.327 -35.022 10.809 1.00 0.00 H new ATOM 0 HB3 SER A 67 8.349 -34.556 12.498 1.00 0.00 H new ATOM 0 HG SER A 67 9.812 -33.271 11.230 1.00 0.00 H new ATOM 1069 N LYS A 68 7.342 -37.254 13.039 1.00 0.00 N ATOM 1070 CA LYS A 68 6.027 -37.882 13.043 1.00 0.00 C ATOM 1071 C LYS A 68 5.090 -36.952 13.799 1.00 0.00 C ATOM 1072 O LYS A 68 5.156 -36.876 15.025 1.00 0.00 O ATOM 1073 CB LYS A 68 6.090 -39.282 13.688 1.00 0.00 C ATOM 1074 CG LYS A 68 4.735 -40.014 13.711 1.00 0.00 C ATOM 1075 CD LYS A 68 4.261 -40.457 12.315 1.00 0.00 C ATOM 1076 CE LYS A 68 2.868 -41.103 12.370 1.00 0.00 C ATOM 1077 NZ LYS A 68 1.767 -40.107 12.326 1.00 0.00 N ATOM 0 H LYS A 68 7.522 -36.698 13.875 1.00 0.00 H new ATOM 0 HA LYS A 68 5.662 -38.032 12.027 1.00 0.00 H new ATOM 0 HB2 LYS A 68 6.813 -39.891 13.145 1.00 0.00 H new ATOM 0 HB3 LYS A 68 6.458 -39.186 14.709 1.00 0.00 H new ATOM 0 HG2 LYS A 68 4.813 -40.889 14.356 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.983 -39.359 14.152 1.00 0.00 H new ATOM 0 HD2 LYS A 68 4.237 -39.595 11.648 1.00 0.00 H new ATOM 0 HD3 LYS A 68 4.975 -41.166 11.895 1.00 0.00 H new ATOM 0 HE2 LYS A 68 2.760 -41.794 11.534 1.00 0.00 H new ATOM 0 HE3 LYS A 68 2.782 -41.692 13.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 0.900 -40.531 12.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 2.029 -39.275 12.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 1.600 -39.817 11.341 1.00 0.00 H new ATOM 1091 N VAL A 69 4.233 -36.237 13.078 1.00 0.00 N ATOM 1092 CA VAL A 69 3.112 -35.527 13.681 1.00 0.00 C ATOM 1093 C VAL A 69 2.171 -36.583 14.279 1.00 0.00 C ATOM 1094 O VAL A 69 1.975 -37.645 13.679 1.00 0.00 O ATOM 1095 CB VAL A 69 2.421 -34.660 12.604 1.00 0.00 C ATOM 1096 CG1 VAL A 69 1.202 -33.906 13.154 1.00 0.00 C ATOM 1097 CG2 VAL A 69 3.407 -33.640 12.004 1.00 0.00 C ATOM 0 H VAL A 69 4.295 -36.134 12.065 1.00 0.00 H new ATOM 0 HA VAL A 69 3.432 -34.852 14.474 1.00 0.00 H new ATOM 0 HB VAL A 69 2.080 -35.348 11.831 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.752 -33.312 12.358 1.00 0.00 H new ATOM 0 HG12 VAL A 69 0.471 -34.622 13.530 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.516 -33.248 13.965 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.897 -33.042 11.249 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.780 -32.987 12.793 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.243 -34.168 11.545 1.00 0.00 H new ATOM 1107 N THR A 70 1.563 -36.288 15.426 1.00 0.00 N ATOM 1108 CA THR A 70 0.552 -37.130 16.058 1.00 0.00 C ATOM 1109 C THR A 70 -0.720 -36.327 16.374 1.00 