USER MOD reduce.3.24.130724 H: found=0, std=0, add=543, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 542 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 20 LYS NZ :NH3+ 174:sc= 1.18 (180deg=-0.218) USER MOD Set 1.2: A 24 ASN : amide:sc= 1.13 K(o=2.3,f=-12!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot -2:sc= 0.313 USER MOD Single : A 7 TYR OH : rot 180:sc= -0.0765 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 CYS SG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0231 USER MOD Single : A 16 ASN : amide:sc= 0 K(o=0,f=-0.99) USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -170:sc= 1.22 (180deg=1.07) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= 0.898 K(o=0.9,f=0) USER MOD Single : A 41 SER OG : rot 18:sc= 1.04 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 56 GLN : amide:sc= -0.382 K(o=-0.38,f=-5.3!) USER MOD Single : A 62 HIS : no HE2:sc= 0.14 K(o=0.14,f=-2.6!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0471) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.581 -7.310 -11.193 1.00 6.86 N ATOM 2 CA MET A 1 -14.319 -8.484 -10.696 1.00 5.49 C ATOM 3 C MET A 1 -13.424 -9.328 -9.790 1.00 4.28 C ATOM 4 O MET A 1 -13.675 -9.334 -8.594 1.00 4.57 O ATOM 5 CB MET A 1 -14.951 -9.296 -11.837 1.00 6.42 C ATOM 6 CG MET A 1 -16.355 -8.769 -12.176 1.00 7.28 C ATOM 7 SD MET A 1 -17.184 -9.635 -13.529 1.00 8.79 S ATOM 8 CE MET A 1 -18.816 -8.863 -13.440 1.00 9.62 C ATOM 0 H1 MET A 1 -14.201 -6.745 -11.808 1.00 6.86 H new ATOM 0 H2 MET A 1 -13.269 -6.730 -10.388 1.00 6.86 H new ATOM 0 H3 MET A 1 -12.751 -7.625 -11.735 1.00 6.86 H new ATOM 0 HA MET A 1 -15.156 -8.132 -10.093 1.00 5.49 H new ATOM 0 HB2 MET A 1 -14.316 -9.243 -12.721 1.00 6.42 H new ATOM 0 HB3 MET A 1 -15.012 -10.346 -11.551 1.00 6.42 H new ATOM 0 HG2 MET A 1 -16.978 -8.837 -11.284 1.00 7.28 H new ATOM 0 HG3 MET A 1 -16.279 -7.712 -12.432 1.00 7.28 H new ATOM 0 HE1 MET A 1 -19.460 -9.284 -14.212 1.00 9.62 H new ATOM 0 HE2 MET A 1 -19.254 -9.050 -12.460 1.00 9.62 H new ATOM 0 HE3 MET A 1 -18.719 -7.788 -13.595 1.00 9.62 H new ATOM 20 N ALA A 2 -12.385 -9.967 -10.351 1.00 4.09 N ATOM 21 CA ALA A 2 -11.432 -10.820 -9.633 1.00 4.01 C ATOM 22 C ALA A 2 -11.153 -10.326 -8.210 1.00 2.91 C ATOM 23 O ALA A 2 -11.599 -10.951 -7.252 1.00 3.80 O ATOM 24 CB ALA A 2 -10.141 -10.950 -10.450 1.00 5.39 C ATOM 0 H ALA A 2 -12.181 -9.900 -11.348 1.00 4.09 H new ATOM 0 HA ALA A 2 -11.883 -11.806 -9.521 1.00 4.01 H new ATOM 0 HB1 ALA A 2 -9.434 -11.584 -9.915 1.00 5.39 H new ATOM 0 HB2 ALA A 2 -10.367 -11.395 -11.419 1.00 5.39 H new ATOM 0 HB3 ALA A 2 -9.703 -9.963 -10.598 1.00 5.39 H new ATOM 30 N GLU A 3 -10.485 -9.175 -8.089 1.00 1.92 N ATOM 31 CA GLU A 3 -10.435 -8.393 -6.865 1.00 1.33 C ATOM 32 C GLU A 3 -9.973 -6.981 -7.229 1.00 0.84 C ATOM 33 O GLU A 3 -9.140 -6.811 -8.123 1.00 1.55 O ATOM 34 CB GLU A 3 -9.510 -9.040 -5.822 1.00 3.16 C ATOM 35 CG GLU A 3 -10.248 -9.467 -4.542 1.00 4.42 C ATOM 36 CD GLU A 3 -10.835 -8.314 -3.729 1.00 5.44 C ATOM 37 OE1 GLU A 3 -10.951 -7.203 -4.292 1.00 5.74 O ATOM 38 OE2 GLU A 3 -11.171 -8.576 -2.555 1.00 6.44 O ATOM 0 H GLU A 3 -9.957 -8.759 -8.856 1.00 1.92 H new ATOM 0 HA GLU A 3 -11.424 -8.352 -6.408 1.00 1.33 H new ATOM 0 HB2 GLU A 3 -9.028 -9.912 -6.264 1.00 3.16 H new ATOM 0 HB3 GLU A 3 -8.719 -8.337 -5.561 1.00 3.16 H new ATOM 0 HG2 GLU A 3 -11.054 -10.149 -4.814 1.00 4.42 H new ATOM 0 HG3 GLU A 3 -9.557 -10.025 -3.910 1.00 4.42 H new ATOM 45 N LYS A 4 -10.556 -5.982 -6.568 1.00 0.91 N ATOM 46 CA LYS A 4 -10.224 -4.571 -6.647 1.00 0.62 C ATOM 47 C LYS A 4 -10.744 -3.910 -5.373 1.00 0.55 C ATOM 48 O LYS A 4 -11.951 -3.932 -5.126 1.00 0.61 O ATOM 49 CB LYS A 4 -10.779 -3.943 -7.939 1.00 1.06 C ATOM 50 CG LYS A 4 -12.303 -4.067 -8.101 1.00 1.53 C ATOM 51 CD LYS A 4 -13.010 -2.736 -7.803 1.00 2.25 C ATOM 52 CE LYS A 4 -14.530 -2.944 -7.725 1.00 3.37 C ATOM 53 NZ LYS A 4 -15.243 -1.690 -7.411 1.00 4.50 N ATOM 0 H LYS A 4 -11.325 -6.155 -5.920 1.00 0.91 H new ATOM 0 HA LYS A 4 -9.146 -4.419 -6.705 1.00 0.62 H new ATOM 0 HB2 LYS A 4 -10.508 -2.887 -7.961 1.00 1.06 H new ATOM 0 HB3 LYS A 4 -10.295 -4.414 -8.795 1.00 1.06 H new ATOM 0 HG2 LYS A 4 -12.537 -4.385 -9.117 1.00 1.53 H new ATOM 0 HG3 LYS A 4 -12.680 -4.839 -7.430 1.00 1.53 H new ATOM 0 HD2 LYS A 4 -12.644 -2.325 -6.862 1.00 2.25 H new ATOM 0 HD3 LYS A 4 -12.775 -2.010 -8.581 1.00 2.25 H new ATOM 0 HE2 LYS A 4 -14.891 -3.339 -8.675 1.00 3.37 H new ATOM 0 HE3 LYS A 4 -14.755 -3.690 -6.963 1.00 3.37 H new ATOM 0 HZ1 LYS A 4 -16.266 -1.874 -7.367 1.00 4.50 H new ATOM 0 HZ2 LYS A 4 -14.917 -1.326 -6.493 1.00 4.50 H new ATOM 0 HZ3 LYS A 4 -15.049 -0.986 -8.151 1.00 4.50 H new ATOM 67 N THR A 5 -9.884 -3.311 -4.545 1.00 0.51 N ATOM 68 CA THR A 5 -10.328 -2.608 -3.343 1.00 0.51 C ATOM 69 C THR A 5 -9.328 -1.531 -3.062 1.00 0.43 C ATOM 70 O THR A 5 -8.177 -1.623 -3.493 1.00 0.45 O ATOM 71 CB THR A 5 -10.478 -3.535 -2.120 1.00 0.76 C ATOM 72 OG1 THR A 5 -11.462 -4.456 -2.451 1.00 0.93 O ATOM 73 CG2 THR A 5 -11.010 -2.834 -0.864 1.00 0.87 C ATOM 0 H THR A 5 -8.874 -3.300 -4.687 1.00 0.51 H new ATOM 0 HA THR A 5 -11.321 -2.197 -3.523 1.00 0.51 H new ATOM 0 HB THR A 5 -9.491 -3.941 -1.901 1.00 0.76 H new ATOM 0 HG1 THR A 5 -11.810 -4.256 -3.345 1.00 0.93 H new ATOM 0 HG21 THR A 5 -11.086 -3.555 -0.050 1.00 0.87 H new ATOM 0 HG22 THR A 5 -10.328 -2.034 -0.577 1.00 0.87 H new ATOM 0 HG23 THR A 5 -11.995 -2.415 -1.071 1.00 0.87 H new ATOM 81 N VAL A 6 -9.787 -0.508 -2.348 1.00 0.41 N ATOM 82 CA VAL A 6 -8.947 0.565 -1.931 1.00 0.34 C ATOM 83 C VAL A 6 -9.151 0.895 -0.460 1.00 0.36 C ATOM 84 O VAL A 6 -10.268 0.828 0.048 1.00 0.50 O ATOM 85 CB VAL A 6 -9.125 1.727 -2.914 1.00 0.36 C ATOM 86 CG1 VAL A 6 -10.584 2.078 -3.217 1.00 0.42 C ATOM 87 CG2 VAL A 6 -8.408 2.999 -2.472 1.00 0.37 C ATOM 0 H VAL A 6 -10.758 -0.417 -2.051 1.00 0.41 H new ATOM 0 HA VAL A 6 -7.894 0.286 -1.972 1.00 0.34 H new ATOM 0 HB VAL A 6 -8.668 1.347 -3.828 1.00 0.36 H new ATOM 0 HG11 VAL A 6 -10.620 2.910 -3.920 1.00 0.42 H new ATOM 0 HG12 VAL A 6 -11.083 1.213 -3.653 1.00 0.42 H new ATOM 0 HG13 VAL A 6 -11.089 2.362 -2.294 1.00 0.42 H new ATOM 0 HG21 VAL A 6 -8.572 3.784 -3.210 1.00 0.37 H new ATOM 0 HG22 VAL A 6 -8.799 3.320 -1.507 1.00 0.37 H new ATOM 0 HG23 VAL A 6 -7.340 2.802 -2.383 1.00 0.37 H new ATOM 97 N TYR A 7 -8.036 1.175 0.216 1.00 0.30 N ATOM 98 CA TYR A 7 -7.904 1.195 1.660 1.00 0.23 C ATOM 99 C TYR A 7 -7.295 2.544 2.053 1.00 0.22 C ATOM 100 O TYR A 7 -6.449 3.061 1.326 1.00 0.27 O ATOM 101 CB TYR A 7 -6.976 0.039 2.060 1.00 0.26 C ATOM 102 CG TYR A 7 -7.119 -1.250 1.254 1.00 0.58 C ATOM 103 CD1 TYR A 7 -8.235 -2.088 1.419 1.00 1.48 C ATOM 104 CD2 TYR A 7 -6.091 -1.652 0.379 1.00 2.12 C ATOM 105 CE1 TYR A 7 -8.222 -3.391 0.898 1.00 1.37 C ATOM 106 CE2 TYR A 7 -6.084 -2.947 -0.159 1.00 2.34 C ATOM 107 CZ TYR A 7 -7.151 -3.820 0.101 1.00 1.06 C ATOM 108 OH TYR A 7 -7.150 -5.083 -0.406 1.00 1.28 O ATOM 0 H TYR A 7 -7.163 1.404 -0.258 1.00 0.30 H new ATOM 0 HA TYR A 7 -8.863 1.075 2.164 1.00 0.23 H new ATOM 0 HB2 TYR A 7 -5.945 0.383 1.976 1.00 0.26 H new ATOM 0 HB3 TYR A 7 -7.151 -0.193 3.111 1.00 0.26 H new ATOM 0 HD1 TYR A 7 -9.105 -1.728 1.948 1.00 1.48 H new ATOM 0 HD2 TYR A 7 -5.304 -0.959 0.121 1.00 2.12 H new ATOM 0 HE1 TYR A 7 -9.039 -4.065 1.111 1.00 1.37 H new ATOM 0 HE2 TYR A 7 -5.257 -3.272 -0.773 1.00 2.34 H new ATOM 0 HH TYR A 7 -6.338 -5.222 -0.937 1.00 1.28 H new ATOM 118 N ARG A 8 -7.709 3.135 3.173 1.00 0.23 N ATOM 119 CA ARG