USER MOD reduce.3.24.130724 H: found=0, std=0, add=532, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 532 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 Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc=-0.000452 X(o=-0.00045,f=0) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0.0818 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -0.0409 X(o=-0.041,f=-0.091) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 HIS : no HD1:sc= -0.197 X(o=-0.2,f=-0.27) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -7.956 -12.820 -13.283 1.00 0.00 N ATOM 2 CA ALA A 1 -7.699 -11.831 -12.206 1.00 0.00 C ATOM 3 C ALA A 1 -7.254 -12.504 -10.897 1.00 0.00 C ATOM 4 O ALA A 1 -6.139 -12.250 -10.433 1.00 0.00 O ATOM 5 CB ALA A 1 -8.900 -10.889 -11.992 1.00 0.00 C ATOM 0 H1 ALA A 1 -8.253 -12.323 -14.147 1.00 0.00 H new ATOM 0 H2 ALA A 1 -7.087 -13.358 -13.475 1.00 0.00 H new ATOM 0 H3 ALA A 1 -8.708 -13.473 -12.983 1.00 0.00 H new ATOM 0 HA ALA A 1 -6.866 -11.212 -12.539 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -8.670 -10.181 -11.195 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -9.104 -10.344 -12.914 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -9.777 -11.474 -11.715 1.00 0.00 H new ATOM 13 N GLY A 2 -8.094 -13.354 -10.290 1.00 0.00 N ATOM 14 CA GLY A 2 -7.839 -14.009 -8.995 1.00 0.00 C ATOM 15 C GLY A 2 -8.376 -13.215 -7.794 1.00 0.00 C ATOM 16 O GLY A 2 -8.771 -12.053 -7.920 1.00 0.00 O ATOM 0 H GLY A 2 -8.994 -13.613 -10.695 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -8.296 -14.999 -9.001 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -6.765 -14.154 -8.875 1.00 0.00 H new ATOM 20 N HIS A 3 -8.386 -13.849 -6.616 1.00 0.00 N ATOM 21 CA HIS A 3 -8.933 -13.315 -5.354 1.00 0.00 C ATOM 22 C HIS A 3 -7.808 -13.080 -4.331 1.00 0.00 C ATOM 23 O HIS A 3 -7.499 -13.957 -3.523 1.00 0.00 O ATOM 24 CB HIS A 3 -10.040 -14.253 -4.820 1.00 0.00 C ATOM 25 CG HIS A 3 -11.326 -14.224 -5.618 1.00 0.00 C ATOM 26 ND1 HIS A 3 -12.545 -13.746 -5.164 1.00 0.00 N ATOM 27 CD2 HIS A 3 -11.507 -14.695 -6.890 1.00 0.00 C ATOM 28 CE1 HIS A 3 -13.442 -13.889 -6.161 1.00 0.00 C ATOM 29 NE2 HIS A 3 -12.834 -14.467 -7.219 1.00 0.00 N ATOM 0 H HIS A 3 -7.999 -14.786 -6.507 1.00 0.00 H new ATOM 0 HA HIS A 3 -9.392 -12.344 -5.538 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -9.658 -15.274 -4.807 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -10.262 -13.982 -3.788 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -10.759 -15.156 -7.518 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -14.479 -13.590 -6.120 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -13.276 -14.697 -8.109 1.00 0.00 H new ATOM 38 N MET A 4 -7.182 -11.898 -4.379 1.00 0.00 N ATOM 39 CA MET A 4 -6.060 -11.500 -3.510 1.00 0.00 C ATOM 40 C MET A 4 -6.175 -10.018 -3.084 1.00 0.00 C ATOM 41 O MET A 4 -5.453 -9.151 -3.579 1.00 0.00 O ATOM 42 CB MET A 4 -4.730 -11.828 -4.223 1.00 0.00 C ATOM 43 CG MET A 4 -3.547 -11.881 -3.246 1.00 0.00 C ATOM 44 SD MET A 4 -1.905 -11.722 -4.010 1.00 0.00 S ATOM 45 CE MET A 4 -1.837 -13.219 -5.035 1.00 0.00 C ATOM 0 H MET A 4 -7.447 -11.169 -5.041 1.00 0.00 H new ATOM 0 HA MET A 4 -6.091 -12.070 -2.581 1.00 0.00 H new ATOM 0 HB2 MET A 4 -4.820 -12.786 -4.734 1.00 0.00 H new ATOM 0 HB3 MET A 4 -4.534 -11.076 -4.988 1.00 0.00 H new ATOM 0 HG2 MET A 4 -3.667 -11.085 -2.511 1.00 0.00 H new ATOM 0 HG3 MET A 4 -3.587 -12.825 -2.702 1.00 0.00 H new ATOM 0 HE1 MET A 4 -0.884 -13.255 -5.563 1.00 0.00 H new ATOM 0 HE2 MET A 4 -1.934 -14.100 -4.400 1.00 0.00 H new ATOM 0 HE3 MET A 4 -2.652 -13.202 -5.758 1.00 0.00 H new ATOM 55 N LYS A 5 -7.101 -9.725 -2.158 1.00 0.00 N ATOM 56 CA LYS A 5 -7.390 -8.375 -1.623 1.00 0.00 C ATOM 57 C LYS A 5 -6.932 -8.217 -0.161 1.00 0.00 C ATOM 58 O LYS A 5 -7.744 -8.145 0.760 1.00 0.00 O ATOM 59 CB LYS A 5 -8.860 -7.962 -1.858 1.00 0.00 C ATOM 60 CG LYS A 5 -9.907 -8.995 -1.398 1.00 0.00 C ATOM 61 CD LYS A 5 -10.423 -9.847 -2.566 1.00 0.00 C ATOM 62 CE LYS A 5 -11.552 -9.112 -3.305 1.00 0.00 C ATOM 63 NZ LYS A 5 -12.228 -9.982 -4.303 1.00 0.00 N ATOM 0 H LYS A 5 -7.693 -10.444 -1.743 1.00 0.00 H new ATOM 0 HA LYS A 5 -6.790 -7.666 -2.193 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -9.045 -7.022 -1.338 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -9.003 -7.771 -2.922 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -9.468 -9.645 -0.641 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -10.744 -8.479 -0.928 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -9.607 -10.062 -3.256 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -10.786 -10.805 -2.194 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -12.285 -8.754 -2.582 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -11.145 -8.234 -3.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -12.982 -9.445 -4.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -11.535 -10.303 -5.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -12.640 -10.807 -3.822 1.00 0.00 H new ATOM 77 N GLU A 6 -5.616 -8.177 0.054 1.00 0.00 N ATOM 78 CA GLU A 6 -4.988 -7.974 1.375 1.00 0.00 C ATOM 79 C GLU A 6 -5.226 -6.554 1.925 1.00 0.00 C ATOM 80 O GLU A 6 -5.964 -6.382 2.899 1.00 0.00 O ATOM 81 CB GLU A 6 -3.482 -8.293 1.298 1.00 0.00 C ATOM 82 CG GLU A 6 -3.163 -9.769 1.577 1.00 0.00 C ATOM 83 CD GLU A 6 -2.651 -9.962 3.020 1.00 0.00 C ATOM 84 OE1 GLU A 6 -3.481 -10.115 3.947 1.00 0.00 O ATOM 85 OE2 GLU A 6 -1.413 -9.957 3.233 1.00 0.00 O ATOM 0 H GLU A 6 -4.936 -8.287 -0.698 1.00 0.00 H new ATOM 0 HA GLU A 6 -5.462 -8.662 2.076 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -3.111 -8.028 0.308 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -2.948 -7.670 2.016 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -4.056 -10.374 1.421 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -2.412 -10.122 0.871 1.00 0.00 H new ATOM 92 N PHE A 7 -4.605 -5.534 1.320 1.00 0.00 N ATOM 93 CA PHE A 7 -4.775 -4.127 1.699 1.00 0.00 C ATOM 94 C PHE A 7 -5.934 -3.463 0.936 1.00 0.00 C ATOM 95 O PHE A 7 -5.961 -3.453 -0.298 1.00 0.00 O ATOM 96 CB PHE A 7 -3.449 -3.368 1.519 1.00 0.00 C ATOM 97 CG PHE A 7 -2.499 -3.535 2.696 1.00 0.00 C ATOM 98 CD1 PHE A 7 -2.909 -3.129 3.981 1.00 0.00 C ATOM 99 CD2 PHE A 7 -1.210 -4.079 2.524 1.00 0.00 C ATOM 100 CE1 PHE