0.00 C ATOM 1110 O THR A 70 -1.785 -36.924 16.542 1.00 0.00 O ATOM 1111 CB THR A 70 1.146 -37.811 17.307 1.00 0.00 C ATOM 1112 OG1 THR A 70 1.582 -36.853 18.251 1.00 0.00 O ATOM 1113 CG2 THR A 70 2.359 -38.683 16.961 1.00 0.00 C ATOM 0 H THR A 70 1.765 -35.438 15.953 1.00 0.00 H new ATOM 0 HA THR A 70 0.253 -37.914 15.363 1.00 0.00 H new ATOM 0 HB THR A 70 0.347 -38.427 17.719 1.00 0.00 H new ATOM 0 HG1 THR A 70 1.953 -37.311 19.034 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.747 -39.144 17.869 1.00 0.00 H new ATOM 0 HG22 THR A 70 2.059 -39.461 16.259 1.00 0.00 H new ATOM 0 HG23 THR A 70 3.134 -38.065 16.509 1.00 0.00 H new ATOM 1121 N ASP A 71 -0.647 -34.989 16.405 1.00 0.00 N ATOM 1122 CA ASP A 71 -1.799 -34.104 16.565 1.00 0.00 C ATOM 1123 C ASP A 71 -1.496 -32.768 15.888 1.00 0.00 C ATOM 1124 O ASP A 71 -0.336 -32.360 15.804 1.00 0.00 O ATOM 1125 CB ASP A 71 -2.107 -33.883 18.053 1.00 0.00 C ATOM 1126 CG ASP A 71 -3.318 -32.956 18.252 1.00 0.00 C ATOM 1127 OD1 ASP A 71 -4.371 -33.191 17.620 1.00 0.00 O ATOM 1128 OD2 ASP A 71 -3.226 -32.007 19.062 1.00 0.00 O ATOM 0 H ASP A 71 0.236 -34.485 16.317 1.00 0.00 H new ATOM 0 HA ASP A 71 -2.673 -34.563 16.102 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -2.301 -34.843 18.531 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -1.235 -33.453 18.545 1.00 0.00 H new ATOM 1133 N ILE A 72 -2.531 -32.089 15.396 1.00 0.00 N ATOM 1134 CA ILE A 72 -2.436 -30.819 14.690 1.00 0.00 C ATOM 1135 C ILE A 72 -3.763 -30.073 14.886 1.00 0.00 C ATOM 1136 O ILE A 72 -4.825 -30.703 14.945 1.00 0.00 O ATOM 1137 CB ILE A 72 -2.056 -31.070 13.204 1.00 0.00 C ATOM 1138 CG1 ILE A 72 -1.889 -29.740 12.437 1.00 0.00 C ATOM 1139 CG2 ILE A 72 -3.026 -32.024 12.472 1.00 0.00 C ATOM 1140 CD1 ILE A 72 -1.223 -29.898 11.064 1.00 0.00 C ATOM 0 H ILE A 72 -3.491 -32.423 15.483 1.00 0.00 H new ATOM 0 HA ILE A 72 -1.643 -30.185 15.087 1.00 0.00 H new ATOM 0 HB ILE A 72 -1.093 -31.581 13.222 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.869 -29.282 12.305 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -1.296 -29.054 13.042 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.700 -32.153 11.440 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -3.033 -32.991 12.974 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -4.031 -31.601 12.484 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.140 -28.922 10.585 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.229 -30.327 11.189 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.827 -30.558 10.441 1.00 0.00 H new ATOM 1152 