A 8 -7.187 4.431 3.601 1.00 0.25 C ATOM 120 C ARG A 8 -5.888 4.222 4.364 1.00 0.21 C ATOM 121 O ARG A 8 -5.801 3.276 5.136 1.00 0.34 O ATOM 122 CB ARG A 8 -8.207 5.131 4.506 1.00 0.35 C ATOM 123 CG ARG A 8 -9.058 6.153 3.743 1.00 0.76 C ATOM 124 CD ARG A 8 -8.876 7.530 4.391 1.00 1.40 C ATOM 125 NE ARG A 8 -9.712 8.570 3.777 1.00 2.00 N ATOM 126 CZ ARG A 8 -11.006 8.800 4.064 1.00 2.47 C ATOM 127 NH1 ARG A 8 -11.767 7.890 4.678 1.00 2.88 N ATOM 128 NH2 ARG A 8 -11.552 9.972 3.723 1.00 3.62 N ATOM 0 H ARG A 8 -8.406 2.735 3.801 1.00 0.23 H new ATOM 0 HA ARG A 8 -7.002 5.053 2.725 1.00 0.25 H new ATOM 0 HB2 ARG A 8 -8.859 4.385 4.959 1.00 0.35 H new ATOM 0 HB3 ARG A 8 -7.683 5.633 5.320 1.00 0.35 H new ATOM 0 HG2 ARG A 8 -8.759 6.186 2.695 1.00 0.76 H new ATOM 0 HG3 ARG A 8 -10.108 5.861 3.765 1.00 0.76 H new ATOM 0 HD2 ARG A 8 -9.114 7.460 5.452 1.00 1.40 H new ATOM 0 HD3 ARG A 8 -7.829 7.824 4.318 1.00 1.40 H new ATOM 0 HE ARG A 8 -9.275 9.167 3.075 1.00 2.00 H new ATOM 0 HH11 ARG A 8 -11.370 6.989 4.944 1.00 2.88 H new ATOM 0 HH12 ARG A 8 -12.745 8.096 4.881 1.00 2.88 H new ATOM 0 HH21 ARG A 8 -10.988 10.679 3.251 1.00 3.62 H new ATOM 0 HH22 ARG A 8 -12.532 10.159 3.935 1.00 3.62 H new ATOM 142 N VAL A 9 -4.894 5.092 4.166 1.00 0.40 N ATOM 143 CA VAL A 9 -3.562 4.947 4.741 1.00 0.34 C ATOM 144 C VAL A 9 -3.126 6.281 5.331 1.00 0.38 C ATOM 145 O VAL A 9 -3.304 7.320 4.698 1.00 0.50 O ATOM 146 CB VAL A 9 -2.569 4.424 3.685 1.00 0.47 C ATOM 147 CG1 VAL A 9 -2.839 5.019 2.298 1.00 0.69 C ATOM 148 CG2 VAL A 9 -1.110 4.653 4.104 1.00 0.71 C ATOM 0 H VAL A 9 -4.998 5.929 3.592 1.00 0.40 H new ATOM 0 HA VAL A 9 -3.582 4.209 5.543 1.00 0.34 H new ATOM 0 HB VAL A 9 -2.728 3.348 3.619 1.00 0.47 H new ATOM 0 HG11 VAL A 9 -2.116 4.623 1.585 1.00 0.69 H new ATOM 0 HG12 VAL A 9 -3.847 4.754 1.978 1.00 0.69 H new ATOM 0 HG13 VAL A 9 -2.747 6.104 2.343 1.00 0.69 H new ATOM 0 HG21 VAL A 9 -0.445 4.269 3.331 1.00 0.71 H new ATOM 0 HG22 VAL A 9 -0.933 5.720 4.238 1.00 0.71 H new ATOM 0 HG23 VAL A 9 -0.915 4.132 5.042 1.00 0.71 H new ATOM 158 N ASP A 10 -2.524 6.216 6.522 1.00 0.40 N ATOM 159 CA ASP A 10 -2.052 7.357 7.278 1.00 0.46 C ATOM 160 C ASP A 10 -0.723 6.973 7.917 1.00 0.51 C ATOM 161 O ASP A 10 -0.501 5.799 8.226 1.00 0.47 O ATOM 162 CB ASP A 10 -3.070 7.692 8.376 1.00 0.59 C ATOM 163 CG ASP A 10 -4.239 8.502 7.833 1.00 1.22 C ATOM 164 OD1 ASP A 10 -4.069 9.736 7.752 1.00 1.54 O ATOM 165 OD2 ASP A 10 -5.275 7.875 7.523 1.00 2.72 O ATOM 0 H ASP A 10 -2.350 5.329 6.995 1.00 0.40 H new ATOM 0 HA ASP A 10 -1.928 8.225 6.631 1.00 0.46 H new ATOM 0 HB2 ASP A 10 -3.442 6.769 8.821 1.00 0.59 H new ATOM 0 HB3 ASP A 10 -2.577 8.252 9.170 1.00 0.59 H new ATOM 170 N GLY A 11 0.130 7.973 8.150 1.00 0.77 N ATOM 171 CA GLY A 11 1.294 7.898 9.021 1.00 0.75 C ATOM 172 C GLY A 11 2.540 8.375 8.285 1.00 0.85 C ATOM 173 O GLY A 11 3.209 9.302 8.734 1.00 1.44 O ATOM 0 H GLY A 11 0.020 8.891 7.718 1.00 0.77 H new ATOM 0 HA2 GLY A 11 1.132 8.509 9.909 1.00 0.75 H new ATOM 0 HA3 GLY A 11 1.436 6.872 9.362 1.00 0.75 H new ATOM 177 N LEU A 12 2.833 7.738 7.152 1.00 0.86 N ATOM 178 CA LEU A 12 4.001 8.051 6.344 1.00 0.91 C ATOM 179 C LEU A 12 3.955 9.490 5.828 1.00 0.96 C ATOM 180 O LEU A 12 2.881 10.081 5.711 1.00 1.13 O ATOM 181 CB LEU A 12 4.159 7.022 5.210 1.00 1.04 C ATOM 182 CG LEU A 12 3.200 7.126 4.009 1.00 1.23 C ATOM 183 CD1 LEU A 12 1.716 7.212 4.385 1.00 1.91 C ATOM 184 CD2 LEU A 12 3.631 8.234 3.035 1.00 2.50 C ATOM 0 H LEU A 12 2.260 6.986 6.770 1.00 0.86 H new ATOM 0 HA LEU A 12 4.888 7.982 6.974 1.00 0.91 H new ATOM 0 HB2 LEU A 12 5.179 7.094 4.832 1.00 1.04 H new ATOM 0 HB3 LEU A 12 4.049 6.027 5.642 1.00 1.04 H new ATOM 0 HG LEU A 12 3.287 6.174 3.484 1.00 1.23 H new ATOM 0 HD11 LEU A 12 1.115 7.282 3.479 1.00 1.91 H new ATOM 0 HD12 LEU A 12 1.430 6.320 4.942 1.00 1.91 H new ATOM 0 HD13 LEU A 12 1.547 8.095 5.002 1.00 1.91 H new ATOM 0 HD21 LEU A 12 2.931 8.278 2.201 1.00 2.50 H new ATOM 0 HD22 LEU A 12 3.637 9.193 3.554 1.00 2.50 H new ATOM 0 HD23 LEU A 12 4.631 8.019 2.659 1.00 2.50 H new ATOM 196 N SER A 13 5.116 10.050 5.481 1.00 1.14 N ATOM 197 CA SER A 13 5.204 11.365 4.858 1.00 1.46 C ATOM 198 C SER A 13 6.570 11.515 4.182 1.00 1.34 C ATOM 199 O SER A 13 7.452 12.212 4.683 1.00 1.87 O ATOM 200 CB SER A 13 4.935 12.467 5.896 1.00 2.11 C ATOM 201 OG SER A 13 4.734 13.706 5.243 1.00 2.81 O ATOM 0 H SER A 13 6.020 9.601 5.626 1.00 1.14 H new ATOM 0 HA SER A 13 4.439 11.467 4.088 1.00 1.46 H new ATOM 0 HB2 SER A 13 4.057 12.213 6.490 1.00 2.11 H new ATOM 0 HB3 SER A 13 5.776 12.542 6.586 1.00 2.11 H new ATOM 0 HG SER A 13 4.562 14.403 5.910 1.00 2.81 H new ATOM 207 N CYS A 14 6.772 10.837 3.046 1.00 1.01 N ATOM 208 CA CYS A 14 7.999 10.978 2.272 1.00 1.16 C ATOM 209 C CYS A 14 7.859 10.306 0.912 1.00 1.07 C ATOM 210 O CYS A 14 7.393 9.172 0.832 1.00 0.87 O ATOM 211 CB CYS A 14 9.200 10.387 3.032 1.00 1.38 C ATOM 212 SG CYS A 14 10.373 11.713 3.383 1.00 2.43 S ATOM 0 H CYS A 14 6.097 10.185 2.646 1.00 1.01 H new ATOM 0 HA CYS A 14 8.176 12.043 2.120 1.00 1.16 H new ATOM 0 HB2 CYS A 14 8.868 9.921 3.960 1.00 1.38 H new ATOM 0 HB3 CYS A 14 9.677 9.608 2.437 1.00 1.38 H new ATOM 0 HG CYS A 14 11.394 11.230 4.027 1.00 2.43 H new ATOM 218 N THR A 15 8.279 10.981 -0.161 1.00 1.27 N ATOM 219 CA THR A 15 8.238 10.441 -1.511 1.00 1.26 C ATOM 220 C THR A 15 9.073 9.162 -1.620 1.00 1.16 C ATOM 221 O THR A 15 8.639 8.186 -2.222 1.00 1.09 O ATOM 222 CB THR A 15 8.712 11.524 -2.487 1.00 1.43 C ATOM 223 OG1 THR A 15 8.118 12.753 -2.115 1.00 1.72 O ATOM 224 CG2 THR A 15 8.341 11.188 -3.934 1.00 1.48 C ATOM 0 H THR A 15 8.660 11.926 -0.110 1.00 1.27 H new ATOM 0 HA THR A 15 7.216 10.160 -1.766 1.00 1.26 H new ATOM 0 HB THR A 15 9.799 11.588 -2.436 1.00 1.43 H new ATOM 0 HG1 THR A 15 8.413 13.458 -2.729 1.00 1.72 H new ATOM 0 HG21 THR A 15 8.695 11.980 -4.594 1.00 1.48 H new ATOM 0 HG22 THR A 15 8.806 10.244 -4.219 1.00 1.48 H new ATOM 0 HG23 THR A 15 7.258 11.100 -4.021 1.00 1.48 H new ATOM 232 N ASN A 16 10.269 9.147 -1.024 1.00 1.17 N ATOM 233 CA ASN A 16 11.137 7.978 -1.044 1.00 1.11 C ATOM 234 C ASN A 16 10.420 6.778 -0.423 1.00 0.95 C ATOM 235 O ASN A 16 10.380 5.692 -1.002 1.00 0.78 O ATOM 236 CB ASN A 16 12.460 8.265 -0.316 1.00 1.21 C ATOM 237 CG ASN A 16 13.356 9.249 -1.067 1.00 1.67 C ATOM 238 OD1 ASN A 16 12.963 9.827 -2.075 1.00 2.39 O ATOM 239 ND2 ASN A 16 14.573 9.460 -0.576 1.00 2.38 N ATOM 0 H ASN A 16 10.656 9.943 -0.518 1.00 1.17 H new ATOM 0 HA ASN A 16 11.374 7.740 -2.081 1.00 1.11 H new ATOM 0 HB2 ASN A 16 12.243 8.664 0.675 1.00 1.21 H new ATOM 0 HB3 ASN A 16 12.999 7.329 -0.172 1.00 1.21 H new ATOM 0 HD21 ASN A 16 15.203 10.115 -1.039 1.00 2.38 H new ATOM 0 HD22 ASN A 16 14.877 8.967 0.264 1.00 2.38 H new ATOM 246 N CYS A 17 9.825 6.988 0.755 1.00 1.03 N ATOM 247 CA CYS A 17 9.009 5.980 1.417 1.00 0.88 C ATOM 248 C CYS A 17 7.875 5.555 0.496 1.00 0.85 C ATOM 249 O CYS A 17 7.647 4.361 0.315 1.00 0.77 O ATOM 250 CB CYS A 17 8.433 6.508 2.736 1.00 0.85 C ATOM 251 SG CYS A 17 9.668 6.420 4.054 1.00 1.12 S ATOM 0 H CYS A 17 9.899 7.864 1.272 1.00 1.03 H new ATOM 0 HA CYS A 17 9.643 5.123 1.643 1.00 0.88 H new ATOM 0 HB2 CYS A 17 8.104 7.539 2.608 1.00 0.85 H new ATOM 0 HB3 CYS A 17 7.555 5.925 3.014 1.00 0.85 H new ATOM 0 HG CYS A 17 9.156 6.875 5.159 1.00 1.12 H new ATOM 257 N ALA A 18 7.167 6.522 -0.093 1.00 0.94 N ATOM 258 CA ALA A 18 6.057 6.248 -0.991 1.00 0.93 C ATOM 259 C ALA A 18 6.480 5.298 -2.111 1.00 0.78 C