A 7 -2.051 -3.286 5.082 1.00 0.00 C ATOM 101 CE2 PHE A 7 -0.360 -4.242 3.636 1.00 0.00 C ATOM 102 CZ PHE A 7 -0.776 -3.838 4.912 1.00 0.00 C ATOM 0 H PHE A 7 -3.960 -5.666 0.541 1.00 0.00 H new ATOM 0 HA PHE A 7 -5.047 -4.086 2.754 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -2.958 -3.718 0.611 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -3.661 -2.308 1.379 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -3.888 -2.695 4.120 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -0.874 -4.371 1.540 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -2.377 -2.979 6.065 1.00 0.00 H new ATOM 0 HE2 PHE A 7 0.618 -4.681 3.504 1.00 0.00 H new ATOM 0 HZ PHE A 7 -0.116 -3.952 5.759 1.00 0.00 H new ATOM 112 N ARG A 8 -6.902 -2.913 1.683 1.00 0.00 N ATOM 113 CA ARG A 8 -8.098 -2.214 1.174 1.00 0.00 C ATOM 114 C ARG A 8 -7.917 -0.688 1.110 1.00 0.00 C ATOM 115 O ARG A 8 -7.117 -0.137 1.870 1.00 0.00 O ATOM 116 CB ARG A 8 -9.297 -2.564 2.074 1.00 0.00 C ATOM 117 CG ARG A 8 -10.079 -3.756 1.521 1.00 0.00 C ATOM 118 CD ARG A 8 -11.269 -4.065 2.438 1.00 0.00 C ATOM 119 NE ARG A 8 -12.176 -5.057 1.830 1.00 0.00 N ATOM 120 CZ ARG A 8 -13.118 -4.836 0.930 1.00 0.00 C ATOM 121 NH1 ARG A 8 -13.372 -3.644 0.467 1.00 0.00 N ATOM 122 NH2 ARG A 8 -13.832 -5.822 0.471 1.00 0.00 N ATOM 0 H ARG A 8 -6.875 -2.943 2.702 1.00 0.00 H new ATOM 0 HA ARG A 8 -8.270 -2.549 0.151 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -8.945 -2.793 3.080 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -9.957 -1.700 2.156 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -10.432 -3.536 0.513 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -9.428 -4.627 1.448 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -10.905 -4.441 3.394 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -11.818 -3.147 2.645 1.00 0.00 H new ATOM 0 HE ARG A 8 -12.063 -6.022 2.139 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -12.835 -2.843 0.799 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -14.107 -3.513 -0.228 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -13.666 -6.771 0.806 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -14.558 -5.646 -0.224 1.00 0.00 H new ATOM 136 N PRO A 9 -8.682 0.017 0.253 1.00 0.00 N ATOM 137 CA PRO A 9 -8.581 1.465 0.108 1.00 0.00 C ATOM 138 C PRO A 9 -9.091 2.190 1.363 1.00 0.00 C ATOM 139 O PRO A 9 -10.162 1.880 1.890 1.00 0.00 O ATOM 140 CB PRO A 9 -9.394 1.810 -1.142 1.00 0.00 C ATOM 141 CG PRO A 9 -10.453 0.710 -1.189 1.00 0.00 C ATOM 142 CD PRO A 9 -9.719 -0.508 -0.628 1.00 0.00 C ATOM 0 HA PRO A 9 -7.547 1.792 -0.002 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -9.845 2.799 -1.068 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -8.773 1.809 -2.038 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -11.326 0.966 -0.588 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -10.806 0.534 -2.205 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -10.403 -1.158 -0.082 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -9.284 -1.105 -1.430 1.00 0.00 H new ATOM 150 N GLY A 10 -8.307 3.147 1.862 1.00 0.00 N ATOM 151 CA GLY A 10 -8.609 3.939 3.057 1.00 0.00 C ATOM 152 C GLY A 10 -8.203 3.279 4.384 1.00 0.00 C ATOM 153 O GLY A 10 -8.319 3.917 5.431 1.00 0.00 O ATOM 0 H GLY A 10 -7.417 3.401 1.433 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -8.103 4.901 2.976 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -9.680 4.142 3.081 1.00 0.00 H new ATOM 157 N ASP A 11 -7.721 2.029 4.368 1.00 0.00 N ATOM 158 CA ASP A 11 -7.221 1.340 5.565 1.00 0.00 C ATOM 159 C ASP A 11 -6.033 2.094 6.178 1.00 0.00 C ATOM 160 O ASP A 11 -5.091 2.474 5.475 1.00 0.00 O ATOM 161 CB ASP A 11 -6.779 -0.103 5.250 1.00 0.00 C ATOM 162 CG ASP A 11 -7.915 -1.140 5.215 1.00 0.00 C ATOM 163 OD1 ASP A 11 -9.110 -0.772 5.112 1.00 0.00 O ATOM 164 OD2 ASP A 11 -7.597 -2.350 5.320 1.00 0.00 O ATOM 0 H ASP A 11 -7.667 1.465 3.520 1.00 0.00 H new ATOM 0 HA ASP A 11 -8.047 1.312 6.276 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -6.273 -0.109 4.285 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -6.047 -0.413 5.996 1.00 0.00 H new ATOM 169 N LYS A 12 -6.078 2.300 7.499 1.00 0.00 N ATOM 170 CA LYS A 12 -4.988 2.906 8.272 1.00 0.00 C ATOM 171 C LYS A 12 -3.787 1.959 8.292 1.00 0.00 C ATOM 172 O LYS A 12 -3.829 0.904 8.930 1.00 0.00 O ATOM 173 CB LYS A 12 -5.462 3.266 9.696 1.00 0.00 C ATOM 174 CG LYS A 12 -5.758 4.768 9.799 1.00 0.00 C ATOM 175 CD LYS A 12 -6.072 5.212 11.239 1.00 0.00 C ATOM 176 CE LYS A 12 -5.412 6.569 11.519 1.00 0.00 C ATOM 177 NZ LYS A 12 -5.842 7.142 12.822 1.00 0.00 N ATOM 0 H LYS A 12 -6.885 2.047 8.070 1.00 0.00 H new ATOM 0 HA LYS A 12 -4.680 3.837 7.796 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -6.357 2.695 9.943 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -4.697 2.989 10.421 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.901 5.330 9.428 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -6.602 5.013 9.155 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -7.150 5.286 11.380 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.708 4.467 11.947 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -4.328 6.452 11.515 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -5.661 7.265 10.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -5.372 8.058 12.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -6.873 7.278 12.