N SER A 73 -3.708 -28.743 14.977 1.00 0.00 N ATOM 1153 CA SER A 73 -4.854 -27.867 15.206 1.00 0.00 C ATOM 1154 C SER A 73 -4.681 -26.601 14.363 1.00 0.00 C ATOM 1155 O SER A 73 -3.549 -26.210 14.070 1.00 0.00 O ATOM 1156 CB SER A 73 -4.942 -27.507 16.698 1.00 0.00 C ATOM 1157 OG SER A 73 -4.958 -28.660 17.530 1.00 0.00 O ATOM 0 H SER A 73 -2.831 -28.229 14.890 1.00 0.00 H new ATOM 0 HA SER A 73 -5.775 -28.373 14.918 1.00 0.00 H new ATOM 0 HB2 SER A 73 -4.094 -26.878 16.969 1.00 0.00 H new ATOM 0 HB3 SER A 73 -5.843 -26.921 16.876 1.00 0.00 H new ATOM 0 HG SER A 73 -5.013 -28.385 18.469 1.00 0.00 H new ATOM 1163 N VAL A 74 -5.791 -25.965 13.977 1.00 0.00 N ATOM 1164 CA VAL A 74 -5.829 -24.867 13.011 1.00 0.00 C ATOM 1165 C VAL A 74 -6.861 -23.837 13.491 1.00 0.00 C ATOM 1166 O VAL A 74 -7.921 -24.215 14.001 1.00 0.00 O ATOM 1167 CB VAL A 74 -6.209 -25.424 11.610 1.00 0.00 C ATOM 1168 CG1 VAL A 74 -6.176 -24.338 10.520 1.00 0.00 C ATOM 1169 CG2 VAL A 74 -5.330 -26.608 11.163 1.00 0.00 C ATOM 0 H VAL A 74 -6.713 -26.208 14.339 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.853 -24.387 12.932 1.00 0.00 H new ATOM 0 HB VAL A 74 -7.231 -25.785 11.729 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -6.449 -24.777 9.560 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -6.884 -23.548 10.772 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.172 -23.918 10.455 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -5.650 -26.947 10.178 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -4.288 -26.291 11.117 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -5.429 -27.425 11.878 1.00 0.00 H new ATOM 1179 N THR A 75 -6.582 -22.552 13.270 1.00 0.00 N ATOM 1180 CA THR A 75 -7.546 -21.452 13.343 1.00 0.00 C ATOM 1181 C THR A 75 -7.228 -20.528 12.161 1.00 0.00 C ATOM 1182 O THR A 75 -6.074 -20.467 11.734 1.00 0.00 O ATOM 1183 CB THR A 75 -7.426 -20.701 14.688 1.00 0.00 C ATOM 1184 OG1 THR A 75 -7.115 -21.565 15.771 1.00 0.00 O ATOM 1185 CG2 THR A 75 -8.717 -19.957 15.047 1.00 0.00 C ATOM 0 H THR A 75 -5.643 -22.236 13.026 1.00 0.00 H new ATOM 0 HA THR A 75 -8.571 -21.819 13.289 1.00 0.00 H new ATOM 0 HB THR A 75 -6.611 -19.993 14.541 1.00 0.00 H new ATOM 0 HG1 THR A 75 -7.049 -21.043 16.598 1.00 0.00 H new ATOM 0 HG21 THR A 75 -8.588 -19.443 16.000 1.00 0.00 H new ATOM 0 HG22 THR A 75 -8.945 -19.228 14.269 1.00 0.00 H new ATOM 0 HG23 THR A 75 -9.537 -20.670 15.128 1.00 0.00 H new ATOM 1193 N GLU A 76 -8.210 -19.810 11.612 1.00 0.00 N ATOM 1194 CA GLU A 76 -8.049 -19.061 10.364 1.00 0.00 C ATOM 1195 C GLU A 76 -8.828 -17.744 10.388 1.00 0.00 C ATOM 1196 O GLU A 76 -9.764 -17.582 11.178 1.00 0.00 O ATOM 1197 CB GLU A 76 -8.434 -19.947 9.163 1.00 0.00 C ATOM 1198 CG GLU A 76 -9.930 -20.293 9.101 1.00 0.00 C ATOM 1199 CD GLU A 76 -10.242 -21.250 7.937 1.00 0.00 C ATOM 1200 OE1 GLU A 76 -10.202 -22.486 8.131 1.00 0.00 O ATOM 1201 OE2 GLU A 76 -10.560 -20.777 6.822 1.00 0.00 O ATOM 0 H GLU A 76 -9.141 -19.731 12.021 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.999 -18.788 10.257 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -8.150 -19.438 8.242 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -7.858 -20.872 9.206 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -10.238 -20.750 10.041 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -10.511 -19.378 8.986 1.00 0.00 H new ATOM 1208 N SER A 77 -8.442 -16.826 9.497 1.00 0.00 N ATOM 1209 CA SER A 77 -8.982 -15.477 9.372 1.00 0.00 C ATOM 1210 C SER A 77 -8.906 -15.047 7.906 1.00 0.00 C ATOM 1211 O SER A 77 -7.980 -15.433 7.185 1.00 0.00 O ATOM 1212 CB SER A 77 -8.142 -14.500 10.215 1.00 0.00 C ATOM 1213 OG SER A 77 -8.101 -14.872 11.585 1.00 0.00 O ATOM 0 H SER A 77 -7.710 -17.016 8.813 1.00 0.00 H new ATOM 0 HA SER A 77 -10.015 -15.467 9.720 1.00 0.00 H new ATOM 0 HB2 SER A 77 -7.127 -14.462 9.820 1.00 0.00 H new ATOM 0 HB3 SER A 77 -8.557 -13.496 10.125 1.00 0.00 H new ATOM 0 HG SER A 77 -7.557 -14.227 12.083 1.00 0.00 H new ATOM 1219 N ARG A 78 -9.851 -14.209 7.460 1.00 0.00 N ATOM 1220 CA ARG A 78 -9.690 -13.496 6.192 1.00 0.00 C ATOM 1221 C ARG A 78 -8.626 -12.413 6.384 1.00 0.00 C ATOM 1222 O ARG A 78 -7.703 -12.309 5.578 1.00 0.00 O ATOM 1223 CB ARG A 78 -11.040 -12.909 5.721 1.00 0.00 C ATOM 1224 CG ARG A 78 -11.265 -12.973 4.201 1.00 0.00 C ATOM 1225 CD ARG A 78 -10.168 -12.299 3.373 1.00 0.00 C ATOM 1226 NE ARG A 78 -10.067 -10.849 3.621 1.00 0.00 N ATOM 1227 CZ ARG A 78 -8.980 -10.097 3.392 1.00 0.00 C ATOM 1228 NH1 ARG A 78 -7.849 -10.645 2.949 1.00 0.00 N ATOM 1229 NH2 ARG A 78 -9.034 -8.786 3.606 1.00 0.00 N ATOM 0 H ARG A 78 -10.722 -14.012 7.952 1.00 0.00 H new ATOM 0 HA ARG A 78 -9.362 -14.180 5.409 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -11.849 -13.445 6.219 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -11.102 -11.869 6.042 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -11.341 -14.018 3.900 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -12.221 -12.504 3.967 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -9.210 -12.768 3.599 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -10.364 -12.468 2.314 1.00 0.00 H new