ATOM 260 O ALA A 18 5.831 4.279 -2.357 1.00 0.75 O ATOM 261 CB ALA A 18 5.480 7.548 -1.561 1.00 1.08 C ATOM 0 H ALA A 18 7.352 7.516 0.043 1.00 0.94 H new ATOM 0 HA ALA A 18 5.272 5.757 -0.415 1.00 0.93 H new ATOM 0 HB1 ALA A 18 4.651 7.316 -2.230 1.00 1.08 H new ATOM 0 HB2 ALA A 18 5.123 8.176 -0.745 1.00 1.08 H new ATOM 0 HB3 ALA A 18 6.255 8.078 -2.115 1.00 1.08 H new ATOM 267 N ALA A 19 7.592 5.643 -2.760 1.00 0.72 N ATOM 268 CA ALA A 19 8.181 4.868 -3.835 1.00 0.65 C ATOM 269 C ALA A 19 8.504 3.464 -3.337 1.00 0.56 C ATOM 270 O ALA A 19 8.081 2.480 -3.938 1.00 0.50 O ATOM 271 CB ALA A 19 9.425 5.577 -4.377 1.00 0.69 C ATOM 0 H ALA A 19 8.116 6.491 -2.542 1.00 0.72 H new ATOM 0 HA ALA A 19 7.470 4.780 -4.656 1.00 0.65 H new ATOM 0 HB1 ALA A 19 9.858 4.986 -5.184 1.00 0.69 H new ATOM 0 HB2 ALA A 19 9.147 6.560 -4.757 1.00 0.69 H new ATOM 0 HB3 ALA A 19 10.157 5.691 -3.577 1.00 0.69 H new ATOM 277 N LYS A 20 9.232 3.351 -2.220 1.00 0.60 N ATOM 278 CA LYS A 20 9.533 2.035 -1.682 1.00 0.54 C ATOM 279 C LYS A 20 8.248 1.237 -1.457 1.00 0.49 C ATOM 280 O LYS A 20 8.204 0.064 -1.810 1.00 0.44 O ATOM 281 CB LYS A 20 10.387 2.105 -0.410 1.00 0.79 C ATOM 282 CG LYS A 20 10.677 0.664 0.041 1.00 0.77 C ATOM 283 CD LYS A 20 11.823 0.570 1.052 1.00 1.35 C ATOM 284 CE LYS A 20 11.995 -0.873 1.554 1.00 2.20 C ATOM 285 NZ LYS A 20 12.085 -1.859 0.452 1.00 3.81 N ATOM 0 H LYS A 20 9.611 4.135 -1.689 1.00 0.60 H new ATOM 0 HA LYS A 20 10.134 1.509 -2.424 1.00 0.54 H new ATOM 0 HB2 LYS A 20 11.317 2.639 -0.603 1.00 0.79 H new ATOM 0 HB3 LYS A 20 9.862 2.652 0.373 1.00 0.79 H new ATOM 0 HG2 LYS A 20 9.775 0.239 0.482 1.00 0.77 H new ATOM 0 HG3 LYS A 20 10.920 0.058 -0.832 1.00 0.77 H new ATOM 0 HD2 LYS A 20 12.749 0.911 0.590 1.00 1.35 H new ATOM 0 HD3 LYS A 20 11.624 1.231 1.895 1.00 1.35 H new ATOM 0 HE2 LYS A 20 12.896 -0.935 2.165 1.00 2.20 H new ATOM 0 HE3 LYS A 20 11.154 -1.131 2.198 1.00 2.20 H new ATOM 0 HZ1 LYS A 20 12.301 -2.798 0.843 1.00 3.81 H new ATOM 0 HZ2 LYS A 20 11.178 -1.896 -0.056 1.00 3.81 H new ATOM 0 HZ3 LYS A 20 12.839 -1.576 -0.206 1.00 3.81 H new ATOM 299 N PHE A 21 7.219 1.860 -0.881 1.00 0.59 N ATOM 300 CA PHE A 21 5.924 1.229 -0.670 1.00 0.61 C ATOM 301 C PHE A 21 5.397 0.655 -1.987 1.00 0.58 C ATOM 302 O PHE A 21 5.199 -0.554 -2.098 1.00 0.56 O ATOM 303 CB PHE A 21 4.912 2.232 -0.083 1.00 0.66 C ATOM 304 CG PHE A 21 4.304 1.845 1.245 1.00 0.95 C ATOM 305 CD1 PHE A 21 3.681 0.591 1.399 1.00 1.68 C ATOM 306 CD2 PHE A 21 4.126 2.837 2.226 1.00 2.34 C ATOM 307 CE1 PHE A 21 2.946 0.312 2.561 1.00 1.83 C ATOM 308 CE2 PHE A 21 3.296 2.591 3.328 1.00 2.33 C ATOM 309 CZ PHE A 21 2.727 1.321 3.512 1.00 1.19 C ATOM 0 H PHE A 21 7.265 2.823 -0.547 1.00 0.59 H new ATOM 0 HA PHE A 21 6.052 0.417 0.045 1.00 0.61 H new ATOM 0 HB2 PHE A 21 5.408 3.196 0.032 1.00 0.66 H new ATOM 0 HB3 PHE A 21 4.107 2.372 -0.804 1.00 0.66 H new ATOM 0 HD1 PHE A 21 3.769 -0.155 0.623 1.00 1.68 H new ATOM 0 HD2 PHE A 21 4.629 3.788 2.130 1.00 2.34 H new ATOM 0 HE1 PHE A 21 2.549 -0.679 2.724 1.00 1.83 H new ATOM 0 HE2 PHE A 21 3.094 3.380 4.037 1.00 2.33 H new ATOM 0 HZ PHE A 21 2.122 1.121 4.384 1.00 1.19 H new ATOM 319 N GLU A 22 5.141 1.517 -2.977 1.00 0.60 N ATOM 320 CA GLU A 22 4.458 1.091 -4.195 1.00 0.61 C ATOM 321 C GLU A 22 5.254 -0.005 -4.903 1.00 0.49 C ATOM 322 O GLU A 22 4.688 -0.986 -5.381 1.00 0.49 O ATOM 323 CB GLU A 22 4.133 2.302 -5.085 1.00 0.77 C ATOM 324 CG GLU A 22 5.274 2.918 -5.905 1.00 0.68 C ATOM 325 CD GLU A 22 5.445 2.248 -7.257 1.00 1.14 C ATOM 326 OE1 GLU A 22 4.431 2.221 -7.991 1.00 1.76 O ATOM 327 OE2 GLU A 22 6.549 1.735 -7.531 1.00 2.58 O ATOM 0 H GLU A 22 5.395 2.505 -2.956 1.00 0.60 H new ATOM 0 HA GLU A 22 3.498 0.643 -3.938 1.00 0.61 H new ATOM 0 HB2 GLU A 22 3.346 2.006 -5.778 1.00 0.77 H new ATOM 0 HB3 GLU A 22 3.719 3.084 -4.448 1.00 0.77 H new ATOM 0 HG2 GLU A 22 5.080 3.980 -6.051 1.00 0.68 H new ATOM 0 HG3 GLU A 22 6.205 2.839 -5.343 1.00 0.68 H new ATOM 334 N ARG A 23 6.577 0.150 -4.917 1.00 0.43 N ATOM 335 CA ARG A 23 7.499 -0.809 -5.501 1.00 0.43 C ATOM 336 C ARG A 23 7.416 -2.136 -4.736 1.00 0.43 C ATOM 337 O ARG A 23 7.255 -3.186 -5.349 1.00 0.46 O ATOM 338 CB ARG A 23 8.905 -0.187 -5.463 1.00 0.51 C ATOM 339 CG ARG A 23 9.832 -0.642 -6.587 1.00 1.00 C ATOM 340 CD ARG A 23 9.999 -2.164 -6.634 1.00 1.86 C ATOM 341 NE ARG A 23 11.301 -2.590 -7.164 1.00 1.87 N ATOM 342 CZ ARG A 23 11.927 -2.119 -8.250 1.00 2.27 C ATOM 343 NH1 ARG A 23 11.248 -1.400 -9.149 1.00 3.22 N ATOM 344 NH2 ARG A 23 13.232 -2.357 -8.423 1.00 2.60 N ATOM 0 H ARG A 23 7.042 0.963 -4.514 1.00 0.43 H new ATOM 0 HA ARG A 23 7.246 -1.032 -6.538 1.00 0.43 H new ATOM 0 HB2 ARG A 23 8.809 0.898 -5.506 1.00 0.51 H new ATOM 0 HB3 ARG A 23 9.369 -0.429 -4.507 1.00 0.51 H new ATOM 0 HG2 ARG A 23 9.437 -0.294 -7.542 1.00 1.00 H new ATOM 0 HG3 ARG A 23 10.809 -0.177 -6.458 1.00 1.00 H new ATOM 0 HD2 ARG A 23 9.874 -2.567 -5.629 1.00 1.86 H new ATOM 0 HD3 ARG A 23 9.207 -2.591 -7.249 1.00 1.86 H new ATOM 0 HE ARG A 23 11.782 -3.326 -6.647 1.00 1.87 H new ATOM 0 HH11 ARG A 23 10.256 -1.211 -9.007 1.00 3.22 H new ATOM 0 HH12 ARG A 23 11.722 -1.040 -9.977 1.00 3.22 H new ATOM 0 HH21 ARG A 23 13.749 -2.896 -7.728 1.00 2.60 H new ATOM 0 HH22 ARG A 23 13.710 -1.999 -9.250 1.00 2.60 H new ATOM 358 N ASN A 24 7.496 -2.102 -3.400 1.00 0.43 N ATOM 359 CA ASN A 24 7.329 -3.286 -2.559 1.00 0.47 C ATOM 360 C ASN A 24 6.028 -4.002 -2.933 1.00 0.45 C ATOM 361 O ASN A 24 6.026 -5.213 -3.127 1.00 0.48 O ATOM 362 CB ASN A 24 7.311 -2.926 -1.062 1.00 0.56 C ATOM 363 CG ASN A 24 8.635 -3.167 -0.333 1.00 0.78 C ATOM 364 OD1 ASN A 24 9.625 -2.455 -0.511 1.00 1.66 O ATOM 365 ND2 ASN A 24 8.656 -4.156 0.560 1.00 1.50 N ATOM 0 H ASN A 24 7.679 -1.248 -2.873 1.00 0.43 H new ATOM 0 HA ASN A 24 8.181 -3.943 -2.733 1.00 0.47 H new ATOM 0 HB2 ASN A 24 7.040 -1.875 -0.958 1.00 0.56 H new ATOM 0 HB3 ASN A 24 6.530 -3.507 -0.571 1.00 0.56 H new ATOM 0 HD21 ASN A 24 9.499 -4.332 1.107 1.00 1.50 H new ATOM 0 HD22 ASN A 24 7.829 -4.737 0.697 1.00 1.50 H new ATOM 372 N VAL A 25 4.918 -3.262 -3.036 1.00 0.45 N ATOM 373 CA VAL A 25 3.647 -3.854 -3.443 1.00 0.45 C ATOM 374 C VAL A 25 3.762 -4.471 -4.839 1.00 0.44 C ATOM 375 O VAL A 25 3.356 -5.608 -5.043 1.00 0.44 O ATOM 376 CB VAL A 25 2.490 -2.847 -3.354 1.00 0.49 C ATOM 377 CG1 VAL A 25 1.176 -3.535 -3.750 1.00 0.49 C ATOM 378 CG2 VAL A 25 2.339 -2.327 -1.922 1.00 0.53 C ATOM 0 H VAL A 25 4.878 -2.261 -2.844 1.00 0.45 H new ATOM 0 HA VAL A 25 3.412 -4.655 -2.742 1.00 0.45 H new ATOM 0 HB VAL A 25 2.709 -2.018 -4.027 1.00 0.49 H new ATOM 0 HG11 VAL A 25 0.357 -2.819 -3.686 1.00 0.49 H new ATOM 0 HG12 VAL A 25 1.254 -3.907 -4.771 1.00 0.49 H new ATOM 0 HG13 VAL A 25 0.983 -4.368 -3.074 1.00 0.49 H new ATOM 0 HG21 VAL A 25 1.515 -1.615 -1.878 1.00 0.53 H new ATOM 0 HG22 VAL A 25 2.133 -3.162 -1.252 1.00 0.53 H new ATOM 0 HG23 VAL A 25 3.261 -1.834 -1.615 1.00 0.53 H new ATOM 388 N LYS A 26 4.315 -3.743 -5.808 1.00 0.46 N ATOM 389 CA LYS A 26 4.546 -4.261 -7.144 1.00 0.48 C ATOM 390 C LYS A 26 5.376 -5.554 -7.139 1.00 0.48 C ATOM 391 O LYS A 26 5.134 -6.430 -7.964 1.00 0.53 O ATOM 392 CB LYS A 26 5.190 -3.137 -7.952 1.00 0.52 C ATOM 393 CG LYS A 26 4.112 -2.150 -8.408 1.00 0.70 C ATOM 394 CD LYS A 26 4.812 -0.916 -8.969 1.00 0.64 C ATOM 395 CE LYS A 26 3.920 -0.108 -9.921 1.00 0.71 C ATOM 396 NZ LYS A 26 2.825 0.585 -9.212 1.00 1.89 N ATOM 0 H LYS A 26 4.614 -2.776 -5.682 1.00 0.46 H new ATOM 0 HA LYS A 26 3.604 -4.556 -7.607 1.00 0.48 H new ATOM 0 HB2 LYS A 26 5.936 -2.622 -7.347 1.00 0.52 H new ATOM 0 HB3 LYS A 26 5.710 -3.549 -8.817 1.00 0.52 H new ATOM 0 HG2 LYS A 26 3.475 -2.605 -9.166 1.00 0.70 H new ATOM 0 HG3 LYS A 26 3.468 -1.876 -7.573 1.00 0.70 H new ATOM 0 HD2 LYS A 26 5.128 -0.277 -8.145 1.00 0.64 H new ATOM 0 HD3 LYS A 26 5.714 -1.224 -9.497 1.00 0.64 H new ATOM 0 HE2 LYS A 26 4.528 0.625 -10.450 1.00 0.71 H new ATOM 0 HE3 LYS A 26 3.498 -0.775 -10.673 1.00 0.71 H new ATOM 0 HZ1 LYS A 26 2.155 0.975 -9.905 1.00 1.89 H new ATOM 0 HZ2 LYS A 26 2.330 -0.089 -8.594 1.00 1.89 H new ATOM 0 HZ3 LYS A 26 3.218 1.358 -8.637 1.00 1.89 H new ATOM 410 N GLU A 27 6.333 -5.692 -6.216 1.00 0.47 N ATOM 411 CA GLU A 27 7.111 -6.916 -6.050 1.00 0.53 C ATOM 412 C GLU A 27 6.298 -8.085 -5.457 1.00 0.51 C ATOM 413 O GLU A 27 6.803 -9.206 -5.428 1.00 0.60 O ATOM 414 CB GLU A 27 8.388 -6.617 -5.243 1.00 0.68 C ATOM 415 CG GLU A 27 9.370 -5.743 -6.047 1.00 0.83 C ATOM 416 CD GLU A 27 10.569 -5.249 -5.236 1.00 1.33 C ATOM 417 OE1 GLU A 27 10.452 -5.186 -3.994 1.00 2.12 O ATOM 418 OE2 GLU A 27 11.575 -4.872 -5.884 1.00 2.01 O ATOM 0 H GLU A 27 6.588 -4.952 -5.562 1.00 0.47 H new ATOM 0 HA GLU A 27 7.399 -7.259 -7.043 1.00 0.53 H new ATOM 0 HB2 GLU A 27 8.123 -6.110 -4.315 1.00 0.68 H new ATOM 0 HB3 GLU A 27 8.874 -7.553 -4.967 1.00 0.68 H new ATOM 0 HG2 GLU A 27 9.733 -6.314 -6.902 1.00 0.83 H new ATOM 0 HG3 GLU A 27 8.833 -4.882 -6.444 1.00 0.83 H new ATOM 425 N ILE A 28 5.061 -7.877 -4.985 1.00 0.48 N ATOM 426 CA ILE A 28 4.208 -8.976 -4.533 1.00 0.48 C ATOM 427 C ILE A 28 3.746 -9.802 -5.737 1.00 0.50 C ATOM 428 O ILE A 28 3.365 -9.256 -6.770 1.00 0.85 O ATOM 429 CB ILE A 28 2.988 -8.446 -3.752 1.00 0.49 C ATOM 430 CG1 ILE A 28 3.372 -7.663 -2.483 1.00 0.42 C ATOM 431 CG2 ILE A 28 1.967 -9.545 -3.429 1.00 0.64 C ATOM 432 CD1 ILE A 28 4.044 -8.497 -1.390 1.00 2.17 C ATOM 0 H ILE A 28 4.632 -6.955 -4.908 1.00 0.48 H new ATOM 0 HA ILE A 28 4.789 -9.609 -3.862 1.00 0.48 H new ATOM 0 HB ILE A 28 2.508 -7.740 -4.429 1.00 0.49 H new ATOM 0 HG12 ILE A 28 4.042 -6.851 -2.764 1.00 0.42 H new ATOM 0 HG13 ILE A 28 2.473 -7.206 -2.070 1.00 0.42 H new ATOM 0 HG21 ILE A 28 1.130 -9.114 -2.879 1.00 0.64 H new ATOM 0 HG22 ILE A 28 1.602 -9.987 -4.356 1.00 0.64 H new ATOM 0 HG23 ILE A 28 2.442 -10.316 -2.822 1.00 0.64 H new ATOM 0 HD11 ILE A 28 4.277 -7.859 -0.537 1.00 2.17 H new ATOM 0 HD12 ILE A 28 3.370 -9.294 -1.074 1.00 2.17 H new ATOM 0 HD13 ILE A 28 4.964 -8.933 -1.779 1.00 2.17 H new ATOM 444 N GLU A 29 3.714 -11.124 -5.570 1.00 0.43 N ATOM 445 CA GLU A 29 3.149 -12.069 -6.500 1.00 0.48 C ATOM 446 C GLU A 29 1.670 -12.279 -6.167 1.00 0.72 C ATOM 447 O GLU A 29 1.293 -12.365 -4.999 1.00 2.51 O ATOM 448 CB GLU A 29 3.918 -13.385 -6.357 1.00 0.65 C ATOM 449 CG GLU A 29 5.232 -13.374 -7.147 1.00 0.76 C ATOM 450 CD GLU A 29 5.922 -14.732 -7.090 1.00 1.54 C ATOM 451 OE1 GLU A 29 5.234 -15.726 -7.407 1.00 2.51 O ATOM 452 OE2 GLU A 29 7.118 -14.753 -6.729 1.00 2.73 O ATOM 0 H GLU A 29 4.102 -11.574 -4.741 1.00 0.43 H new ATOM 0 HA GLU A 29 3.226 -11.704 -7.524 1.00 0.48 H new ATOM 0 HB2 GLU A 29 4.130 -13.568 -5.304 1.00 0.65 H new ATOM 0 HB3 GLU A 29 3.294 -14.209 -6.704 1.00 0.65 H new ATOM 0 HG2 GLU A 29 5.033 -13.108 -8.185 1.00 0.76 H new ATOM 0 HG3 GLU A 29 5.895 -12.609 -6.743 1.00 0.76 H new ATOM 459 N GLY A 30 0.842 -12.374 -7.207 1.00 1.40 N ATOM 460 CA GLY A 30 -0.575 -12.712 -7.129 1.00 1.63 C ATOM 461 C GLY A 30 -1.435 -11.507 -7.495 1.00 1.40 C ATOM 462 O GLY A 30 -2.372 -11.610 -8.285 1.00 1.81 O ATOM 0 H GLY A 30 1.155 -12.211 -8.164 1.00 1.40 H new ATOM 0 HA2 GLY A 30 -0.794 -13.540 -7.803 1.00 1.63 H new ATOM 0 HA3 GLY A 30 -0.819 -13.047 -6.121 1.00 1.63 H new ATOM 466 N VAL A 31 -1.104 -10.347 -6.927 1.00 0.96 N ATOM 467 CA VAL A 31 -1.746 -9.093 -7.268 1.00 0.82 C ATOM 468 C VAL A 31 -1.455 -8.733 -8.735 1.00 0.72 C ATOM 469 O VAL A 31 -0.501 -9.244 -9.320 1.00 0.77 O ATOM 470 CB VAL A 31 -1.292 -8.037 -6.249 1.00 0.89 C ATOM 471 CG1 VAL A 31 0.151 -7.581 -6.461 1.00 0.92 C ATOM 472 CG2 VAL A 31 -2.208 -6.821 -6.250 1.00 0.88 C ATOM 0 H VAL A 31 -0.379 -10.258 -6.215 1.00 0.96 H new ATOM 0 HA VAL A 31 -2.832 -9.159 -7.204 1.00 0.82 H new ATOM 0 HB VAL A 31 -1.349 -8.532 -5.279 1.00 0.89 H new ATOM 0 HG11 VAL A 31 0.411 -6.835 -5.710 1.00 0.92 H new ATOM 0 HG12 VAL A 31 0.820 -8.437 -6.370 1.00 0.92 H new ATOM 0 HG13 VAL A 31 0.253 -7.145 -7.455 1.00 0.92 H new ATOM 0 HG21 VAL A 31 -1.853 -6.098 -5.516 1.00 0.88 H new ATOM 0 HG22 VAL A 31 -2.206 -6.365 -7.240 1.00 0.88 H new ATOM 0 HG23 VAL A 31 -3.222 -7.129 -5.995 1.00 0.88 H new ATOM 482 N THR A 32 -2.290 -7.882 -9.340 1.00 0.77 N ATOM 483 CA THR A 32 -2.156 -7.455 -10.727 1.00 0.84 C ATOM 484 C THR A 32 -1.700 -6.004 -10.730 1.00 0.74 C ATOM 485 O THR A 32 -0.619 -5.714 -11.237 1.00 0.80 O ATOM 486 CB THR A 32 -3.480 -7.652 -11.479 1.00 0.92 C ATOM 487 OG1 THR A 32 -3.845 -9.017 -11.422 1.00 1.03 O ATOM 488 CG2 THR A 32 -3.380 -7.241 -12.950 1.00 1.13 C ATOM 0 H THR A 32 -3.091 -7.466 -8.866 1.00 0.77 H new ATOM 0 HA THR A 32 -1.414 -8.059 -11.249 1.00 0.84 H new ATOM 0 HB THR A 32 -4.226 -7.019 -10.999 1.00 0.92 H new ATOM 0 HG1 THR A 32 -4.691 -9.150 -11.899 1.00 1.03 H new ATOM 0 HG21 THR A 32 -4.342 -7.399 -13.438 1.00 1.13 H new ATOM 0 HG22 THR A 32 -3.109 -6.187 -13.016 1.00 1.13 H new ATOM 0 HG23 THR A 32 -2.618 -7.843 -13.445 1.00 1.13 H new ATOM 496 N GLU A 33 -2.503 -5.111 -10.139 1.00 0.64 N ATOM 497 CA GLU A 33 -2.062 -3.724 -9.953 1.00 0.61 C ATOM 498 C GLU A 33 -2.208 -3.250 -8.513 1.00 0.62 C ATOM 499 O GLU A 33 -2.964 -3.816 -7.729 1.00 0.79 O ATOM 500 CB GLU A 33 -2.785 -2.770 -10.912 1.00 0.58 C ATOM 501 CG GLU A 33 -2.356 -2.992 -12.368 1.00 0.68 C ATOM 502 CD GLU A 33 -2.479 -1.703 -13.168 1.00 1.09 C ATOM 503 OE1 GLU A 33 -1.680 -0.787 -12.873 1.00 2.21 O ATOM 504 OE2 GLU A 33 -3.380 -1.648 -14.030 1.00 1.95 O ATOM 0 H GLU A 33 -3.439 -5.316 -9.789 1.00 0.64 H new ATOM 0 HA GLU A 33 -0.998 -3.709 -10.190 1.00 0.61 H new ATOM 0 HB2 GLU A 33 -3.862 -2.914 -10.824 1.00 0.58 H new ATOM 0 HB3 GLU A 33 -2.577 -1.739 -10.625 1.00 0.58 H new ATOM 0 HG2 GLU A 33 -1.326 -3.348 -12.399 1.00 0.68 H new ATOM 0 HG3 GLU A 33 -2.975 -3.767 -12.820 1.00 0.68 H new ATOM 511 N ALA A 34 -1.506 -2.171 -8.167 1.00 0.52 N ATOM 512 CA ALA A 34 -1.754 -1.434 -6.944 1.00 0.51 C ATOM 513 C ALA A 34 -1.327 0.011 -7.158 1.00 0.50 C ATOM 514 O ALA A 34 -0.318 0.251 -7.829 1.00 0.54 O ATOM 515 CB ALA A 34 -0.990 -2.063 -5.780 1.00 0.68 C ATOM 0 H ALA A 34 -0.749 -1.788 -8.734 1.00 0.52 H new ATOM 0 HA ALA A 34 -2.815 -1.467 -6.696 1.00 0.51 H new ATOM 0 HB1 ALA A 34 -1.186 -1.498 -4.869 1.00 0.68 H new ATOM 0 HB2 ALA A 34 -1.316 -3.094 -5.645 1.00 0.68 H new ATOM 0 HB3 ALA A 34 0.079 -2.046 -5.994 1.00 0.68 H new ATOM 521 N ILE A 35 -2.096 0.955 -6.606 1.00 0.52 N ATOM 522 CA ILE A 35 -1.811 2.379 -6.719 1.00 0.61 C ATOM 523 C ILE A 35 -1.828 2.935 -5.303 1.00 0.64 C ATOM 524 O ILE A 35 -2.898 3.091 -4.719 1.00 0.61 O ATOM 525 CB ILE A 35 -2.837 3.098 -7.619 1.00 0.62 C ATOM 526 CG1 ILE A 35 -2.984 2.395 -8.981 1.00 0.63 C ATOM 527 CG2 ILE A 35 -2.394 4.557 -7.815 1.00 0.77 C ATOM 528 CD1 ILE A 35 -4.050 3.049 -9.865 1.00 1.39 C ATOM 0 H ILE A 35 -2.936 0.746 -6.067 1.00 0.52 H new ATOM 0 HA ILE A 35 -0.842 2.541 -7.191 1.00 0.61 H new ATOM 0 HB ILE A 35 -3.812 3.068 -7.132 1.00 0.62 H new ATOM 0 HG12 ILE A 35 -2.026 2.411 -9.500 1.00 0.63 H new ATOM 0 HG13 ILE A 35 -3.242 1.348 -8.820 1.00 0.63 H new ATOM 0 HG21 ILE A 35 -3.114 5.074 -8.450 1.00 0.77 H new ATOM 0 HG22 ILE A 35 -2.342 5.055 -6.847 1.00 0.77 H new ATOM 0 HG23 ILE A 35 -1.412 4.579 -8.287 1.00 0.77 H new ATOM 0 HD11 ILE A 35 -4.114 2.515 -10.813 1.00 1.39 H new ATOM 0 HD12 ILE A 35 -5.015 3.009 -9.361 1.00 1.39 H new ATOM 0 HD13 ILE A 35 -3.781 4.089 -10.051 1.00 1.39 H new ATOM 540 N VAL A 36 -0.653 3.213 -4.742 1.00 0.74 N ATOM 541 CA VAL A 36 -0.560 3.827 -3.431 1.00 0.68 C ATOM 542 C VAL A 36 -0.689 5.342 -3.616 1.00 0.63 C ATOM 543 O VAL A 36 0.081 5.925 -4.378 1.00 0.73 O ATOM 544 CB VAL A 36 0.717 3.377 -2.698 1.00 0.72 C ATOM 545 CG1 VAL A 36 1.104 1.919 -2.986 1.00 1.94 C ATOM 546 CG2 VAL A 36 1.925 4.268 -2.988 1.00 1.57 C ATOM 0 H VAL A 36 0.247 3.020 -5.181 1.00 0.74 H new ATOM 0 HA VAL A 36 -1.370 3.502 -2.779 1.00 0.68 H new ATOM 0 HB VAL A 36 0.454 3.469 -1.644 1.00 0.72 H new ATOM 0 HG11 VAL A 36 2.012 1.669 -2.438 1.00 1.94 H new ATOM 0 HG12 VAL A 36 0.296 1.259 -2.670 1.00 1.94 H new ATOM 0 HG13 VAL A 36 1.279 1.793 -4.055 1.00 1.94 H new ATOM 0 HG21 VAL A 36 2.791 3.896 -2.441 1.00 1.57 H new ATOM 0 HG22 VAL A 36 2.138 4.255 -4.057 1.00 1.57 H new ATOM 0 HG23 VAL A 36 1.708 5.289 -2.673 1.00 1.57 H new ATOM 556 N ASN A 37 -1.668 5.989 -2.977 1.00 0.64 N ATOM 557 CA ASN A 37 -1.799 7.439 -3.021 1.00 0.77 C ATOM 558 C ASN A 37 -1.747 7.906 -1.575 1.00 1.20 C ATOM 559 O ASN A 37 -2.719 7.732 -0.845 1.00 2.58 O ATOM 560 CB ASN A 37 -3.107 7.862 -3.710 1.00 1.09 C ATOM 561 CG ASN A 37 -3.387 7.102 -5.002 1.00 1.57 C ATOM 562 OD1 ASN A 37 -3.073 7.566 -6.092 1.00 1.91 O ATOM 563 ND2 ASN A 37 -4.004 5.931 -4.880 1.00 2.55 N ATOM 0 H ASN A 37 -2.384 5.522 -2.420 1.00 0.64 H new ATOM 0 HA ASN A 37 -1.000 7.893 -3.607 1.00 0.77 H new ATOM 0 HB2 ASN A 37 -3.937 7.709 -3.021 1.00 1.09 H new ATOM 0 HB3 ASN A 37 -3.065 8.929 -3.927 1.00 1.09 H new ATOM 0 HD21 ASN A 37 -4.232 5.386 -5.711 1.00 2.55 H new ATOM 0 HD22 ASN A 37 -4.249 5.578 -3.955 1.00 2.55 H new ATOM 570 N PHE A 38 -0.611 8.442 -1.134 1.00 1.15 N ATOM 571 CA PHE A 38 -0.395 8.815 0.258 1.00 1.41 C ATOM 572 C PHE A 38 -0.576 10.319 0.456 1.00 1.63 C ATOM 573 O PHE A 38 -1.207 10.988 -0.361 1.00 2.56 O ATOM 574 CB PHE A 38 0.994 8.329 0.681 1.00 1.62 C ATOM 575 CG PHE A 38 1.219 6.839 0.526 1.00 1.53 C ATOM 576 CD1 PHE A 38 0.286 5.924 1.040 1.00 2.09 C ATOM 577 CD2 PHE A 38 2.425 6.365 -0.010 1.00 2.38 C ATOM 578 CE1 PHE A 38 0.546 4.546 0.993 1.00 2.11 C ATOM 579 CE2 PHE A 38 2.698 4.989 -0.014 1.00 2.80 C ATOM 580 CZ PHE A 38 1.767 4.079 0.499 1.00 2.15 C ATOM 0 H PHE A 38 0.189 8.630 -1.738 1.00 1.15 H new ATOM 0 HA PHE A 38 -1.139 8.338 0.896 1.00 1.41 H new ATOM 0 HB2 PHE A 38 1.744 8.859 0.093 1.00 1.62 H new ATOM 0 HB3 PHE A 38 1.157 8.600 1.724 1.00 1.62 H new ATOM 0 HD1 PHE A 38 -0.636 6.283 1.473 1.00 2.09 H new ATOM 0 HD2 PHE A 38 3.144 7.059 -0.420 1.00 2.38 H new ATOM 0 HE1 PHE A 38 -0.199 3.845 1.339 1.00 2.11 H new ATOM 0 HE2 PHE A 38 3.634 4.629 -0.416 1.00 2.80 H new ATOM 0 HZ PHE A 38 1.991 3.022 0.513 1.00 2.15 H new ATOM 590 N GLY A 39 -0.050 10.854 1.562 1.00 1.67 N ATOM 591 CA GLY A 39 -0.114 12.265 1.876 1.00 1.82 C ATOM 592 C GLY A 39 -1.483 12.604 2.458 1.00 1.81 C ATOM 593 O GLY A 39 -1.584 13.024 3.607 1.00 2.40 O ATOM 0 H GLY A 39 0.437 10.302 2.268 1.00 1.67 H new ATOM 0 HA2 GLY A 39 0.669 12.524 2.589 1.00 1.82 H new ATOM 0 HA3 GLY A 39 0.066 12.855 0.977 1.00 1.82 H new ATOM 597 N ALA A 40 -2.536 12.389 1.667 1.00 1.75 N ATOM 598 CA ALA A 40 -3.917 12.588 2.080 1.00 1.82 C ATOM 599 C ALA A 40 -4.831 11.844 1.108 1.00 1.77 C ATOM 600 O ALA A 40 -5.617 12.470 0.399 1.00 2.63 O ATOM 601 CB ALA A 40 -4.233 14.090 2.108 1.00 2.47 C ATOM 0 H ALA A 40 -2.446 12.066 0.704 1.00 1.75 H new ATOM 0 HA ALA A 40 -4.078 12.194 3.083 1.00 1.82 H new ATOM 0 HB1 ALA A 40 -5.268 14.238 2.417 1.00 2.47 H new ATOM 0 HB2 ALA A 40 -3.568 14.589 2.813 1.00 2.47 H new ATOM 0 HB3 ALA A 40 -4.088 14.511 1.113 1.00 2.47 H new ATOM 607 N SER A 41 -4.706 10.515 1.020 1.00 1.29 N ATOM 608 CA SER A 41 -5.463 9.721 0.059 1.00 1.73 C ATOM 609 C SER A 41 -5.617 8.263 0.526 1.00 1.07 C ATOM 610 O SER A 41 -6.148 8.030 1.612 1.00 0.89 O ATOM 611 CB SER A 41 -4.877 9.901 -1.356 1.00 2.63 C ATOM 612 OG SER A 41 -5.272 11.126 -1.937 1.00 3.32 O ATOM 0 H SER A 41 -4.080 9.967 1.611 1.00 1.29 H new ATOM 0 HA SER A 41 -6.488 10.088 0.001 1.00 1.73 H new ATOM 0 HB2 SER A 41 -3.789 9.857 -1.307 1.00 2.63 H new ATOM 0 HB3 SER A 41 -5.201 9.077 -1.991 1.00 2.63 H new ATOM 0 HG SER A 41 -5.591 11.732 -1.236 1.00 3.32 H new ATOM 618 N LYS A 42 -5.292 7.286 -0.327 1.00 0.92 N ATOM 619 CA LYS A 42 -5.656 5.889 -0.172 1.00 0.53 C ATOM 620 C LYS A 42 -4.788 4.987 -1.056 1.00 0.62 C ATOM 621 O LYS A 42 -4.295 5.423 -2.097 1.00 1.17 O ATOM 622 CB LYS A 42 -7.163 5.731 -0.413 1.00 0.83 C ATOM 623 CG LYS A 42 -7.663 6.382 -1.717 1.00 1.35 C ATOM 624 CD LYS A 42 -8.921 7.228 -1.482 1.00 1.95 C ATOM 625 CE LYS A 42 -10.100 6.386 -0.953 1.00 3.16 C ATOM 626 NZ LYS A 42 -11.336 7.178 -0.771 1.00 4.08 N ATOM 0 H LYS A 42 -4.749 7.461 -1.172 1.00 0.92 H new ATOM 0 HA LYS A 42 -5.456 5.561 0.848 1.00 0.53 H new ATOM 0 HB2 LYS A 42 -7.408 4.669 -0.433 1.00 0.83 H new ATOM 0 HB3 LYS A 42 -7.702 6.167 0.428 1.00 0.83 H new ATOM 0 HG2 LYS A 42 -6.876 7.009 -2.136 1.00 1.35 H new ATOM 0 HG3 LYS A 42 -7.878 5.606 -2.452 1.00 1.35 H new ATOM 0 HD2 LYS A 42 -8.695 8.021 -0.770 1.00 1.95 H new ATOM 0 HD3 LYS A 42 -9.212 7.711 -2.415 1.00 1.95 H new ATOM 0 HE2 LYS A 42 -10.297 5.569 -1.647 1.00 3.16 H new ATOM 0 HE3 LYS A 42 -9.820 5.935 -0.001 1.00 3.16 H new ATOM 0 HZ1 LYS A 42 -12.094 6.562 -0.414 1.00 4.08 H new ATOM 0 HZ2 LYS A 42 -11.161 7.942 -0.088 1.00 4.08 H new ATOM 0 HZ3 LYS A 42 -11.623 7.588 -1.683 1.00 4.08 H new ATOM 640 N ILE A 43 -4.621 3.724 -0.656 1.00 0.22 N ATOM 641 CA ILE A 43 -3.888 2.707 -1.401 1.00 0.24 C ATOM 642 C ILE A 43 -4.883 1.732 -2.036 1.00 0.26 C ATOM 643 O ILE A 43 -5.658 1.089 -1.330 1.00 0.27 O ATOM 644 CB ILE A 43 -2.797 2.066 -0.507 1.00 0.23 C ATOM 645 CG1 ILE A 43 -1.964 0.959 -1.181 1.00 0.35 C ATOM 646 CG2 ILE A 43 -3.308 1.578 0.849 1.00 0.23 C ATOM 647 CD1 ILE A 43 -2.584 -0.438 -1.200 1.00 0.79 C ATOM 0 H ILE A 43 -5.005 3.374 0.222 1.00 0.22 H new ATOM 0 HA ILE A 43 -3.334 3.143 -2.232 1.00 0.24 H new ATOM 0 HB ILE A 43 -2.126 2.907 -0.335 1.00 0.23 H new ATOM 0 HG12 ILE A 43 -1.765 1.259 -2.210 1.00 0.35 H new ATOM 0 HG13 ILE A 43 -1.001 0.899 -0.674 1.00 0.35 H new ATOM 0 HG21 ILE A 43 -2.483 1.143 1.413 1.00 0.23 H new ATOM 0 HG22 ILE A 43 -3.725 2.418 1.405 1.00 0.23 H new ATOM 0 HG23 ILE A 43 -4.081 0.825 0.697 1.00 0.23 H new ATOM 0 HD11 ILE A 43 -1.906 -1.130 -1.700 1.00 0.79 H new ATOM 0 HD12 ILE A 43 -2.756 -0.773 -0.177 1.00 0.79 H new ATOM 0 HD13 ILE A 43 -3.532 -0.408 -1.737 1.00 0.79 H new ATOM 659 N THR A 44 -4.897 1.658 -3.371 1.00 0.31 N ATOM 660 CA THR A 44 -5.675 0.692 -4.139 1.00 0.35 C ATOM 661 C THR A 44 -4.832 -0.545 -4.392 1.00 0.40 C ATOM 662 O THR A 44 -3.644 -0.425 -4.688 1.00 0.43 O ATOM 663 CB THR A 44 -6.141 1.305 -5.469 1.00 0.42 C ATOM 664 OG1 THR A 44 -6.818 2.496 -5.176 1.00 0.42 O ATOM 665 CG2 THR A 44 -7.072 0.389 -6.271 1.00 0.51 C ATOM 0 H THR A 44 -4.351 2.288 -3.959 1.00 0.31 H new ATOM 0 HA THR A 44 -6.561 0.414 -3.568 1.00 0.35 H new ATOM 0 HB THR A 44 -5.258 1.469 -6.087 1.00 0.42 H new ATOM 0 HG1 THR A 44 -7.126 2.911 -6.009 1.00 0.42 H new ATOM 0 HG21 THR A 44 -7.361 0.885 -7.197 1.00 0.51 H new