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -5.582 6.491 13.590 1.00 0.00 H new ATOM 191 N VAL A 13 -2.716 2.330 7.594 1.00 0.00 N ATOM 192 CA VAL A 13 -1.456 1.573 7.524 1.00 0.00 C ATOM 193 C VAL A 13 -0.276 2.444 7.960 1.00 0.00 C ATOM 194 O VAL A 13 -0.329 3.670 7.865 1.00 0.00 O ATOM 195 CB VAL A 13 -1.251 0.944 6.129 1.00 0.00 C ATOM 196 CG1 VAL A 13 -2.382 -0.036 5.801 1.00 0.00 C ATOM 197 CG2 VAL A 13 -1.173 1.957 4.979 1.00 0.00 C ATOM 0 H VAL A 13 -2.694 3.189 7.044 1.00 0.00 H new ATOM 0 HA VAL A 13 -1.515 0.741 8.226 1.00 0.00 H new ATOM 0 HB VAL A 13 -0.287 0.441 6.200 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -2.216 -0.466 4.813 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -2.401 -0.832 6.545 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -3.335 0.492 5.811 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.028 1.428 4.037 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.099 2.530 4.935 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -0.336 2.634 5.147 1.00 0.00 H new ATOM 207 N VAL A 14 0.794 1.825 8.456 1.00 0.00 N ATOM 208 CA VAL A 14 2.053 2.495 8.825 1.00 0.00 C ATOM 209 C VAL A 14 3.081 2.317 7.712 1.00 0.00 C ATOM 210 O VAL A 14 3.362 1.197 7.283 1.00 0.00 O ATOM 211 CB VAL A 14 2.598 2.028 10.192 1.00 0.00 C ATOM 212 CG1 VAL A 14 2.573 0.509 10.379 1.00 0.00 C ATOM 213 CG2 VAL A 14 4.029 2.527 10.450 1.00 0.00 C ATOM 0 H VAL A 14 0.816 0.818 8.619 1.00 0.00 H new ATOM 0 HA VAL A 14 1.843 3.558 8.940 1.00 0.00 H new ATOM 0 HB VAL A 14 1.915 2.472 10.916 1.00 0.00 H new ATOM 0 HG11 VAL A 14 2.971 0.257 11.362 1.00 0.00 H new ATOM 0 HG12 VAL A 14 1.547 0.149 10.299 1.00 0.00 H new ATOM 0 HG13 VAL A 14 3.183 0.038 9.609 1.00 0.00 H new ATOM 0 HG21 VAL A 14 4.368 2.173 11.424 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.693 2.146 9.674 1.00 0.00 H new ATOM 0 HG23 VAL A 14 4.042 3.617 10.436 1.00 0.00 H new ATOM 223 N LEU A 15 3.646 3.436 7.254 1.00 0.00 N ATOM 224 CA LEU A 15 4.716 3.474 6.263 1.00 0.00 C ATOM 225 C LEU A 15 5.732 4.580 6.612 1.00 0.00 C ATOM 226 O LEU A 15 5.440 5.759 6.396 1.00 0.00 O ATOM 227 CB LEU A 15 4.092 3.643 4.867 1.00 0.00 C ATOM 228 CG LEU A 15 5.073 3.513 3.685 1.00 0.00 C ATOM 229 CD1 LEU A 15 6.091 2.379 3.833 1.00 0.00 C ATOM 230 CD2 LEU A 15 4.299 3.219 2.402 1.00 0.00 C ATOM 0 H LEU A 15 3.363 4.363 7.572 1.00 0.00 H new ATOM 0 HA LEU A 15 5.276 2.539 6.265 1.00 0.00 H new ATOM 0 HB2 LEU A 15 3.304 2.899 4.747 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.616 4.622 4.816 1.00 0.00 H new ATOM 0 HG LEU A 15 5.608 4.462 3.659 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.742 2.358 2.959 1.00 0.00 H new ATOM 0 HD12 LEU A 15 6.691 2.543 4.728 1.00 0.00 H new ATOM 0 HD13 LEU A 15 5.566 1.427 3.917 1.00 0.00 H new ATOM 0 HD21 LEU A 15 4.996 3.128 1.569 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.746 2.286 2.516 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.601 4.032 2.204 1.00 0.00 H new ATOM 242 N PRO A 16 6.893 4.258 7.210 1.00 0.00 N ATOM 243 CA PRO A 16 7.932 5.252 7.495 1.00 0.00 C ATOM 244 C PRO A 16 8.606 5.782 6.205 1.00 0.00 C ATOM 245 O PRO A 16 8.535 5.127 5.159 1.00 0.00 O ATOM 246 CB PRO A 16 8.917 4.540 8.429 1.00 0.00 C ATOM 247 CG PRO A 16 8.766 3.064 8.066 1.00 0.00 C ATOM 248 CD PRO A 16 7.295 2.940 7.683 1.00 0.00 C ATOM 0 HA PRO A 16 7.520 6.146 7.962 1.00 0.00 H new ATOM 0 HB2 PRO A 16 9.938 4.887 8.273 1.00 0.00 H new ATOM 0 HB3 PRO A 16 8.676 4.720 9.477 1.00 0.00 H new ATOM 0 HG2 PRO A 16 9.421 2.785 7.240 1.00 0.00 H new ATOM 0 HG3 PRO A 16 9.018 2.416 8.906 1.00 0.00 H new ATOM 0 HD2 PRO A 16 7.156 2.187 6.907 1.00 0.00 H new ATOM 0 HD3 PRO A 16 6.693 2.632 8.538 1.00 0.00 H new ATOM 256 N PRO A 17 9.271 6.956 6.253 1.00 0.00 N ATOM 257 CA PRO A 17 9.440 7.830 7.424 1.00 0.00 C ATOM 258 C PRO A 17 8.188 8.653 7.793 1.00 0.00 C ATOM 259 O PRO A 17 8.160 9.269 8.859 1.00 0.00 O ATOM 260 CB PRO A 17 10.612 8.746 7.052 1.00 0.00 C ATOM 261 CG PRO A 17 10.466 8.901 5.541 1.00 0.00 C ATOM 262 CD PRO A 17 9.981 7.518 5.107 1.00 0.00 C ATOM 0 HA PRO A 17 9.621 7.231 8.317 1.00 0.00 H new ATOM 0 HB2 PRO A 17 10.550 9.707 7.563 1.00 0.00 H new ATOM 0 HB3 PRO A 17 11.571 8.303 7.321 1.00 0.00 H new ATOM 0 HG2 PRO A 17 9.750 9.681 5.281 1.00 0.00 H new ATOM 0 HG3 PRO A 17 11.412 9.165 5.068 1.00 0.00 H new ATOM 0 HD2 PRO A 17 9.325 7.590 4.240 1.00 0.00 H new ATOM 0 HD3 PRO A 17 10.820 6.884 4.820 1.00 0.00 H new ATOM 270 N TYR A 18 7.139 8.640 6.958 1.00 0.00 N ATOM 271 CA TYR A 18 5.864 9.338 7.192 1.00 0.00 C ATOM 272 C TYR A 18 5.176 8.884 8.495 1.00 0.00 C ATOM 273 O TYR A 18 4.662 9.701 9.260 1.00 0.00 O ATOM 274 CB TYR A 18 4.929 9.130 5.987 1.00 0.00 C ATOM 275 CG TYR A 18 5.588 9.247 4.621 1.00 0.00 C ATOM 276 CD1 TYR A 18 5.998 10.507 4.141 1.00 0.00 C ATOM 277 CD2 TYR A 18 5.785 8.097 3.828 1.00 0.00 C ATOM 278 CE1 TYR A 18 6.594 10.619 2.869 1.00 0.00 C ATOM 279 CE2 TYR A 18 6.361 8.206 2.547 1.00 0.00 C ATOM 280 CZ TYR A 18 6.769 9.467 2.066 1.00 0.00 C ATOM 281 OH TYR A 18 7.342 9.554 0.834 1.00 0.00 O ATOM 0 H TYR A 18 7.153 8.129 6.075 1.00 0.00 H new ATOM 0 HA TYR A 18 6.084 10.399 7.306 1.00 0.00 H new ATOM 0 HB2 TYR A 18 4.474 8.143 6.068 1.00 0.00 H new ATOM 0 HB3 TYR A 18 4.121 9.860 6.045 1.00 0.00 H new ATOM 0 HD1 TYR A 18 5.855 11.388 4.749 1.00 0.00 H new ATOM 0 HD2 TYR A 18 5.493 7.128 4.205 1.00 0.00 H new ATOM 0 HE1 TYR A 18 6.917 11.584 2.507 1.00 0.00 H new ATOM 0 HE2 TYR A 18 6.490 7.326 1.935 1.00 0.00 H new ATOM 0 HH TYR A 18 7.381 8.663 0.428 1.00 0.00 H new ATOM 291 N GLY A 19 5.177 7.570 8.748 1.00 0.00 N ATOM 292 CA GLY A 19 4.677 6.916 9.967 1.00 0.00 C ATOM 293 C GLY A 19 3.216 6.462 9.879 1.00 0.00 C ATOM 294 O GLY A 19 2.783 5.584 10.625 1.00 0.00 O ATOM 0 H GLY A 19 5.545 6.898 8.075 1.00 0.00 H new ATOM 0 HA2 GLY A 19 5.303 6.050 10.185 1.00 0.00 H new ATOM 0 HA3 GLY A 19 4.782 7.605 10.805 1.00 0.00 H new ATOM 298 N VAL A 20 2.446 7.065 8.978 1.00 0.00 N ATOM 299 CA VAL A 20 1.056 6.727 8.652 1.00 0.00 C ATOM 300 C VAL A 20 0.812 6.960 7.159 1.00 0.00 C ATOM 301 O VAL A 20 1.442 7.831 6.558 1.00 0.00 O ATOM 302 CB VAL A 20 0.089 7.542 9.535 1.00 0.00 C ATOM 303 CG1 VAL A 20 0.073 9.045 9.215 1.00 0.00 C ATOM 304 CG2 VAL A 20 -1.346 7.006 9.475 1.00 0.00 C ATOM 0 H VAL A 20 2.791 7.847 8.422 1.00 0.00 H new ATOM 0 HA VAL A 20 0.870 5.674 8.861 1.00 0.00 H new ATOM 0 HB VAL A 20 0.482 7.419 10.544 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.630 9.550 9.877 1.00 0.00 H new ATOM 0 HG12 VAL A 20 1.071 9.459 9.362 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.233 9.193 8.179 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.988 7.613 10.113 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.708 7.051 8.448 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.363 5.973 9.821 1.00 0.00 H new ATOM 314 N GLY A 21 -0.109 6.209 6.566 1.00 0.00 N ATOM 315 CA GLY A 21 -0.557 6.334 5.179 1.00 0.00 C ATOM 316 C GLY A 21 -1.911 5.654 4.972 1.00 0.00 C ATOM 317 O GLY A 21 -2.395 4.927 5.846 1.00 0.00 O ATOM 0 H GLY A 21 -0.589 5.458 7.062 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -0.632 7.388 4.912 1.00 0.00 H new ATOM 0 HA3 