ATOM 0 HE ARG A 78 -10.891 -10.380 3.997 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -7.801 -11.650 2.779 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -7.031 -10.060 2.780 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -9.897 -8.359 3.942 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -8.212 -8.207 3.434 1.00 0.00 H new ATOM 1243 N SER A 79 -8.749 -11.635 7.463 1.00 0.00 N ATOM 1244 CA SER A 79 -7.816 -10.595 7.854 1.00 0.00 C ATOM 1245 C SER A 79 -6.419 -11.190 8.024 1.00 0.00 C ATOM 1246 O SER A 79 -6.267 -12.329 8.468 1.00 0.00 O ATOM 1247 CB SER A 79 -8.308 -9.956 9.160 1.00 0.00 C ATOM 1248 OG SER A 79 -9.697 -9.657 9.080 1.00 0.00 O ATOM 0 H SER A 79 -9.535 -11.722 8.108 1.00 0.00 H new ATOM 0 HA SER A 79 -7.761 -9.827 7.083 1.00 0.00 H new ATOM 0 HB2 SER A 79 -8.124 -10.633 9.994 1.00 0.00 H new ATOM 0 HB3 SER A 79 -7.745 -9.044 9.359 1.00 0.00 H new ATOM 0 HG SER A 79 -9.993 -9.252 9.922 1.00 0.00 H new ATOM 1254 N LEU A 80 -5.405 -10.404 7.672 1.00 0.00 N ATOM 1255 CA LEU A 80 -4.006 -10.812 7.625 1.00 0.00 C ATOM 1256 C LEU A 80 -3.119 -9.596 7.894 1.00 0.00 C ATOM 1257 O LEU A 80 -3.550 -8.460 7.679 1.00 0.00 O ATOM 1258 CB LEU A 80 -3.717 -11.496 6.275 1.00 0.00 C ATOM 1259 CG LEU A 80 -3.923 -10.653 4.997 1.00 0.00 C ATOM 1260 CD1 LEU A 80 -2.676 -9.858 4.596 1.00 0.00 C ATOM 1261 CD2 LEU A 80 -4.280 -11.597 3.846 1.00 0.00 C ATOM 0 H LEU A 80 -5.541 -9.430 7.402 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.783 -11.545 8.401 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.684 -11.844 6.287 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.350 -12.380 6.202 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.718 -9.937 5.204 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.884 -9.287 3.691 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.405 -9.176 5.402 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.851 -10.545 4.409 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.429 -11.019 2.934 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.469 -12.310 3.695 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.196 -12.136 4.088 1.00 0.00 H new ATOM 1273 N GLU A 81 -1.900 -9.820 8.386 1.00 0.00 N ATOM 1274 CA GLU A 81 -0.989 -8.749 8.776 1.00 0.00 C ATOM 1275 C GLU A 81 -0.263 -8.179 7.552 1.00 0.00 C ATOM 1276 O GLU A 81 0.029 -6.982 7.513 1.00 0.00 O ATOM 1277 CB GLU A 81 0.048 -9.235 9.807 1.00 0.00 C ATOM 1278 CG GLU A 81 -0.488 -10.046 10.999 1.00 0.00 C ATOM 1279 CD GLU A 81 -1.794 -9.504 11.607 1.00 0.00 C ATOM 1280 OE1 GLU A 81 -1.830 -8.334 12.053 1.00 0.00 O ATOM 1281 OE2 GLU A 81 -2.782 -10.271 11.683 1.00 0.00 O ATOM 0 H GLU A 81 -1.517 -10.755 8.525 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.593 -7.966 9.235 1.00 0.00 H new ATOM 0 HB2 GLU A 81 0.786 -9.845 9.285 1.00 0.00 H new ATOM 0 HB3 GLU A 81 0.573 -8.363 10.198 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -0.652 -11.075 10.678 1.00 0.00 H new ATOM 0 HG3 GLU A 81 0.276 -10.073 11.776 1.00 0.00 H new ATOM 1288 N GLY A 82 0.014 -9.021 6.552 1.00 0.00 N ATOM 1289 CA GLY A 82 0.710 -8.641 5.330 1.00 0.00 C ATOM 1290 C GLY A 82 2.191 -8.996 5.415 1.00 0.00 C ATOM 1291 O GLY A 82 3.040 -8.177 5.048 1.00 0.00 O ATOM 0 H GLY A 82 -0.247 -10.007 6.575 1.00 0.00 H new ATOM 0 HA2 GLY A 82 0.259 -9.148 4.477 1.00 0.00 H new ATOM 0 HA3 GLY A 82 0.598 -7.570 5.161 1.00 0.00 H new ATOM 1295 N HIS A 83 2.518 -10.180 5.944 1.00 0.00 N ATOM 1296 CA HIS A 83 3.889 -10.665 6.031 1.00 0.00 C ATOM 1297 C HIS A 83 4.538 -10.615 4.641 1.00 0.00 C ATOM 1298 O HIS A 83 3.912 -10.981 3.643 1.00 0.00 O ATOM 1299 CB HIS A 83 3.903 -12.091 6.598 1.00 0.00 C ATOM 1300 CG HIS A 83 3.552 -12.184 8.063 1.00 0.00 C ATOM 1301 ND1 HIS A 83 2.294 -12.101 8.610 1.00 0.00 N ATOM 1302 CD2 HIS A 83 4.420 -12.432 9.093 1.00 0.00 C ATOM 1303 CE1 HIS A 83 2.394 -12.299 9.932 1.00 0.00 C ATOM 1304 NE2 HIS A 83 3.678 -12.502 10.279 1.00 0.00 N ATOM 0 H HIS A 83 1.830 -10.829 6.325 1.00 0.00 H new ATOM 0 HA HIS A 83 4.464 -10.029 6.704 1.00 0.00 H new ATOM 0 HB2 HIS A 83 3.202 -12.702 6.030 1.00 0.00 H new ATOM 0 HB3 HIS A 83 4.894 -12.519 6.447 1.00 0.00 H new ATOM 0 HD2 HIS A 83 5.490 -12.553 9.006 1.00 0.00 H new ATOM 0 HE1 HIS A 83 1.562 -12.296 10.621 1.00 0.00 H new ATOM 0 HE2 HIS A 83 4.039 -12.673 11.218 1.00 0.00 H new ATOM 1312 N HIS A 84 5.790 -10.151 4.572 1.00 0.00 N ATOM 1313 CA HIS A 84 6.502 -9.960 3.306 1.00 0.00 C ATOM 1314 C HIS A 84 7.271 -11.222 2.878 1.00 0.00 C ATOM 1315 O HIS A 84 7.591 -11.375 1.698 1.00 0.00 O ATOM 1316 CB HIS A 84 7.462 -8.766 3.431 1.00 0.00 C ATOM 1317 CG HIS A 84 6.812 -7.403 3.565 1.00 0.00 C ATOM 1318 ND1 HIS A 84 5.525 -7.102 3.971 1.00 0.00 N ATOM 1319 CD2 HIS A 84 7.426 -6.208 3.295 1.00 0.00 C ATOM 1320 CE1 HIS A 84 5.376 -5.768 3.944 1.00 0.00 C ATOM 1321 NE2 HIS A 84 6.511 -5.172 3.536 1.00 0.00 N ATOM 0 H HIS A 84 6.338 -9.897 5.394 1.00 0.00 H new ATOM 0 HA HIS A 84 5.762 -9.758 2.532 1.00 0.00 H new ATOM 0 HB2 HIS A 84 8.102 -8.929 4.299 1.00 0.00 H new ATOM 0 HB3 HIS A 84 8.110 -8.753 2.555 1.00 0.00 H new ATOM 0 HD1 HIS A 84 4.811 -7.778 4.244 1.00 0.00 H new ATOM 