ATOM 0 HG22 THR A 44 -6.554 -0.541 -6.504 1.00 0.51 H new ATOM 0 HG23 THR A 44 -7.963 0.171 -5.683 1.00 0.51 H new ATOM 673 N VAL A 45 -5.469 -1.710 -4.317 1.00 0.43 N ATOM 674 CA VAL A 45 -4.963 -2.985 -4.782 1.00 0.41 C ATOM 675 C VAL A 45 -5.975 -3.507 -5.796 1.00 0.44 C ATOM 676 O VAL A 45 -7.180 -3.263 -5.685 1.00 0.43 O ATOM 677 CB VAL A 45 -4.791 -3.929 -3.583 1.00 0.44 C ATOM 678 CG1 VAL A 45 -4.811 -5.412 -3.965 1.00 0.57 C ATOM 679 CG2 VAL A 45 -3.465 -3.627 -2.879 1.00 0.68 C ATOM 0 H VAL A 45 -6.400 -1.787 -3.908 1.00 0.43 H new ATOM 0 HA VAL A 45 -3.985 -2.902 -5.256 1.00 0.41 H new ATOM 0 HB VAL A 45 -5.643 -3.749 -2.927 1.00 0.44 H new ATOM 0 HG11 VAL A 45 -4.684 -6.020 -3.069 1.00 0.57 H new ATOM 0 HG12 VAL A 45 -5.764 -5.654 -4.436 1.00 0.57 H new ATOM 0 HG13 VAL A 45 -3.999 -5.619 -4.662 1.00 0.57 H new ATOM 0 HG21 VAL A 45 -3.344 -4.297 -2.028 1.00 0.68 H new ATOM 0 HG22 VAL A 45 -2.641 -3.774 -3.577 1.00 0.68 H new ATOM 0 HG23 VAL A 45 -3.465 -2.594 -2.530 1.00 0.68 H new ATOM 689 N THR A 46 -5.487 -4.203 -6.816 1.00 0.49 N ATOM 690 CA THR A 46 -6.284 -4.860 -7.823 1.00 0.56 C ATOM 691 C THR A 46 -5.555 -6.115 -8.221 1.00 0.60 C ATOM 692 O THR A 46 -4.338 -6.134 -8.371 1.00 0.85 O ATOM 693 CB THR A 46 -6.510 -3.923 -9.015 1.00 0.60 C ATOM 694 OG1 THR A 46 -7.313 -2.891 -8.516 1.00 0.62 O ATOM 695 CG2 THR A 46 -7.240 -4.581 -10.189 1.00 0.68 C ATOM 0 H THR A 46 -4.485 -4.325 -6.962 1.00 0.49 H new ATOM 0 HA THR A 46 -7.272 -5.118 -7.441 1.00 0.56 H new ATOM 0 HB THR A 46 -5.546 -3.599 -9.407 1.00 0.60 H new ATOM 0 HG1 THR A 46 -7.499 -2.246 -9.230 1.00 0.62 H new ATOM 0 HG21 THR A 46 -7.363 -3.856 -10.994 1.00 0.68 H new ATOM 0 HG22 THR A 46 -6.658 -5.429 -10.550 1.00 0.68 H new ATOM 0 HG23 THR A 46 -8.220 -4.927 -9.860 1.00 0.68 H new ATOM 703 N GLY A 47 -6.306 -7.182 -8.391 1.00 0.66 N ATOM 704 CA GLY A 47 -5.741 -8.413 -8.874 1.00 0.70 C ATOM 705 C GLY A 47 -6.410 -9.564 -8.139 1.00 0.64 C ATOM 706 O GLY A 47 -7.475 -10.022 -8.542 1.00 0.74 O ATOM 0 H GLY A 47 -7.307 -7.217 -8.201 1.00 0.66 H new ATOM 0 HA2 GLY A 47 -5.897 -8.507 -9.949 1.00 0.70 H new ATOM 0 HA3 GLY A 47 -4.664 -8.429 -8.705 1.00 0.70 H new ATOM 710 N GLU A 48 -5.781 -9.965 -7.026 1.00 0.54 N ATOM 711 CA GLU A 48 -6.198 -11.048 -6.141 1.00 0.43 C ATOM 712 C GLU A 48 -5.340 -11.035 -4.864 1.00 0.39 C ATOM 713 O GLU A 48 -4.657 -12.008 -4.551 1.00 0.50 O ATOM 714 CB GLU A 48 -6.158 -12.396 -6.891 1.00 0.45 C ATOM 715 CG GLU A 48 -7.123 -13.420 -6.280 1.00 0.59 C ATOM 716 CD GLU A 48 -7.143 -14.704 -7.099 1.00 1.26 C ATOM 717 OE1 GLU A 48 -7.963 -14.763 -8.041 1.00 2.20 O ATOM 718 OE2 GLU A 48 -6.330 -15.596 -6.778 1.00 2.06 O ATOM 0 H GLU A 48 -4.923 -9.515 -6.707 1.00 0.54 H new ATOM 0 HA GLU A 48 -7.232 -10.902 -5.829 1.00 0.43 H new ATOM 0 HB2 GLU A 48 -6.414 -12.236 -7.938 1.00 0.45 H new ATOM 0 HB3 GLU A 48 -5.144 -12.794 -6.868 1.00 0.45 H new ATOM 0 HG2 GLU A 48 -6.823 -13.642 -5.256 1.00 0.59 H new ATOM 0 HG3 GLU A 48 -8.127 -12.997 -6.234 1.00 0.59 H new ATOM 725 N ALA A 49 -5.343 -9.920 -4.118 1.00 0.43 N ATOM 726 CA ALA A 49 -4.672 -9.834 -2.823 1.00 0.43 C ATOM 727 C ALA A 49 -5.340 -8.796 -1.915 1.00 0.39 C ATOM 728 O ALA A 49 -6.077 -7.936 -2.393 1.00 0.37 O ATOM 729 CB ALA A 49 -3.192 -9.504 -3.035 1.00 0.51 C ATOM 0 H ALA A 49 -5.811 -9.058 -4.399 1.00 0.43 H new ATOM 0 HA ALA A 49 -4.755 -10.799 -2.323 1.00 0.43 H new ATOM 0 HB1 ALA A 49 -2.692 -9.440 -2.069 1.00 0.51 H new ATOM 0 HB2 ALA A 49 -2.727 -10.287 -3.633 1.00 0.51 H new ATOM 0 HB3 ALA A 49 -3.103 -8.550 -3.554 1.00 0.51 H new ATOM 735 N SER A 50 -5.060 -8.880 -0.609 1.00 0.48 N ATOM 736 CA SER A 50 -5.579 -8.018 0.444 1.00 0.51 C ATOM 737 C SER A 50 -4.466 -7.119 0.983 1.00 0.35 C ATOM 738 O SER A 50 -3.288 -7.384 0.731 1.00 0.32 O ATOM 739 CB SER A 50 -6.095 -8.903 1.582 1.00 0.61 C ATOM 740 OG SER A 50 -7.139 -9.735 1.119 1.00 0.94 O ATOM 0 H SER A 50 -4.429 -9.594 -0.245 1.00 0.48 H new ATOM 0 HA SER A 50 -6.379 -7.395 0.045 1.00 0.51 H new ATOM 0 HB2 SER A 50 -5.282 -9.513 1.975 1.00 0.61 H new ATOM 0 HB3 SER A 50 -6.453 -8.281 2.402 1.00 0.61 H new ATOM 0 HG SER A 50 -7.460 -10.297 1.855 1.00 0.94 H new ATOM 746 N ILE A 51 -4.821 -6.098 1.780 1.00 0.39 N ATOM 747 CA ILE A 51 -3.847 -5.193 2.359 1.00 0.34 C ATOM 748 C ILE A 51 -2.743 -5.943 3.082 1.00 0.29 C ATOM 749 O ILE A 51 -1.621 -5.490 2.998 1.00 0.34 O ATOM 750 CB ILE A 51 -4.480 -4.119 3.267 1.00 0.45 C ATOM 751 CG1 ILE A 51 -3.496 -2.976 3.488 1.00 0.59 C ATOM 752 CG2 ILE A 51 -4.927 -4.679 4.624 1.00 0.56 C ATOM 753 CD1 ILE A 51 -3.370 -2.084 2.250 1.00 1.53 C ATOM 0 H ILE A 51 -5.787 -5.888 2.032 1.00 0.39 H new ATOM 0 HA ILE A 51 -3.400 -4.661 1.519 1.00 0.34 H new ATOM 0 HB ILE A 51 -5.371 -3.756 2.754 1.00 0.45 H new ATOM 0 HG12 ILE A 51 -3.822 -2.375 4.337 1.00 0.59 H new ATOM 0 HG13 ILE A 51 -2.518 -3.383 3.743 1.00 0.59 H new ATOM 0 HG21 ILE A 51 -5.365 -3.879 5.221 1.00 0.56 H new ATOM 0 HG22 ILE A 51 -5.668 -5.463 4.468 1.00 0.56 H new ATOM 0 HG23 ILE A 51 -4.066 -5.093 5.148 1.00 0.56 H new ATOM 0 HD11 ILE A 51 -2.659 -1.282 2.450 1.00 1.53 H new ATOM 0 HD12 ILE A 51 -3.018 -2.679 1.407 1.00 1.53 H new ATOM 0 HD13 ILE A 51 -4.343 -1.655 2.010 1.00 1.53 H new ATOM 765 N GLN A 52 -3.034 -7.069 3.740 1.00 0.37 N ATOM 766 CA GLN A 52 -2.064 -7.936 4.415 1.00 0.53 C ATOM 767 C GLN A 52 -0.665 -7.874 3.773 1.00 0.52 C ATOM 768 O GLN A 52 0.335 -7.606 4.438 1.00 0.61 O ATOM 769 CB GLN A 52 -2.590 -9.379 4.354 1.00 0.69 C ATOM 770 CG GLN A 52 -3.816 -9.631 5.243 1.00 0.86 C ATOM 771 CD GLN A 52 -3.452 -9.676 6.726 1.00 1.65 C ATOM 772 OE1 GLN A 52 -2.541 -10.392 7.122 1.00 2.36 O ATOM 773 NE2 GLN A 52 -4.159 -8.924 7.564 1.00 2.28 N ATOM 0 H GLN A 52 -3.990 -7.415 3.820 1.00 0.37 H new ATOM 0 HA GLN A 52 -1.956 -7.592 5.444 1.00 0.53 H new ATOM 0 HB2 GLN A 52 -2.846 -9.619 3.322 1.00 0.69 H new ATOM 0 HB3 GLN A 52 -1.792 -10.059 4.651 1.00 0.69 H new ATOM 0 HG2 GLN A 52 -4.553 -8.845 5.075 1.00 0.86 H new ATOM 0 HG3 GLN A 52 -4.283 -10.573 4.956 1.00 0.86 H new ATOM 0 HE21 GLN A 52 -4.913 -8.336 7.209 1.00 2.28 H new ATOM 0 HE22 GLN A 52 -3.947 -8.935 8.562 1.00 2.28 H new ATOM 782 N GLN A 53 -0.614 -8.089 2.458 1.00 0.49 N ATOM 783 CA GLN A 53 0.630 -8.090 1.693 1.00 0.64 C ATOM 784 C GLN A 53 1.332 -6.719 1.755 1.00 0.55 C ATOM 785 O GLN A 53 2.538 -6.618 1.973 1.00 0.68 O ATOM 786 CB GLN A 53 0.301 -8.492 0.253 1.00 0.77 C ATOM 787 CG GLN A 53 -0.326 -9.897 0.199 1.00 0.90 C ATOM 788 CD GLN A 53 0.593 -10.919 -0.461 1.00 0.98 C ATOM 789 OE1 GLN A 53 1.720 -11.120 -0.024 1.00 2.17 O ATOM 790 NE2 GLN A 53 0.121 -11.573 -1.517 1.00 1.32 N ATOM 0 H GLN A 53 -1.442 -8.269 1.891 1.00 0.49 H new ATOM 0 HA GLN A 53 1.329 -8.807 2.123 1.00 0.64 H new ATOM 0 HB2 GLN A 53 -0.386 -7.767 -0.182 1.00 0.77 H new ATOM 0 HB3 GLN A 53 1.209 -8.472 -0.350 1.00 0.77 H new ATOM 0 HG2 GLN A 53 -0.563 -10.225 1.211 1.00 0.90 H new ATOM 0 HG3 GLN A 53 -1.267 -9.851 -0.349 1.00 0.90 H new ATOM 0 HE21 GLN A 53 -0.822 -11.382 -1.856 1.00 1.32 H new ATOM 0 HE22 GLN A 53 0.702 -12.266 -1.989 1.00 1.32 H new ATOM 799 N VAL A 54 0.560 -5.650 1.559 1.00 0.36 N ATOM 800 CA VAL A 54 1.013 -4.267 1.614 1.00 0.30 C ATOM 801 C VAL A 54 1.354 -3.860 3.051 1.00 0.28 C ATOM 802 O VAL A 54 2.300 -3.112 3.268 1.00 0.29 O ATOM 803 CB VAL A 54 -0.059 -3.343 1.003 1.00 0.29 C ATOM 804 CG1 VAL A 54 0.456 -1.900 0.920 1.00 0.32 C ATOM 805 CG2 VAL A 54 -0.515 -3.873 -0.365 1.00 0.37 C ATOM 0 H VAL A 54 -0.435 -5.731 