GLY A 21 0.182 5.888 4.514 1.00 0.00 H new ATOM 321 N VAL A 22 -2.519 5.877 3.806 1.00 0.00 N ATOM 322 CA VAL A 22 -3.768 5.236 3.379 1.00 0.00 C ATOM 323 C VAL A 22 -3.636 4.739 1.941 1.00 0.00 C ATOM 324 O VAL A 22 -3.153 5.450 1.055 1.00 0.00 O ATOM 325 CB VAL A 22 -4.991 6.159 3.556 1.00 0.00 C ATOM 326 CG1 VAL A 22 -5.168 6.583 5.020 1.00 0.00 C ATOM 327 CG2 VAL A 22 -4.994 7.404 2.659 1.00 0.00 C ATOM 0 H VAL A 22 -2.148 6.526 3.112 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.943 4.377 4.027 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.835 5.548 3.238 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -6.039 7.233 5.108 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.311 5.698 5.640 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -4.280 7.120 5.353 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -5.892 7.991 2.854 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -4.112 8.008 2.872 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.981 7.099 1.613 1.00 0.00 H new ATOM 337 N VAL A 23 -4.026 3.486 1.709 1.00 0.00 N ATOM 338 CA VAL A 23 -4.028 2.877 0.371 1.00 0.00 C ATOM 339 C VAL A 23 -5.141 3.503 -0.484 1.00 0.00 C ATOM 340 O VAL A 23 -6.230 3.769 0.024 1.00 0.00 O ATOM 341 CB VAL A 23 -4.196 1.348 0.484 1.00 0.00 C ATOM 342 CG1 VAL A 23 -4.104 0.681 -0.894 1.00 0.00 C ATOM 343 CG2 VAL A 23 -3.151 0.733 1.440 1.00 0.00 C ATOM 0 H VAL A 23 -4.352 2.859 2.444 1.00 0.00 H new ATOM 0 HA VAL A 23 -3.074 3.072 -0.119 1.00 0.00 H new ATOM 0 HB VAL A 23 -5.187 1.163 0.897 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -4.226 -0.397 -0.785 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.890 1.072 -1.541 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.131 0.893 -1.337 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.299 -0.345 1.496 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.149 0.943 1.067 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -3.267 1.167 2.433 1.00 0.00 H new ATOM 353 N ALA A 24 -4.895 3.721 -1.777 1.00 0.00 N ATOM 354 CA ALA A 24 -5.855 4.292 -2.729 1.00 0.00 C ATOM 355 C ALA A 24 -6.444 3.244 -3.697 1.00 0.00 C ATOM 356 O ALA A 24 -7.639 3.278 -3.995 1.00 0.00 O ATOM 357 CB ALA A 24 -5.156 5.426 -3.492 1.00 0.00 C ATOM 0 H ALA A 24 -3.996 3.499 -2.205 1.00 0.00 H new ATOM 0 HA ALA A 24 -6.708 4.678 -2.171 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.851 5.866 -4.207 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.827 6.190 -2.787 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.292 5.028 -4.024 1.00 0.00 H new ATOM 363 N GLY A 25 -5.621 2.304 -4.172 1.00 0.00 N ATOM 364 CA GLY A 25 -6.018 1.223 -5.081 1.00 0.00 C ATOM 365 C GLY A 25 -4.829 0.456 -5.668 1.00 0.00 C ATOM 366 O GLY A 25 -3.667 0.796 -5.422 1.00 0.00 O ATOM 0 H GLY A 25 -4.631 2.273 -3.928 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.662 0.526 -4.545 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -6.609 1.642 -5.896 1.00 0.00 H new ATOM 370 N ILE A 26 -5.131 -0.592 -6.440 1.00 0.00 N ATOM 371 CA ILE A 26 -4.157 -1.451 -7.126 1.00 0.00 C ATOM 372 C ILE A 26 -3.813 -0.855 -8.498 1.00 0.00 C ATOM 373 O ILE A 26 -4.680 -0.735 -9.367 1.00 0.00 O ATOM 374 CB ILE A 26 -4.680 -2.904 -7.278 1.00 0.00 C ATOM 375 CG1 ILE A 26 -4.825 -3.663 -5.940 1.00 0.00 C ATOM 376 CG2 ILE A 26 -3.676 -3.714 -8.118 1.00 0.00 C ATOM 377 CD1 ILE A 26 -6.029 -3.262 -5.085 1.00 0.00 C ATOM 0 H ILE A 26 -6.095 -0.877 -6.612 1.00 0.00 H new ATOM 0 HA ILE A 26 -3.255 -1.494 -6.516 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.664 -2.815 -7.738 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.891 -4.730 -6.152 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -3.918 -3.510 -5.355 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -4.036 -4.737 -8.229 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -3.572 -3.257 -9.102 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -2.707 -3.723 -7.618 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -6.038 -3.853 -4.169 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -5.960 -2.204 -4.833 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -6.948 -3.443 -5.643 1.00 0.00 H new ATOM 389 N ALA A 27 -2.541 -0.511 -8.697 1.00 0.00 N ATOM 390 CA ALA A 27 -1.996 -0.018 -9.960 1.00 0.00 C ATOM 391 C ALA A 27 -1.023 -1.054 -10.551 1.00 0.00 C ATOM 392 O ALA A 27 0.017 -1.347 -9.961 1.00 0.00 O ATOM 393 CB ALA A 27 -1.313 1.333 -9.699 1.00 0.00 C ATOM 0 H ALA A 27 -1.839 -0.570 -7.959 1.00 0.00 H new ATOM 0 HA ALA A 27 -2.789 0.130 -10.693 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.899 1.718 -10.631 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -2.044 2.040 -9.307 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -0.511 1.201 -8.973 1.00 0.00 H new ATOM 399 N GLN A 28 -1.348 -1.620 -11.715 1.00 0.00 N ATOM 400 CA GLN A 28 -0.471 -2.546 -12.438 1.00 0.00 C ATOM 401 C GLN A 28 0.602 -1.800 -13.261 1.00 0.00 C ATOM 402 O GLN A 28 0.283 -1.107 -14.231 1.00 0.00 O ATOM 403 CB GLN A 28 -1.291 -3.512 -13.308 1.00 0.00 C ATOM 404 CG GLN A 28 -2.310 -4.331 -12.494 1.00 0.00 C ATOM 405 CD GLN A 28 -2.522 -5.726 -13.083 1.00 0.00 C ATOM 406 OE1 GLN A 28 -3.453 -5.987 -13.834 1.00 0.00 O ATOM 407 NE2 GLN A 28 -1.661 -6.673 -12.771 1.00 0.00 N ATOM 0 H GLN A 28 -2.235 -1.447 -12.187 1.00 0.00 H new ATOM 0 HA GLN A 28 0.063 -3.141 -11.697 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -1.818 -2.944 -14.075 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -0.614 -4.193 -13.824 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -1.964 -4.421 -11.464 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -3.262 -3.801 -12.465 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -0.881 -6.468 -12.146 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -1.774 -7.612 -13.154 1.00 0.00 H new ATOM 416 N ARG A 29 1.878 -1.936 -12.873 1.00 0.00 N ATOM 417 CA ARG A 29 3.063 -1.355 -13.535 1.00 0.00 C ATOM 418 C ARG A 29 3.719 -2.360 -14.490 1.00 0.00 C ATOM 419 O ARG A 29 4.222 -3.397 -14.055 1.00 0.00 O ATOM 420 CB ARG A 29 4.071 -0.852 -12.474 1.00 0.00 C ATOM 421 CG ARG A 29 4.248 0.672 -12.473 1.00 0.00 C ATOM 422 CD ARG A 29 2.976 1.444 -12.079 1.00 0.00 C ATOM 423 NE ARG A 29 2.501 2.324 -13.168 1.00 0.00 N ATOM 424 CZ ARG A 29 1.536 3.224 -13.101 1.00 0.00 C ATOM 425 NH1 ARG A 29 0.878 3.446 -12.000 1.00 0.00 N ATOM 426 NH2 ARG A 29 1.214 3.929 -14.147 1.00 0.00 N ATOM 0 H ARG A 29 2.128 -2.481 -12.048 1.00 0.00 H new ATOM 0 HA ARG A 29 2.738 -0.505 -14.135 1.00 0.00 H new ATOM 0 HB2 ARG A 29 3.737 -1.172 -11.487 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.038 -1.322 -12.651 1.00 0.00 H new ATOM 0 HG2 ARG A 29 5.050 0.935 -11.783 1.00 0.00 H new ATOM 0 HG3 ARG A 29 4.564 0.993 -13.466 1.00 0.00 H new ATOM 0 HD2 ARG A 29 2.190 0.736 -11.816 1.00 0.00 H new ATOM 0 HD3 ARG A 29 3.176 2.043 -11.191 1.00 0.00 H new ATOM 0 HE ARG A 29 2.969 2.226 -14.069 1.00 0.00 H new ATOM 0 HH11 ARG A 29 1.102 2.918 -11.157 1.00 0.00 H new ATOM 0 HH12 ARG A 29 0.138 4.148 -11.981 1.00 0.00 H new ATOM 0 HH21 ARG A 29 1.708 3.789 -15.028 1.00 0.00 H new ATOM 0 HH22 ARG A 29 0.468 4.621 -14.085 1.00 0.00 H new ATOM 440 N SER A 30 3.701 -2.055 -15.786 1.00 0.00 N ATOM 441 CA SER A 30 4.343 -2.793 -16.886 1.00 0.00 C ATOM 442 C SER A 30 5.878 -2.725 -16.801 1.00 0.00 C ATOM 443 O SER A 30 6.473 -1.671 -17.046 1.00 0.00 O ATOM 444 CB SER A 30 3.852 -2.278 -18.260 1.00 0.00 C ATOM 445 OG SER A 30 2.799 -1.319 -18.161 1.00 0.00 O ATOM 0 H SER A 30 3.205 -1.230 -16.125 1.00 0.00 H new ATOM 0 HA SER A 30 4.053 -3.839 -16.784 1.00 0.00 H new ATOM 0 HB2 SER A 30 4.691 -1.832 -18.794 1.00 0.00 H new ATOM 0 HB3 SER A 30 3.509 -3.124 -18.856 1.00 0.00 H new ATOM 0 HG SER A 30 2.534 -1.031 -19.059 1.00 0.00 H new ATOM 451 N VAL A 31 6.533 -3.834 -16.437 1.00 0.00 N ATOM 452 CA VAL A 31 7.996 -3.953 -16.252 1.00 0.00 C ATOM 453 C VAL A 31 8.507 -5.257 -16.874 1.00 0.00 C ATOM 454 O VAL A 31 8.005 -6.333 -16.563 1.00 0.00 O ATOM 455 CB VAL A 31 8.372 -3.885 -14.753 1.00 0.00 C ATOM 456 CG1 VAL A 31 9.891 -4.029 -14.557 1.00 0.00 C ATOM 457 CG2 VAL A 31 7.926 -2.565 -14.107 1.00 0.00 C ATOM 0 H VAL A 31 6.045 -4.711 -16.255 1.00 0.00 H new ATOM 0 HA VAL A 31 8.473 -3.113 -16.758 1.00 0.00 H new ATOM 0 HB VAL A 31 7.852 -4.712 -14.271 1.00 0.00 H new ATOM 0 HG11 VAL A 31 10.127 -3.978 -13.494 1.00 0.00 H new ATOM 0 HG12 VAL A 31 10.220 -4.989 -14.956 1.00 0.00 H new ATOM 0 HG13 VAL A 31 10.404 -3.223 -15.082 1.00 0.00 H new ATOM 0 HG21 VAL A 31 8.210 -2.561 -13.055 1.00 0.00 H new ATOM 0 HG22 VAL A 31 8.407 -1.730 -14.616 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.844 -2.466 -14.191 1.00 0.00 H new ATOM 467 N SER A 32 9.505 -5.195 -17.764 1.00 0.00 N ATOM 468 CA SER A 32 10.065 -6.373 -18.465 1.00 0.00 C ATOM 469 C SER A 32 9.015 -7.174 -19.276 1.00 0.00 C ATOM 470 O SER A 32 9.156 -8.378 -19.506 1.00 0.00 O ATOM 471 CB SER A 32 10.836 -7.247 -17.458 1.00 0.00 C ATOM 472 OG SER A 32 11.889 -7.961 -18.089 1.00 0.00 O ATOM 0 H SER A 32 9.956 -4.319 -18.026 1.00 0.00 H new ATOM 0 HA SER A 32 10.761 -6.011 -19.222 1.00 0.00 H new ATOM 0 HB2 SER A 32 11.244 -6.618 -16.667 1.00 0.00 H new ATOM 0 HB3 SER A 32 10.150 -7.950 -16.985 1.00 0.00 H new ATOM 0 HG SER A 32 12.360 -8.505 -17.424 1.00 0.00 H new ATOM 478 N GLY A 33 7.934 -6.506 -19.699 1.00 0.00 N ATOM 479 CA GLY A 33 6.785 -7.085 -20.409 1.00 0.00 C ATOM 480 C GLY A 33 5.693 -7.690 -19.512 1.00 0.00 C ATOM 481 O GLY A 33 4.607 -7.992 -20.012 1.00 0.00 O ATOM 0 H GLY A 33 7.831 -5.502 -19.549 1.00 0.00 H new ATOM 0 HA2 GLY A 33 6.334 -6.310 -21.029 1.00 0.00 H new ATOM 0 HA3 GLY A 33 7.149 -7.861 -21.083 1.00 0.00 H new ATOM 485 N VAL A 34 5.935 -7.841 -18.203 1.00 0.00 N ATOM 486 CA VAL A 34 4.956 -8.318 -17.210 1.00 0.00 C ATOM 487 C VAL A 34 4.426 -7.155 -16.368 1.00 0.00 C ATOM 488 O VAL A 34 5.186 -6.340 -15.847 1.00 0.00 O ATOM 489 CB VAL A 34 5.518 -9.454 -16.327 1.00 0.00 C ATOM 490 CG1 VAL A 34 5.814 -10.699 -17.173 1.00 0.00 C ATOM 491 CG2 VAL A 34 6.785 -9.120 -15.527 1.00 0.00 C ATOM 0 H VAL A 34 6.844 -7.629 -17.791 1.00 0.00 H new ATOM 0 HA VAL A 34 4.118 -8.746 -17.761 1.00 0.00 H new ATOM 0 HB VAL A 34 4.726 -9.625 -15.598 1.00 0.00 H new ATOM 0 HG11 VAL A 34 6.209 -11.488 -16.533 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.895 -11.043 -17.648 1.00 0.00 H new ATOM 0 HG13 VAL A 34 6.548 -10.452 -17.940 1.00 0.00 H new ATOM 0 HG21 VAL A 34 7.088 -9.990 -14.945 1.00 0.00 H new ATOM 0 HG22 VAL A 34 7.586 -8.845 -16.213 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.582 -8.287 -14.854 1.00 0.00 H new ATOM 501 N SER A 35 3.103 -7.040 -16.243 1.00 0.00 N ATOM 502 CA SER A 35 2.484 -6.015 -15.391 1.00 0.00 C ATOM 503 C SER A 35 2.300 -6.546 -13.969 1.00 0.00 C ATOM 504 O SER A 35 1.582 -7.528 -13.761 1.00 0.00 O ATOM 505 CB SER A 35 1.151 -5.567 -15.993 1.00 0.00 C ATOM 506 OG SER A 35 1.380 -4.848 -17.195 1.00 0.00 O ATOM 0 H SER A 35 2.435 -7.645 -16.721 1.00 0.00 H new ATOM 0 HA SER A 35 3.142 -5.148 -15.341 1.00 0.00 H new ATOM 0 HB2 SER A 35 0.522 -6.435 -16.193 1.00 0.00 H new ATOM 0 HB3 SER A 35 0.613 -4.941 -15.281 1.00 0.00 H new ATOM 0 HG SER A 35 0.522 -4.566 -17.576 1.00 0.00 H new ATOM 512 N ARG A 36 2.920 -5.885 -12.978 1.00 0.00 N ATOM 513 CA ARG A 36 2.824 -6.256 -11.550 1.00 0.00 C ATOM 514 C ARG A 36 1.958 -5.258 -10.800 1.00 0.00 C ATOM 515 O ARG A 36 2.118 -4.051 -10.965 1.00 0.00 O ATOM 516 CB ARG A 36 4.213 -6.354 -10.888 1.00 0.00 C ATOM 517 CG ARG A 36 5.188 -7.213 -11.701 1.00 0.00 C ATOM 518 CD ARG A 36 6.326 -7.799 -10.848 1.00 0.00 C ATOM 519 NE ARG A 36 6.555 -9.222 -11.174 1.00 0.00 N ATOM 520 CZ ARG A 36 7.053 -10.155 -10.379 1.00 0.00 C ATOM 521 NH1 ARG A 36 7.559 -9.873 -9.214 1.00 0.00 N ATOM 522 NH2 ARG A 36 7.042 -11.405 -10.742 1.00 0.00 N ATOM 0 H ARG A 36 3.509 -5.069 -13.144 1.00 0.00 H new ATOM 0 HA ARG A 36 2.362 -7.242 -11.500 1.00 0.00 H new ATOM 0 HB2 ARG A 36 4.627 -5.353 -10.769 1.00 0.00 H new ATOM 0 HB3 ARG A 36 4.107 -6.776 -9.889 1.00 0.00 H new ATOM 0 HG2 ARG A 36 4.639 -8.027 -12.174 1.00 0.00 H new ATOM 0 HG3 ARG A 36 5.615 -6.609 -12.502 1.00 0.00 H new ATOM 0 HD2 ARG A 36 7.241 -7.232 -11.018 1.00 0.00 H new ATOM 0 HD3 ARG A 36 6.081 -7.700 -9.791 1.00 0.00 H new ATOM 0 HE ARG A 36 6.301 -9.518 -12.117 1.00 0.00 H new ATOM 0 HH11 ARG A 36 7.580 -8.907 -8.888 1.00 0.00 H new ATOM 0 HH12 ARG A 36 7.934 -10.618 -8.627 1.00 0.00 H new ATOM 0 HH21 ARG A 36 6.648 -11.671 -11.644 1.00 0.00 H new ATOM 0 HH22 ARG A 36 7.428 -12.119 -10.124 1.00 0.00 H new ATOM 536 N ALA A 37 1.048 -5.759 -9.975 1.00 