0 HD2 HIS A 84 8.443 -6.084 2.954 1.00 0.00 H new ATOM 0 HE1 HIS A 84 4.470 -5.245 4.213 1.00 0.00 H new ATOM 1329 N ARG A 85 7.568 -12.132 3.815 1.00 0.00 N ATOM 1330 CA ARG A 85 8.245 -13.412 3.585 1.00 0.00 C ATOM 1331 C ARG A 85 7.801 -14.392 4.669 1.00 0.00 C ATOM 1332 O ARG A 85 7.015 -14.014 5.542 1.00 0.00 O ATOM 1333 CB ARG A 85 9.779 -13.230 3.577 1.00 0.00 C ATOM 1334 CG ARG A 85 10.356 -12.597 4.859 1.00 0.00 C ATOM 1335 CD ARG A 85 11.857 -12.880 5.005 1.00 0.00 C ATOM 1336 NE ARG A 85 12.093 -14.288 5.376 1.00 0.00 N ATOM 1337 CZ ARG A 85 13.138 -15.049 5.040 1.00 0.00 C ATOM 1338 NH1 ARG A 85 14.172 -14.540 4.373 1.00 0.00 N ATOM 1339 NH2 ARG A 85 13.132 -16.332 5.381 1.00 0.00 N ATOM 0 H ARG A 85 7.332 -11.988 4.797 1.00 0.00 H new ATOM 0 HA ARG A 85 7.972 -13.808 2.607 1.00 0.00 H new ATOM 0 HB2 ARG A 85 10.247 -14.203 3.426 1.00 0.00 H new ATOM 0 HB3 ARG A 85 10.054 -12.608 2.725 1.00 0.00 H new ATOM 0 HG2 ARG A 85 10.189 -11.520 4.840 1.00 0.00 H new ATOM 0 HG3 ARG A 85 9.826 -12.987 5.728 1.00 0.00 H new ATOM 0 HD2 ARG A 85 12.366 -12.656 4.068 1.00 0.00 H new ATOM 0 HD3 ARG A 85 12.283 -12.223 5.764 1.00 0.00 H new ATOM 0 HE ARG A 85 11.378 -14.730 5.954 1.00 0.00 H new ATOM 0 HH11 ARG A 85 14.174 -13.554 4.111 1.00 0.00 H new ATOM 0 HH12 ARG A 85 14.962 -15.136 4.125 1.00 0.00 H new ATOM 0 HH21 ARG A 85 12.338 -16.721 5.891 1.00 0.00 H new ATOM 0 HH22 ARG A 85 13.921 -16.929 5.133 1.00 0.00 H new ATOM 1353 N PHE A 86 8.283 -15.635 4.633 1.00 0.00 N ATOM 1354 CA PHE A 86 8.055 -16.606 5.696 1.00 0.00 C ATOM 1355 C PHE A 86 9.366 -16.795 6.449 1.00 0.00 C ATOM 1356 O PHE A 86 10.405 -16.943 5.797 1.00 0.00 O ATOM 1357 CB PHE A 86 7.540 -17.928 5.118 1.00 0.00 C ATOM 1358 CG PHE A 86 7.026 -18.881 6.180 1.00 0.00 C ATOM 1359 CD1 PHE A 86 7.915 -19.738 6.854 1.00 0.00 C ATOM 1360 CD2 PHE A 86 5.653 -18.922 6.490 1.00 0.00 C ATOM 1361 CE1 PHE A 86 7.432 -20.633 7.821 1.00 0.00 C ATOM 1362 CE2 PHE A 86 5.176 -19.791 7.483 1.00 0.00 C ATOM 1363 CZ PHE A 86 6.065 -20.653 8.143 1.00 0.00 C ATOM 0 H PHE A 86 8.844 -15.995 3.861 1.00 0.00 H new ATOM 0 HA PHE A 86 7.290 -16.246 6.384 1.00 0.00 H new ATOM 0 HB2 PHE A 86 6.740 -17.720 4.407 1.00 0.00 H new ATOM 0 HB3 PHE A 86 8.343 -18.412 4.562 1.00 0.00 H new ATOM 0 HD1 PHE A 86 8.970 -19.707 6.627 1.00 0.00 H new ATOM 0 HD2 PHE A 86 4.963 -18.281 5.961 1.00 0.00 H new ATOM 0 HE1 PHE A 86 8.113 -21.308 8.319 1.00 0.00 H new ATOM 0 HE2 PHE A 86 4.127 -19.796 7.739 1.00 0.00 H new ATOM 0 HZ PHE A 86 5.698 -21.332 8.899 1.00 0.00 H new ATOM 1373 N SER A 87 9.341 -16.815 