1.350 1.00 0.36 H new ATOM 0 HA VAL A 54 1.926 -4.168 1.027 1.00 0.30 H new ATOM 0 HB VAL A 54 -0.932 -3.338 1.655 1.00 0.29 H new ATOM 0 HG11 VAL A 54 -0.315 -1.263 0.486 1.00 0.32 H new ATOM 0 HG12 VAL A 54 0.701 -1.543 1.920 1.00 0.32 H new ATOM 0 HG13 VAL A 54 1.348 -1.867 0.294 1.00 0.32 H new ATOM 0 HG21 VAL A 54 -1.272 -3.207 -0.779 1.00 0.37 H new ATOM 0 HG22 VAL A 54 0.339 -3.917 -1.041 1.00 0.37 H new ATOM 0 HG23 VAL A 54 -0.936 -4.871 -0.246 1.00 0.37 H new ATOM 815 N GLU A 55 0.588 -4.331 4.033 1.00 0.34 N ATOM 816 CA GLU A 55 0.792 -4.094 5.446 1.00 0.40 C ATOM 817 C GLU A 55 2.178 -4.618 5.830 1.00 0.35 C ATOM 818 O GLU A 55 2.989 -3.879 6.388 1.00 0.30 O ATOM 819 CB GLU A 55 -0.367 -4.754 6.210 1.00 0.57 C ATOM 820 CG GLU A 55 -0.485 -4.267 7.656 1.00 0.78 C ATOM 821 CD GLU A 55 0.121 -5.244 8.658 1.00 2.11 C ATOM 822 OE1 GLU A 55 1.225 -5.749 8.364 1.00 3.30 O ATOM 823 OE2 GLU A 55 -0.546 -5.481 9.687 1.00 2.82 O ATOM 0 H GLU A 55 -0.228 -4.915 3.848 1.00 0.34 H new ATOM 0 HA GLU A 55 0.780 -3.035 5.705 1.00 0.40 H new ATOM 0 HB2 GLU A 55 -1.302 -4.551 5.687 1.00 0.57 H new ATOM 0 HB3 GLU A 55 -0.228 -5.835 6.207 1.00 0.57 H new ATOM 0 HG2 GLU A 55 0.011 -3.301 7.751 1.00 0.78 H new ATOM 0 HG3 GLU A 55 -1.536 -4.111 7.898 1.00 0.78 H new ATOM 830 N GLN A 56 2.485 -5.856 5.416 1.00 0.47 N ATOM 831 CA GLN A 56 3.803 -6.443 5.600 1.00 0.59 C ATOM 832 C GLN A 56 4.895 -5.498 5.086 1.00 0.52 C ATOM 833 O GLN A 56 5.854 -5.230 5.803 1.00 0.52 O ATOM 834 CB GLN A 56 3.848 -7.837 4.956 1.00 0.80 C ATOM 835 CG GLN A 56 5.101 -8.644 5.336 1.00 1.05 C ATOM 836 CD GLN A 56 6.234 -8.544 4.313 1.00 2.75 C ATOM 837 OE1 GLN A 56 6.423 -7.527 3.657 1.00 3.93 O ATOM 838 NE2 GLN A 56 7.005 -9.617 4.153 1.00 3.61 N ATOM 0 H GLN A 56 1.821 -6.471 4.946 1.00 0.47 H new ATOM 0 HA GLN A 56 4.001 -6.579 6.663 1.00 0.59 H new ATOM 0 HB2 GLN A 56 2.961 -8.396 5.254 1.00 0.80 H new ATOM 0 HB3 GLN A 56 3.808 -7.730 3.872 1.00 0.80 H new ATOM 0 HG2 GLN A 56 5.466 -8.297 6.303 1.00 1.05 H new ATOM 0 HG3 GLN A 56 4.824 -9.691 5.457 1.00 1.05 H new ATOM 0 HE21 GLN A 56 6.833 -10.456 4.708 1.00 3.61 H new ATOM 0 HE22 GLN A 56 7.767 -9.601 3.476 1.00 3.61 H new ATOM 847 N ALA A 57 4.744 -4.949 3.875 1.00 0.56 N ATOM 848 CA ALA A 57 5.666 -3.928 3.390 1.00 0.64 C ATOM 849 C ALA A 57 5.682 -2.718 4.332 1.00 0.54 C ATOM 850 O ALA A 57 6.747 -2.290 4.775 1.00 0.62 O ATOM 851 CB ALA A 57 5.319 -3.520 1.957 1.00 0.77 C ATOM 0 H ALA A 57 3.999 -5.194 3.223 1.00 0.56 H new ATOM 0 HA ALA A 57 6.671 -4.349 3.378 1.00 0.64 H new ATOM 0 HB1 ALA A 57 6.020 -2.758 1.616 1.00 0.77 H new ATOM 0 HB2 ALA A 57 5.385 -4.391 1.305 1.00 0.77 H new ATOM 0 HB3 ALA A 57 4.305 -3.120 1.928 1.00 0.77 H new ATOM 857 N GLY A 58 4.498 -2.189 4.654 1.00 0.44 N ATOM 858 CA GLY A 58 4.269 -1.048 5.517 1.00 0.51 C ATOM 859 C GLY A 58 4.953 -1.200 6.871 1.00 0.44 C ATOM 860 O GLY A 58 5.316 -0.195 7.477 1.00 0.39 O ATOM 0 H GLY A 58 3.627 -2.577 4.292 1.00 0.44 H new ATOM 0 HA2 GLY A 58 4.635 -0.146 5.027 1.00 0.51 H new ATOM 0 HA3 GLY A 58 3.197 -0.918 5.666 1.00 0.51 H new ATOM 864 N ALA A 59 5.185 -2.434 7.328 1.00 0.46 N ATOM 865 CA ALA A 59 6.003 -2.715 8.498 1.00 0.45 C ATOM 866 C ALA A 59 7.300 -1.898 8.516 1.00 0.46 C ATOM 867 O ALA A 59 7.743 -1.533 9.599 1.00 0.54 O ATOM 868 CB ALA A 59 6.310 -4.209 8.611 1.00 0.51 C ATOM 0 H ALA A 59 4.803 -3.271 6.887 1.00 0.46 H new ATOM 0 HA ALA A 59 5.418 -2.412 9.366 1.00 0.45 H new ATOM 0 HB1 ALA A 59 6.923 -4.389 9.494 1.00 0.51 H new ATOM 0 HB2 ALA A 59 5.377 -4.767 8.697 1.00 0.51 H new ATOM 0 HB3 ALA A 59 6.849 -4.538 7.723 1.00 0.51 H new ATOM 874 N PHE A 60 7.892 -1.566 7.359 1.00 0.43 N ATOM 875 CA PHE A 60 9.088 -0.721 7.322 1.00 0.44 C ATOM 876 C PHE A 60 8.923 0.615 8.069 1.00 0.43 C ATOM 877 O PHE A 60 9.898 1.115 8.622 1.00 0.48 O ATOM 878 CB PHE A 60 9.614 -0.524 5.888 1.00 0.46 C ATOM 879 CG PHE A 60 8.991 0.579 5.043 1.00 0.53 C ATOM 880 CD1 PHE A 60 7.600 0.632 4.851 1.00 1.80 C ATOM 881 CD2 PHE A 60 9.813 1.478 4.333 1.00 1.91 C ATOM 882 CE1 PHE A 60 7.040 1.487 3.892 1.00 1.70 C ATOM 883 CE2 PHE A 60 9.250 2.369 3.401 1.00 2.13 C ATOM 884 CZ PHE A 60 7.866 2.356 3.161 1.00 0.91 C ATOM 0 H PHE A 60 7.562 -1.869 6.443 1.00 0.43 H new ATOM 0 HA PHE A 60 9.851 -1.270 7.873 1.00 0.44 H new ATOM 0 HB2 PHE A 60 10.685 -0.333 5.949 1.00 0.46 H new ATOM 0 HB3 PHE A 60 9.488 -1.466 5.354 1.00 0.46 H new ATOM 0 HD1 PHE A 60 6.955 0.006 5.450 1.00 1.80 H new ATOM 0 HD2 PHE A 60 10.879 1.483 4.505 1.00 1.91 H new ATOM 0 HE1 PHE A 60 5.975 1.477 3.715 1.00 1.70 H new ATOM 0 HE2 PHE A 60 9.883 3.064 2.869 1.00 2.13 H new ATOM 0 HZ PHE A 60 7.439 3.012 2.417 1.00 0.91 H new ATOM 894 N GLU A 61 7.707 1.177 8.077 1.00 0.40 N ATOM 895 CA GLU A 61 7.368 2.445 8.726 1.00 0.41 C ATOM 896 C GLU A 61 6.173 2.303 9.694 1.00 0.44 C ATOM 897 O GLU A 61 5.766 3.282 10.311 1.00 0.61 O ATOM 898 CB GLU A 61 7.118 3.500 7.626 1.00 0.42 C ATOM 899 CG GLU A 61 8.201 4.589 7.543 1.00 0.84 C ATOM 900 CD GLU A 61 7.770 5.864 8.256 1.00 1.45 C ATOM 901 OE1 GLU A 61 6.855 6.524 7.714 1.00 2.60 O ATOM 902 OE2 GLU A 61 8.362 6.159 9.316 1.00 2.59 O ATOM 0 H GLU A 61 6.907 0.745 7.615 1.00 0.40 H new ATOM 0 HA GLU A 61 8.200 2.770 9.351 1.00 0.41 H new ATOM 0 HB2 GLU A 61 7.051 2.995 6.662 1.00 0.42 H new ATOM 0 HB3 GLU A 61 6.153 3.975 7.805 1.00 0.42 H new ATOM 0 HG2 GLU A 61 9.125 4.218 7.986 1.00 0.84 H new ATOM 0 HG3 GLU A 61 8.415 4.811 6.498 1.00 0.84 H new ATOM 909 N HIS A 62 5.609 1.096 9.840 1.00 0.37 N ATOM 910 CA HIS A 62 4.512 0.776 10.752 1.00 0.40 C ATOM 911 C HIS A 62 3.252 1.598 10.443 1.00 0.38 C ATOM 912 O HIS A 62 2.735 2.297 11.317 1.00 0.42 O ATOM 913 CB HIS A 62 4.950 0.940 12.222 1.00 0.45 C ATOM 914 CG HIS A 62 6.099 0.071 12.675 1.00 0.72 C ATOM 915 ND1 HIS A 62 6.672 -0.973 11.988 1.00 0.86 N ATOM 916 CD2 HIS A 62 6.718 0.139 13.895 1.00 1.16 C ATOM 917 CE1 HIS A 62 7.610 -1.522 12.778 1.00 1.33 C ATOM 918 NE2 HIS A 62 7.674 -0.880 13.955 1.00 1.54 N ATOM 0 H HIS A 62 5.920 0.287 9.303 1.00 0.37 H new ATOM 0 HA HIS A 62 4.252 -0.271 10.596 1.00 0.40 H new ATOM 0 HB2 HIS A 62 5.224 1.983 12.384 1.00 0.45 H new ATOM 0 HB3 HIS A 62 4.091 0.733 12.861 1.00 0.45 H new ATOM 0 HD1 HIS A 62 6.428 -1.277 11.045 1.00 0.86 H new ATOM 0 HD2 HIS A 62 6.505 0.855 14.675 1.00 1.16 H new ATOM 0 HE1 HIS A 62 8.228 -2.364 12.504 1.00 1.33 H new ATOM 926 N LEU A 63 2.729 1.517 9.212 1.00 0.39 N ATOM 927 CA LEU A 63 1.561 2.320 8.851 1.00 0.41 C ATOM 928 C LEU A 63 0.252 1.645 9.255 1.00 0.41 C ATOM 929 O LEU A 63 0.210 0.442 9.501 1.00 0.66 O ATOM 930 CB LEU A 63 1.577 2.685 7.366 1.00 0.57 C ATOM 931 CG LEU A 63 2.808 3.500 6.941 1.00 0.60 C ATOM 932 CD1 LEU A 63 3.224 4.558 7.972 1.00 1.34 C ATOM 933 CD2 LEU A 63 4.015 2.619 6.600 1.00 0.94 C ATOM 0 H LEU A 63 3.088 0.918 8.468 1.00 0.39 H new ATOM 0 HA LEU A 63 1.620 3.249 9.418 1.00 0.41 H new ATOM 0 HB2 LEU A 63 1.538 1.769 6.776 1.00 0.57 H new ATOM 0 HB3 LEU A 63 0.677 3.254 7.132 1.00 0.57 H new ATOM 0 HG LEU A 63 2.488 4.018 6.037 1.00 0.60 H new ATOM 0 HD11 LEU A 63 4.099 5.096 7.608 1.00 1.34 H new ATOM 0 HD12 LEU A 63 2.404 5.260 8.124 1.00 1.34 H new ATOM 0 HD13 LEU A 63 3.465 4.071 8.917 1.00 1.34 H new ATOM 0 HD21 LEU A 63 4.854 3.249 6.307 1.00 0.94 H new ATOM 0 HD22 LEU A 63 4.292 2.028 7.473 1.00 0.94 H new ATOM 0 HD23 LEU A 63 3.758 1.952 5.777 1.00 0.94 H new ATOM 945 N LYS A 64 -0.818 2.444 9.340 1.00 0.42 N ATOM 946 CA LYS A 64 -2.099 2.044 9.907 1.00 