0.00 N ATOM 537 CA ALA A 37 0.179 -4.939 -9.142 1.00 0.00 C ATOM 538 C ALA A 37 0.949 -4.313 -7.965 1.00 0.00 C ATOM 539 O ALA A 37 1.765 -4.968 -7.308 1.00 0.00 O ATOM 540 CB ALA A 37 -0.990 -5.815 -8.687 1.00 0.00 C ATOM 0 H ALA A 37 0.891 -6.761 -9.864 1.00 0.00 H new ATOM 0 HA ALA A 37 -0.207 -4.093 -9.711 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.661 -5.229 -8.059 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -1.533 -6.178 -9.559 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -0.609 -6.663 -8.118 1.00 0.00 H new ATOM 546 N TYR A 38 0.643 -3.046 -7.685 1.00 0.00 N ATOM 547 CA TYR A 38 1.222 -2.244 -6.612 1.00 0.00 C ATOM 548 C TYR A 38 0.161 -1.369 -5.927 1.00 0.00 C ATOM 549 O TYR A 38 -0.565 -0.632 -6.598 1.00 0.00 O ATOM 550 CB TYR A 38 2.333 -1.361 -7.193 1.00 0.00 C ATOM 551 CG TYR A 38 3.622 -2.093 -7.529 1.00 0.00 C ATOM 552 CD1 TYR A 38 4.519 -2.408 -6.495 1.00 0.00 C ATOM 553 CD2 TYR A 38 3.945 -2.440 -8.856 1.00 0.00 C ATOM 554 CE1 TYR A 38 5.733 -3.059 -6.772 1.00 0.00 C ATOM 555 CE2 TYR A 38 5.172 -3.066 -9.148 1.00 0.00 C ATOM 556 CZ TYR A 38 6.067 -3.387 -8.103 1.00 0.00 C ATOM 557 OH TYR A 38 7.248 -4.013 -8.361 1.00 0.00 O ATOM 0 H TYR A 38 -0.049 -2.528 -8.227 1.00 0.00 H new ATOM 0 HA TYR A 38 1.631 -2.916 -5.858 1.00 0.00 H new ATOM 0 HB2 TYR A 38 1.959 -0.880 -8.097 1.00 0.00 H new ATOM 0 HB3 TYR A 38 2.558 -0.568 -6.479 1.00 0.00 H new ATOM 0 HD1 TYR A 38 4.273 -2.147 -5.476 1.00 0.00 H new ATOM 0 HD2 TYR A 38 3.248 -2.225 -9.653 1.00 0.00 H new ATOM 0 HE1 TYR A 38 6.409 -3.308 -5.968 1.00 0.00 H new ATOM 0 HE2 TYR A 38 5.429 -3.301 -10.170 1.00 0.00 H new ATOM 0 HH TYR A 38 7.331 -4.172 -9.325 1.00 0.00 H new ATOM 567 N TYR A 39 0.058 -1.437 -4.598 1.00 0.00 N ATOM 568 CA TYR A 39 -0.836 -0.580 -3.811 1.00 0.00 C ATOM 569 C TYR A 39 -0.304 0.857 -3.793 1.00 0.00 C ATOM 570 O TYR A 39 0.812 1.090 -3.326 1.00 0.00 O ATOM 571 CB TYR A 39 -0.952 -1.102 -2.371 1.00 0.00 C ATOM 572 CG TYR A 39 -1.357 -2.554 -2.225 1.00 0.00 C ATOM 573 CD1 TYR A 39 -2.463 -3.057 -2.935 1.00 0.00 C ATOM 574 CD2 TYR A 39 -0.618 -3.400 -1.379 1.00 0.00 C ATOM 575 CE1 TYR A 39 -2.816 -4.415 -2.817 1.00 0.00 C ATOM 576 CE2 TYR A 39 -0.985 -4.750 -1.240 1.00 0.00 C ATOM 577 CZ TYR A 39 -2.093 -5.260 -1.950 1.00 0.00 C ATOM 578 OH TYR A 39 -2.437 -6.571 -1.837 1.00 0.00 O ATOM 0 H TYR A 39 0.596 -2.093 -4.032 1.00 0.00 H new ATOM 0 HA TYR A 39 -1.823 -0.596 -4.274 1.00 0.00 H new ATOM 0 HB2 TYR A 39 0.009 -0.961 -1.875 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -1.678 -0.487 -1.839 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -3.041 -2.402 -3.570 1.00 0.00 H new ATOM 0 HD2 TYR A 39 0.231 -3.013 -0.836 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -3.641 -4.810 -3.391 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -0.418 -5.398 -0.588 1.00 0.00 H new ATOM 0 HH TYR A 39 -1.838 -7.013 -1.199 1.00 0.00 H new ATOM 588 N GLN A 40 -1.080 1.816 -4.302 1.00 0.00 N ATOM 589 CA GLN A 40 -0.757 3.246 -4.263 1.00 0.00 C ATOM 590 C GLN A 40 -1.053 3.830 -2.867 1.00 0.00 C ATOM 591 O GLN A 40 -2.212 4.077 -2.538 1.00 0.00 O ATOM 592 CB GLN A 40 -1.565 3.944 -5.375 1.00 0.00 C ATOM 593 CG GLN A 40 -1.222 5.434 -5.533 1.00 0.00 C ATOM 594 CD GLN A 40 -1.935 6.043 -6.741 1.00 0.00 C ATOM 595 OE1 GLN A 40 -1.550 5.852 -7.885 1.00 0.00 O ATOM 596 NE2 GLN A 40 -2.974 6.827 -6.545 1.00 0.00 N ATOM 0 H GLN A 40 -1.968 1.618 -4.762 1.00 0.00 H new ATOM 0 HA GLN A 40 0.306 3.409 -4.442 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -1.383 3.434 -6.321 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -2.629 3.844 -5.159 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -1.508 5.973 -4.630 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -0.144 5.551 -5.647 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -3.311 6.999 -5.598 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -3.442 7.262 -7.340 1.00 0.00 H new ATOM 605 N VAL A 41 -0.030 4.049 -2.036 1.00 0.00 N ATOM 606 CA VAL A 41 -0.162 4.668 -0.700 1.00 0.00 C ATOM 607 C VAL A 41 0.034 6.176 -0.806 1.00 0.00 C ATOM 608 O VAL A 41 1.134 6.625 -1.122 1.00 0.00 O ATOM 609 CB VAL A 41 0.832 4.091 0.326 1.00 0.00 C ATOM 610 CG1 VAL A 41 0.424 4.508 1.748 1.00 0.00 C ATOM 611 CG2 VAL A 41 0.892 2.563 0.278 1.00 0.00 C ATOM 0 H VAL A 41 0.931 3.800 -2.270 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.166 4.440 -0.342 1.00 0.00 H new ATOM 0 HB VAL A 41 1.814 4.489 0.069 1.00 0.00 H new ATOM 0 HG11 VAL A 41 1.133 4.095 2.466 1.00 0.00 H new ATOM 0 HG12 VAL A 41 0.424 5.595 1.822 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.575 4.130 1.966 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.606 2.203 1.019 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.094 2.153 0.496 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.207 2.242 -0.715 1.00 0.00 H new ATOM 621 N ASP A 42 -1.022 6.955 -0.582 1.00 0.00 N ATOM 622 CA ASP A 42 -1.013 8.425 -0.640 1.00 0.00 C ATOM 623 C ASP A 42 -0.967 9.014 0.784 1.00 0.00 C ATOM 624 O ASP A 42 -1.723 8.587 1.662 1.00 0.00 O ATOM 625 CB ASP A 42 -2.268 8.889 -1.407 1.00 0.00 C ATOM 626 CG ASP A 42 -2.003 10.119 -2.287 1.00 0.00 C ATOM 627 OD1 ASP A 42 -1.974 11.252 -1.754 1.00 0.00 O ATOM 628 OD2 ASP A 42 -1.864 9.952 -3.521 1.00 0.00 O ATOM 0 H ASP A 42 -1.939 6.574 -0.347 1.00 0.00 H new ATOM 0 HA ASP A 42 -0.125 8.780 -1.163 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -2.630 8.072 -2.031 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -3.059 9.121 -0.694 1.00 0.00 H new ATOM 633 N PHE A 43 -0.076 9.977 1.036 1.00 0.00 N ATOM 634 CA PHE A 43 0.138 10.567 2.368 1.00 0.00 C ATOM 635 C PHE A 43 -0.386 12.014 2.437 1.00 0.00 C ATOM 636 O PHE A 43 -0.263 12.746 1.448 1.00 0.00 O ATOM 637 CB PHE A 43 1.633 10.522 2.727 1.00 0.00 C ATOM 638 CG PHE A 43 2.304 9.207 2.389 1.00 0.00 C ATOM 639 CD1 PHE A 43 2.189 8.103 3.250 1.00 0.00 C ATOM 640 CD2 PHE A 43 2.984 9.067 1.167 1.00 0.00 C ATOM 641 CE1 PHE A 43 2.760 6.873 2.898 1.00 0.00 C ATOM 642 CE2 PHE A 43 3.568 7.842 0.814 1.00 0.00 C ATOM 643 CZ PHE A 43 3.456 6.746 1.684 1.00 0.00 C ATOM 0 H PHE A 43 0.526 10.376 0.315 1.00 0.00 H new ATOM 0 HA PHE A 43 -0.425 9.978 3.092 1.00 0.00 H new ATOM 0 HB2 PHE A 43 2.147 11.327 2.202 1.00 0.00 H new ATOM 0 HB3 PHE A 43 