7.783 1.00 0.00 N ATOM 1374 CA SER A 87 10.571 -16.774 8.576 1.00 0.00 C ATOM 1375 C SER A 87 10.544 -17.732 9.769 1.00 0.00 C ATOM 1376 O SER A 87 9.527 -17.885 10.445 1.00 0.00 O ATOM 1377 CB SER A 87 10.788 -15.335 9.056 1.00 0.00 C ATOM 1378 OG SER A 87 10.772 -14.435 7.957 1.00 0.00 O ATOM 0 H SER A 87 8.485 -16.859 8.336 1.00 0.00 H new ATOM 0 HA SER A 87 11.395 -17.102 7.942 1.00 0.00 H new ATOM 0 HB2 SER A 87 10.009 -15.062 9.768 1.00 0.00 H new ATOM 0 HB3 SER A 87 11.740 -15.260 9.581 1.00 0.00 H new ATOM 0 HG SER A 87 10.910 -13.521 8.281 1.00 0.00 H new ATOM 1384 N ILE A 88 11.682 -18.348 10.078 1.00 0.00 N ATOM 1385 CA ILE A 88 11.875 -19.041 11.349 1.00 0.00 C ATOM 1386 C ILE A 88 12.047 -17.949 12.416 1.00 0.00 C ATOM 1387 O ILE A 88 12.739 -16.952 12.182 1.00 0.00 O ATOM 1388 CB ILE A 88 13.090 -19.995 11.249 1.00 0.00 C ATOM 1389 CG1 ILE A 88 12.842 -21.096 10.188 1.00 0.00 C ATOM 1390 CG2 ILE A 88 13.394 -20.661 12.604 1.00 0.00 C ATOM 1391 CD1 ILE A 88 14.131 -21.697 9.619 1.00 0.00 C ATOM 0 H ILE A 88 12.492 -18.381 9.459 1.00 0.00 H new ATOM 0 HA ILE A 88 11.027 -19.672 11.616 1.00 0.00 H new ATOM 0 HB ILE A 88 13.947 -19.391 10.952 1.00 0.00 H new ATOM 0 HG12 ILE A 88 12.245 -21.892 10.634 1.00 0.00 H new ATOM 0 HG13 ILE A 88 12.254 -20.677 9.371 1.00 0.00 H new ATOM 0 HG21 ILE A 88 14.252 -21.324 12.499 1.00 0.00 H new ATOM 0 HG22 ILE A 88 13.617 -19.893 13.345 1.00 0.00 H new ATOM 0 HG23 ILE A 88 12.528 -21.237 12.929 1.00 0.00 H new ATOM 0 HD11 ILE A 88 13.882 -22.461 8.882 1.00 0.00 H new ATOM 0 HD12 ILE A 88 14.719 -20.912 9.143 1.00 0.00 H new ATOM 0 HD13 ILE A 88 14.710 -22.146 10.426 1.00 0.00 H new ATOM 1403 N VAL A 89 11.432 -18.134 13.582 1.00 0.00 N ATOM 1404 CA VAL A 89 11.534 -17.246 14.734 1.00 0.00 C ATOM 1405 C VAL A 89 11.591 -18.116 16.004 1.00 0.00 C ATOM 1406 O VAL A 89 11.426 -19.338 15.931 1.00 0.00 O ATOM 1407 CB VAL A 89 10.391 -16.199 14.662 1.00 0.00 C ATOM 1408 CG1 VAL A 89 9.001 -16.759 14.993 1.00 0.00 C ATOM 1409 CG2 VAL A 89 10.660 -14.960 15.529 1.00 0.00 C ATOM 0 H VAL A 89 10.827 -18.937 13.755 1.00 0.00 H new ATOM 0 HA VAL A 89 12.448 -16.653 14.748 1.00 0.00 H new ATOM 0 HB VAL A 89 10.383 -15.903 13.613 1.00 0.00 H new ATOM 0 HG11 VAL A 89 8.261 -15.962 14.919 1.00 0.00 H new ATOM 0 HG12 VAL A 89 8.751 -17.553 14.289 1.00 0.00 H new ATOM 0 HG13 VAL A 89 9.002 -17.160 16.006 1.00 0.00 H new ATOM 0 HG21 VAL A 89 9.826 -14.264 15.438 1.00 0.00 H new ATOM 0 HG22 VAL A 89 10.769 -15.262 16.571 1.00 0.00 H new ATOM 0 HG23 VAL A 89 11.577 -14.474 15.195 1.00 0.00 H new