0.46 C ATOM 947 C LYS A 64 -3.145 2.107 8.799 1.00 0.46 C ATOM 948 O LYS A 64 -3.975 3.013 8.766 1.00 0.98 O ATOM 949 CB LYS A 64 -2.450 2.915 11.133 1.00 0.60 C ATOM 950 CG LYS A 64 -2.171 4.419 10.953 1.00 0.64 C ATOM 951 CD LYS A 64 -0.716 4.771 11.317 1.00 1.92 C ATOM 952 CE LYS A 64 -0.541 5.237 12.769 1.00 2.61 C ATOM 953 NZ LYS A 64 -0.757 6.690 12.916 1.00 3.65 N ATOM 0 H LYS A 64 -0.811 3.408 9.007 1.00 0.42 H new ATOM 0 HA LYS A 64 -2.060 1.021 10.281 1.00 0.46 H new ATOM 0 HB2 LYS A 64 -3.506 2.780 11.367 1.00 0.60 H new ATOM 0 HB3 LYS A 64 -1.884 2.554 11.992 1.00 0.60 H new ATOM 0 HG2 LYS A 64 -2.368 4.706 9.920 1.00 0.64 H new ATOM 0 HG3 LYS A 64 -2.853 4.994 11.579 1.00 0.64 H new ATOM 0 HD2 LYS A 64 -0.086 3.898 11.146 1.00 1.92 H new ATOM 0 HD3 LYS A 64 -0.362 5.555 10.648 1.00 1.92 H new ATOM 0 HE2 LYS A 64 -1.242 4.700 13.408 1.00 2.61 H new ATOM 0 HE3 LYS A 64 0.462 4.984 13.112 1.00 2.61 H new ATOM 0 HZ1 LYS A 64 -0.629 6.961 13.912 1.00 3.65 H new ATOM 0 HZ2 LYS A 64 -0.072 7.204 12.326 1.00 3.65 H new ATOM 0 HZ3 LYS A 64 -1.723 6.930 12.613 1.00 3.65 H new ATOM 967 N ILE A 65 -3.076 1.154 7.868 1.00 0.29 N ATOM 968 CA ILE A 65 -3.947 1.154 6.701 1.00 0.28 C ATOM 969 C ILE A 65 -5.299 0.544 7.082 1.00 0.32 C ATOM 970 O ILE A 65 -5.363 -0.609 7.502 1.00 0.51 O ATOM 971 CB ILE A 65 -3.316 0.428 5.496 1.00 0.30 C ATOM 972 CG1 ILE A 65 -1.807 0.710 5.386 1.00 0.36 C ATOM 973 CG2 ILE A 65 -4.112 0.782 4.235 1.00 0.29 C ATOM 974 CD1 ILE A 65 -1.158 0.665 4.006 1.00 0.64 C ATOM 0 H ILE A 65 -2.422 0.372 7.904 1.00 0.29 H new ATOM 0 HA ILE A 65 -4.095 2.186 6.382 1.00 0.28 H new ATOM 0 HB ILE A 65 -3.379 -0.651 5.633 1.00 0.30 H new ATOM 0 HG12 ILE A 65 -1.623 1.698 5.807 1.00 0.36 H new ATOM 0 HG13 ILE A 65 -1.288 -0.009 6.020 1.00 0.36 H new ATOM 0 HG21 ILE A 65 -3.676 0.274 3.375 1.00 0.29 H new ATOM 0 HG22 ILE A 65 -5.147 0.464 4.357 1.00 0.29 H new ATOM 0 HG23 ILE A 65 -4.080 1.860 4.075 1.00 0.29 H new ATOM 0 HD11 ILE A 65 -0.094 0.885 4.097 1.00 0.64 H new ATOM 0 HD12 ILE A 65 -1.288 -0.328 3.575 1.00 0.64 H new ATOM 0 HD13 ILE A 65 -1.628 1.406 3.359 1.00 0.64 H new ATOM 986 N ILE A 66 -6.375 1.319 6.943 1.00 0.39 N ATOM 987 CA ILE A 66 -7.732 0.930 7.286 1.00 0.42 C ATOM 988 C ILE A 66 -8.453 0.481 6.008 1.00 0.34 C ATOM 989 O ILE A 66 -8.712 1.314 5.131 1.00 0.24 O ATOM 990 CB ILE A 66 -8.459 2.114 7.953 1.00 0.56 C ATOM 991 CG1 ILE A 66 -7.648 2.759 9.095 1.00 0.96 C ATOM 992 CG2 ILE A 66 -9.843 1.674 8.454 1.00 0.58 C ATOM 993 CD1 ILE A 66 -7.192 1.787 10.189 1.00 1.48 C ATOM 0 H ILE A 66 -6.317 2.268 6.575 1.00 0.39 H new ATOM 0 HA ILE A 66 -7.724 0.102 7.995 1.00 0.42 H new ATOM 0 HB ILE A 66 -8.576 2.882 7.188 1.00 0.56 H new ATOM 0 HG12 ILE A 66 -6.769 3.243 8.669 1.00 0.96 H new ATOM 0 HG13 ILE A 66 -8.252 3.542 9.553 1.00 0.96 H new ATOM 0 HG21 ILE A 66 -10.346 2.520 8.923 1.00 0.58 H new ATOM 0 HG22 ILE A 66 -10.438 1.319 7.613 1.00 0.58 H new ATOM 0 HG23 ILE A 66 -9.728 0.871 9.182 1.00 0.58 H new ATOM 0 HD11 ILE A 66 -6.630 2.331 10.948 1.00 1.48 H new ATOM 0 HD12 ILE A 66 -8.064 1.321 10.648 1.00 1.48 H new ATOM 0 HD13 ILE A 66 -6.558 1.017 9.750 1.00 1.48 H new ATOM 1005 N PRO A 67 -8.796 -0.812 5.864 1.00 0.64 N ATOM 1006 CA PRO A 67 -9.555 -1.283 4.723 1.00 0.85 C ATOM 1007 C PRO A 67 -11.015 -0.843 4.833 1.00 0.95 C ATOM 1008 O PRO A 67 -11.879 -1.590 5.286 1.00 1.42 O ATOM 1009 CB PRO A 67 -9.361 -2.801 4.689 1.00 1.39 C ATOM 1010 CG PRO A 67 -9.160 -3.150 6.161 1.00 1.41 C ATOM 1011 CD PRO A 67 -8.410 -1.934 6.708 1.00 0.98 C ATOM 0 HA PRO A 67 -9.212 -0.856 3.780 1.00 0.85 H new ATOM 0 HB2 PRO A 67 -10.228 -3.310 4.267 1.00 1.39 H new ATOM 0 HB3 PRO A 67 -8.499 -3.085 4.085 1.00 1.39 H new ATOM 0 HG2 PRO A 67 -10.111 -3.301 6.673 1.00 1.41 H new ATOM 0 HG3 PRO A 67 -8.584 -4.067 6.283 1.00 1.41 H new ATOM 0 HD2 PRO A 67 -8.674 -1.748 7.749 1.00 0.98 H new ATOM 0 HD3 PRO A 67 -7.332 -2.094 6.676 1.00 0.98 H new ATOM 1019 N GLU A 68 -11.273 0.396 4.410 1.00 0.78 N ATOM 1020 CA GLU A 68 -12.589 0.986 4.288 1.00 1.02 C ATOM 1021 C GLU A 68 -13.545 0.031 3.551 1.00 1.49 C ATOM 1022 O GLU A 68 -13.192 -0.501 2.499 1.00 2.68 O ATOM 1023 CB GLU A 68 -12.416 2.325 3.543 1.00 1.07 C ATOM 1024 CG GLU A 68 -13.438 3.376 3.967 1.00 2.25 C ATOM 1025 CD GLU A 68 -13.138 4.724 3.312 1.00 2.51 C ATOM 1026 OE1 GLU A 68 -13.569 4.932 2.157 1.00 3.01 O ATOM 1027 OE2 GLU A 68 -12.437 5.526 3.968 1.00 3.11 O ATOM 0 H GLU A 68 -10.530 1.037 4.133 1.00 0.78 H new ATOM 0 HA GLU A 68 -13.035 1.164 5.266 1.00 1.02 H new ATOM 0 HB2 GLU A 68 -11.412 2.708 3.723 1.00 1.07 H new ATOM 0 HB3 GLU A 68 -12.503 2.152 2.470 1.00 1.07 H new ATOM 0 HG2 GLU A 68 -14.440 3.047 3.690 1.00 2.25 H new ATOM 0 HG3 GLU A 68 -13.426 3.484 5.052 1.00 2.25 H new ATOM 1034 N LYS A 69 -14.757 -0.153 4.090 1.00 1.62 N ATOM 1035 CA LYS A 69 -15.847 -0.902 3.468 1.00 1.97 C ATOM 1036 C LYS A 69 -15.623 -2.420 3.585 1.00 4.01 C ATOM 1037 O LYS A 69 -15.387 -3.099 2.588 1.00 5.33 O ATOM 1038 CB LYS A 69 -16.073 -0.407 2.023 1.00 3.00 C ATOM 1039 CG LYS A 69 -17.540 -0.411 1.575 1.00 3.83 C ATOM 1040 CD LYS A 69 -18.189 -1.801 1.650 1.00 3.97 C ATOM 1041 CE LYS A 69 -19.526 -1.841 0.899 1.00 5.19 C ATOM 1042 NZ LYS A 69 -19.338 -1.848 -0.566 1.00 6.15 N ATOM 0 H LYS A 69 -15.010 0.230 5.001 1.00 1.62 H new ATOM 0 HA LYS A 69 -16.774 -0.711 4.008 1.00 1.97 H new ATOM 0 HB2 LYS A 69 -15.681 0.606 1.933 1.00 3.00 H new ATOM 0 HB3 LYS A 69 -15.496 -1.033 1.343 1.00 3.00 H new ATOM 0 HG2 LYS A 69 -18.106 0.282 2.198 1.00 3.83 H new ATOM 0 HG3 LYS A 69 -17.602 -0.042 0.551 1.00 3.83 H new ATOM 0 HD2 LYS A 69 -17.511 -2.543 1.228 1.00 3.97 H new ATOM 0 HD3 LYS A 69 -18.349 -2.073 2.693 1.00 3.97 H new ATOM 0 HE2 LYS A 69 -20.083 -2.729 1.197 1.00 5.19 H new ATOM 0 HE3 LYS A 69 -20.127 -0.977 1.183 1.00 5.19 H new ATOM 0 HZ1 LYS A 69 -20.250 -2.028 -1.032 1.00 6.15 H new ATOM 0 HZ2 LYS A 69 -18.969 -0.926 -0.873 1.00 6.15 H new ATOM 0 HZ3 LYS A 69 -18.663 -2.595 -0.826 1.00 6.15 H new ATOM 1056 N GLU A 70 -15.758 -2.947 4.807 1.00 5.18 N ATOM 1057 CA GLU A 70 -15.601 -4.356 5.151 1.00 7.54 C ATOM 1058 C GLU A 70 -16.943 -4.829 5.730 1.00 8.07 C ATOM 1059 O GLU A 70 -17.453 -4.176 6.642 1.00 7.88 O ATOM 1060 CB GLU A 70 -14.446 -4.456 6.168 1.00 9.06 C ATOM 1061 CG GLU A 70 -13.613 -5.738 6.044 1.00 11.01 C ATOM 1062 CD GLU A 70 -14.382 -6.972 6.486 1.00 12.11 C ATOM 1063 OE1 GLU A 70 -15.139 -7.488 5.639 1.00 11.96 O ATOM 1064 OE2 GLU A 70 -14.201 -7.362 7.660 1.00 13.34 O ATOM 0 H GLU A 70 -15.990 -2.372 5.617 1.00 5.18 H new ATOM 0 HA GLU A 70 -15.354 -4.988 4.298 1.00 7.54 H new ATOM 0 HB2 GLU A 70 -13.789 -3.595 6.042 1.00 9.06 H new ATOM 0 HB3 GLU A 70 -14.857 -4.399 7.176 1.00 9.06 H new ATOM 0 HG2 GLU A 70 -13.295 -5.863 5.009 1.00 11.01 H new ATOM 0 HG3 GLU A 70 -12.710 -5.641 6.646 1.00 11.01 H new ATOM 1071 N ALA A 71 -17.547 -5.883 5.169 1.00 9.17 N ATOM 1072 CA ALA A 71 -18.836 -6.450 5.541 1.00 10.03 C ATOM 1073 C ALA A 71 -19.097 -7.644 4.624 1.00 11.12 C ATOM 1074 O ALA A 71 -19.963 -8.470 4.988 1.00 11.80 O ATOM 1075 CB ALA A 71 -19.970 -5.431 5.378 1.00 9.52 C ATOM 1076 OXT ALA A 71 -18.455 -7.678 3.550 1.00 11.60 O ATOM 0 H ALA A 71 -17.117 -6.390 4.395 1.00 9.17 H new ATOM 0 HA ALA A 71 -18.808 -6.747 6.589 1.00 10.03 H new ATOM 0 HB1 ALA A 71 -20.916 -5.890 5.665 1.00 9.52 H new ATOM 0 HB2 ALA A 71 -19.778 -4.568 6.015 1.00 9.52 H new ATOM 0 HB3 ALA A 71 -20.024 -5.110 4.338 1.00 9.52 H new TER 1082 ALA A 71