1.747 10.713 3.794 1.00 0.00 H new ATOM 0 HD1 PHE A 43 1.659 8.203 4.186 1.00 0.00 H new ATOM 0 HD2 PHE A 43 3.057 9.909 0.495 1.00 0.00 H new ATOM 0 HE1 PHE A 43 2.665 6.024 3.559 1.00 0.00 H new ATOM 0 HE2 PHE A 43 4.100 7.742 -0.121 1.00 0.00 H new ATOM 0 HZ PHE A 43 3.907 5.801 1.419 1.00 0.00 H new ATOM 653 N PRO A 44 -0.929 12.474 3.582 1.00 0.00 N ATOM 654 CA PRO A 44 -1.393 13.854 3.730 1.00 0.00 C ATOM 655 C PRO A 44 -0.229 14.865 3.724 1.00 0.00 C ATOM 656 O PRO A 44 0.932 14.519 3.958 1.00 0.00 O ATOM 657 CB PRO A 44 -2.179 13.872 5.046 1.00 0.00 C ATOM 658 CG PRO A 44 -1.525 12.763 5.869 1.00 0.00 C ATOM 659 CD PRO A 44 -1.146 11.725 4.813 1.00 0.00 C ATOM 0 HA PRO A 44 -2.016 14.161 2.890 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -2.105 14.838 5.544 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -3.239 13.678 4.883 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -0.651 13.125 6.410 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -2.211 12.352 6.610 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -0.247 11.181 5.104 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -1.938 10.987 4.688 1.00 0.00 H new ATOM 667 N GLY A 45 -0.546 16.135 3.455 1.00 0.00 N ATOM 668 CA GLY A 45 0.403 17.259 3.393 1.00 0.00 C ATOM 669 C GLY A 45 1.170 17.407 2.066 1.00 0.00 C ATOM 670 O GLY A 45 1.716 18.480 1.795 1.00 0.00 O ATOM 0 H GLY A 45 -1.506 16.423 3.267 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.143 18.183 3.582 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.127 17.146 4.200 1.00 0.00 H new ATOM 674 N SER A 46 1.197 16.366 1.227 1.00 0.00 N ATOM 675 CA SER A 46 1.866 16.321 -0.087 1.00 0.00 C ATOM 676 C SER A 46 1.107 15.406 -1.070 1.00 0.00 C ATOM 677 O SER A 46 0.009 14.928 -0.771 1.00 0.00 O ATOM 678 CB SER A 46 3.324 15.823 0.055 1.00 0.00 C ATOM 679 OG SER A 46 4.015 16.366 1.172 1.00 0.00 O ATOM 0 H SER A 46 0.732 15.487 1.453 1.00 0.00 H new ATOM 0 HA SER A 46 1.870 17.336 -0.483 1.00 0.00 H new ATOM 0 HB2 SER A 46 3.319 14.736 0.137 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.872 16.072 -0.854 1.00 0.00 H new ATOM 0 HG SER A 46 4.926 16.007 1.199 1.00 0.00 H new ATOM 685 N ARG A 47 1.684 15.161 -2.256 1.00 0.00 N ATOM 686 CA ARG A 47 1.180 14.234 -3.297 1.00 0.00 C ATOM 687 C ARG A 47 2.085 13.004 -3.456 1.00 0.00 C ATOM 688 O ARG A 47 1.927 12.246 -4.411 1.00 0.00 O ATOM 689 CB ARG A 47 1.023 14.968 -4.639 1.00 0.00 C ATOM 690 CG ARG A 47 0.012 16.119 -4.573 1.00 0.00 C ATOM 691 CD ARG A 47 0.179 17.039 -5.785 1.00 0.00 C ATOM 692 NE ARG A 47 -0.358 18.380 -5.499 1.00 0.00 N ATOM 693 CZ ARG A 47 -0.271 19.447 -6.270 1.00 0.00 C ATOM 694 NH1 ARG A 47 0.205 19.387 -7.481 1.00 0.00 N ATOM 695 NH2 ARG A 47 -0.659 20.607 -5.825 1.00 0.00 N ATOM 0 H ARG A 47 2.552 15.620 -2.534 1.00 0.00 H new ATOM 0 HA ARG A 47 0.202 13.878 -2.973 1.00 0.00 H new ATOM 0 HB2 ARG A 47 1.992 15.359 -4.949 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.707 14.257 -5.402 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -1.002 15.721 -4.547 1.00 0.00 H new ATOM 0 HG3 ARG A 47 0.156 16.687 -3.654 1.00 0.00 H new ATOM 0 HD2 ARG A 47 1.234 17.113 -6.049 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -0.336 16.612 -6.646 1.00 0.00 H new ATOM 0 HE ARG A 47 -0.848 18.496 -4.612 1.00 0.00 H new ATOM 0 HH11 ARG A 47 0.524 18.495 -7.860 1.00 0.00 H new ATOM 0 HH12 ARG A 47 0.258 20.232 -8.050 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -1.031 20.692 -4.879 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -0.591 21.431 -6.422 1.00 0.00 H new ATOM 709 N SER A 48 3.048 12.820 -2.548 1.00 0.00 N ATOM 710 CA SER A 48 3.935 11.653 -2.494 1.00 0.00 C ATOM 711 C SER A 48 3.123 10.361 -2.502 1.00 0.00 C ATOM 712 O SER A 48 2.135 10.232 -1.773 1.00 0.00 O ATOM 713 CB SER A 48 4.816 11.699 -1.238 1.00 0.00 C ATOM 714 OG SER A 48 5.804 12.708 -1.375 1.00 0.00 O ATOM 0 H SER A 48 3.238 13.497 -1.809 1.00 0.00 H new ATOM 0 HA SER A 48 4.575 11.677 -3.376 1.00 0.00 H new ATOM 0 HB2 SER A 48 4.201 11.897 -0.360 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.292 10.731 -1.082 1.00 0.00 H new ATOM 0 HG SER A 48 6.361 12.732 -0.569 1.00 0.00 H new ATOM 720 N LYS A 49 3.554 9.407 -3.334 1.00 0.00 N ATOM 721 CA LYS A 49 2.951 8.076 -3.443 1.00 0.00 C ATOM 722 C LYS A 49 4.032 7.017 -3.265 1.00 0.00 C ATOM 723 O LYS A 49 5.142 7.173 -3.779 1.00 0.00 O ATOM 724 CB LYS A 49 2.186 7.905 -4.776 1.00 0.00 C ATOM 725 CG LYS A 49 1.348 9.145 -5.133 1.00 0.00 C ATOM 726 CD LYS A 49 0.224 8.943 -6.152 1.00 0.00 C ATOM 727 CE LYS A 49 0.712 8.415 -7.510 1.00 0.00 C ATOM 728 NZ LYS A 49 -0.062 9.006 -8.633 1.00 0.00 N ATOM 0 H LYS A 49 4.347 9.542 -3.962 1.00 0.00 H new ATOM 0 HA LYS A 49 2.212 7.955 -2.651 1.00 0.00 H new ATOM 0 HB2 LYS A 49 2.898 7.707 -5.578 1.00 0.00 H new ATOM 0 HB3 LYS A 49 1.533 7.035 -4.708 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.909 9.535 -4.215 1.00 0.00 H new ATOM 0 HG3 LYS A 49 2.021 9.912 -5.516 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.506 8.245 -5.742 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -0.292 9.891 -6.304 1.00 0.00 H new ATOM 0 HE2 LYS A 49 1.770 8.648 -7.633 1.00 0.00 H new ATOM 0 HE3 LYS A 49 0.619 7.329 -7.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 0.292 8.629 -9.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -1.068 8.763 -8.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 0.047 10.040 -8.623 1.00 0.00 H new ATOM 742 N ALA A 50 3.702 5.936 -2.567 1.00 0.00 N ATOM 743 CA ALA A 50 4.574 4.780 -2.383 1.00 0.00 C ATOM 744 C ALA A 50 3.882 3.536 -2.947 1.00 0.00 C ATOM 745 O ALA A 50 2.748 3.237 -2.573 1.00 0.00 O ATOM 746 CB ALA A 50 4.928 4.624 -0.905 1.00 0.00 C ATOM 0 H ALA A 50 2.800 5.836 -2.102 1.00 0.00 H new ATOM 0 HA ALA A 50 5.510 4.920 -2.924 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.579 3.759 -0.776 1.00 0.00 H new ATOM 0 HB2 ALA A 50 5.442 5.520 -0.557 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.016 4.481 -0.326 1.00 0.00 H new ATOM 752 N TYR A 51 4.539 2.843 -3.875 1.00 0.00 N ATOM 753 CA TYR A 51 4.028 1.639 -4.532 1.00 0.00 C ATOM 754 C TYR A 51 4.466 0.370 -3.781 1.00 0.00 C ATOM 755 O TYR A 51 5.639 -0.009 -3.824 1.00 0.00 O ATOM 756 CB TYR A 51 4.537 1.625 -5.986 1.00 0.00 C ATOM 757 CG TYR A 51 3.957 2.707 -6.879 1.00 0.00 C ATOM 758 CD1 TYR A 51 2.594 2.676 -7.239 1.00 0.00 C ATOM 759 CD2 TYR A 51 4.787 3.736 -7.369 1.00 0.00 C ATOM 760 CE1 TYR A 51 2.063 3.671 -8.084 1.00 0.00 C ATOM 761 CE2 TYR A 51 4.261 4.730 -8.216 1.00 0.00 C ATOM 762 CZ TYR A 51 2.895 4.698 -8.579 1.00 0.00 C ATOM 763 OH TYR A 51 2.380 5.647 -9.408 1.00 0.00 O ATOM 0 H TYR A 51 5.468 3.110 -4.201 1.00 0.00 H new ATOM 0 HA TYR A 51 2.938 1.652 -4.524 1.00 0.00 H new ATOM 0 HB2 TYR A 51 5.622 1.726 -5.976 1.00 0.00 H new ATOM 0 HB3 TYR A 51 4.311 0.653 -6.425 1.00 0.00 H new ATOM 0 HD1 TYR A 51 1.956 1.888 -6.866 1.00 0.00 H new ATOM 0 HD2 TYR A 51 5.831 3.762 -7.093 1.00 0.00 H new ATOM 0 HE1 TYR A 51 1.017 3.648 -8.353 1.00 0.00 H new ATOM 0 HE2 TYR A 51 4.901 5.517 -8.588 1.00 0.00 H new ATOM 0 HH TYR A 51 3.085 6.281 -9.657 1.00 0.00 H new ATOM 773 N VAL A 52 3.535 -0.289 -3.080 1.00 0.00 N ATOM 774 CA VAL A 52 3.816 -1.504 -2.283 1.00 0.00 C ATOM 775 C VAL A 52 3.490 -2.783 -3.071 1.00 0.00 C ATOM 776 O VAL A 52 2.370 -2.894 -3.575 1.00 0.00 O ATOM 777 CB VAL A 52 3.041 -1.485 -0.955 1.00 0.00 C ATOM 778 CG1 VAL A 52 3.248 -2.770 -0.144 1.00 0.00 C ATOM 779 CG2 VAL A 52 3.449 -0.270 -0.107 1.00 0.00 C ATOM 0 H VAL A 52 2.558 0.002 -3.045 1.00 0.00 H new ATOM 0 HA VAL A 52 4.883 -1.506 -2.062 1.00 0.00 H new ATOM 0 HB VAL A 52 1.983 -1.415 -1.209 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.681 -2.709 0.785 1.00 0.00 H new ATOM 0 HG12 VAL A 52 2.903 -3.626 -0.724 1.00 0.00 H new ATOM 0 HG13 VAL A 52 4.307 -2.889 0.085 1.00 0.00 H new ATOM 0 HG21 VAL A 52 2.889 -0.275 0.828 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.516 -0.319 0.108 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.231 0.646 -0.656 1.00 0.00 H new ATOM 789 N PRO A 53 4.421 -3.753 -3.190 1.00 0.00 N ATOM 790 CA PRO A 53 4.208 -4.993 -3.942 1.00 0.00 C ATOM 791 C PRO A 53 3.134 -5.877 -3.297 1.00 0.00 C ATOM 792 O PRO A 53 3.209 -6.182 -2.108 1.00 0.00 O ATOM 793 CB PRO A 53 5.567 -5.706 -3.957 1.00 0.00 C ATOM 794 CG PRO A 53 6.263 -5.182 -2.703 1.00 0.00 C ATOM 795 CD PRO A 53 5.760 -3.745 -2.613 1.00 0.00 C ATOM 0 HA PRO A 53 3.848 -4.780 -4.949 1.00 0.00 H new ATOM 0 HB2 PRO A 53 5.451 -6.789 -3.928 1.00 0.00 H new ATOM 0 HB3 PRO A 53 6.133 -5.470 -4.858 1.00 0.00 H new ATOM 0 HG2 PRO A 53 5.994 -5.761 -1.819 1.00 0.00 H new ATOM 0 HG3 PRO A 53 7.348 -5.226 -2.795 1.00 0.00 H new ATOM 0 HD2 PRO A 53 5.737 -3.403 -1.578 1.00 0.00 H new ATOM 0 HD3 PRO A 53 6.416 -3.067 -3.158 1.00 0.00 H new ATOM 803 N VAL A 54 2.166 -6.349 -4.086 1.00 0.00 N ATOM 804 CA VAL A 54 1.117 -7.271 -3.602 1.00 0.00 C ATOM 805 C VAL A 54 1.639 -8.655 -3.184 1.00 0.00 C ATOM 806 O VAL A 54 1.000 -9.330 -2.379 1.00 0.00 O ATOM 807 CB VAL A 54 -0.015 -7.443 -4.632 1.00 0.00 C ATOM 808 CG1 VAL A 54 -0.682 -6.105 -4.969 1.00 0.00 C ATOM 809 CG2 VAL A 54 0.460 -8.078 -5.944 1.00 0.00 C ATOM 0 H VAL A 54 2.081 -6.109 -5.074 1.00 0.00 H new ATOM 0 HA VAL A 54 0.728 -6.790 -2.705 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.730 -8.113 -4.154 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.475 -6.267 -5.699 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -1.105 -5.671 -4.063 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.060 -5.423 -5.385 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.383 -8.173 -6.629 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.226 -7.448 -6.397 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.875 -9.065 -5.741 1.00 0.00 H new ATOM 819 N GLU A 55 2.793 -9.091 -3.709 1.00 0.00 N ATOM 820 CA GLU A 55 3.371 -10.417 -3.425 1.00 0.00 C ATOM 821 C GLU A 55 3.986 -10.506 -2.023 1.00 0.00 C ATOM 822 O GLU A 55 3.781 -11.491 -1.308 1.00 0.00 O ATOM 823 CB GLU A 55 4.453 -10.786 -4.452 1.00 0.00 C ATOM 824 CG GLU A 55 3.950 -10.731 -5.898 1.00 0.00 C ATOM 825 CD GLU A 55 4.794 -11.641 -6.812 1.00 0.00 C ATOM 826 OE1 GLU A 55 5.996 -11.350 -7.032 1.00 0.00 O ATOM 827 OE2 GLU A 55 4.261 -12.662 -7.312 1.00 0.00 O ATOM 0 H GLU A 55 3.357 -8.531 -4.348 1.00 0.00 H new ATOM 0 HA GLU A 55 2.539 -11.119 -3.487 1.00 0.00 H new ATOM 0 HB2 GLU A 55 5.298 -10.107 -4.341 1.00 0.00 H new ATOM 0 HB3 GLU A 55 4.821 -11.790 -4.239 1.00 0.00 H new ATOM 0 HG2 GLU A 55 2.906 -11.040 -5.935 1.00 0.00 H new ATOM 0 HG3 GLU A 55 3.992 -9.705 -6.262 1.00 0.00 H new ATOM 834 N ALA A 56 4.739 -9.473 -1.631 1.00 0.00 N ATOM 835 CA ALA A 56 5.364 -9.357 -0.314 1.00 0.00 C ATOM 836 C ALA A 56 5.209 -7.927 0.251 1.00 0.00 C ATOM 837 O ALA A 56 6.200 -7.204 0.405 1.00 0.00 O ATOM 838 CB ALA A 56 6.828 -9.810 -0.447 1.00 0.00 C ATOM 0 H ALA A 56 4.934 -8.676 -2.237 1.00 0.00 H new ATOM 0 HA ALA A 56 4.869 -10.001 0.412 1.00 0.00 H new ATOM 0 HB1 ALA A 56 7.322 -9.734 0.522 1.00 0.00 H new ATOM 0 HB2 ALA A 56 6.859 -10.844 -0.790 1.00 0.00 H new ATOM 0 HB3 ALA A 56 7.342 -9.173 -1.167 1.00 0.00 H new ATOM 844 N PRO A 57 3.988 -7.518 0.650 1.00 0.00 N ATOM 845 CA PRO A 57 3.734 -6.154 1.115 1.00 0.00 C ATOM 846 C PRO A 57 4.382 -5.886 2.477 1.00 0.00 C ATOM 847 O PRO A 57 4.821 -4.774 2.749 1.00 0.00 O ATOM 848 CB PRO A 57 2.210 -6.017 1.139 1.00 0.00 C ATOM 849 CG PRO A 57 1.715 -7.446 1.359 1.00 0.00 C ATOM 850 CD PRO A 57 2.747 -8.278 0.598 1.00 0.00 C ATOM 0 HA PRO A 57 4.181 -5.407 0.458 1.00 0.00 H new ATOM 0 HB2 PRO A 57 1.881 -5.353 1.938 1.00 0.00 H new ATOM 0 HB3 PRO A 57 1.831 -5.603 0.205 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.685 -7.706 2.417 1.00 0.00 H new ATOM 0 HG3 PRO A 57 0.708 -7.591 0.967 1.00 0.00 H new ATOM 0 HD2 PRO A 57 2.871 -9.260 1.055 1.00 0.00 H new ATOM 0 HD3 PRO A 57 2.433 -8.443 -0.433 1.00 0.00 H new ATOM 858 N HIS A 58 4.518 -6.918 3.318 1.00 0.00 N ATOM 859 CA HIS A 58 5.211 -6.848 4.611 1.00 0.00 C ATOM 860 C HIS A 58 6.740 -6.722 4.481 1.00 0.00 C ATOM 861 O HIS A 58 7.385 -6.239 5.410 1.00 0.00 O ATOM 862 CB HIS A 58 4.813 -8.076 5.452 1.00 0.00 C ATOM 863 CG HIS A 58 5.124 -9.406 4.801 1.00 0.00 C ATOM 864 ND1 HIS A 58 6.373 -9.998 4.700 1.00 0.00 N ATOM 865 CD2 HIS A 58 4.211 -10.238 4.212 1.00 0.00 C ATOM 866 CE1 HIS A 58 6.220 -11.165 4.042 1.00 0.00 C ATOM 867 NE2 HIS A 58 4.914 -11.333 3.739 1.00 0.00 N ATOM 0 H HIS A 58 4.142 -7.844 3.115 1.00 0.00 H new ATOM 0 HA HIS A 58 4.896 -5.933 5.113 1.00 0.00 H new ATOM 0 HB2 HIS A 58 5.327 -8.026 6.412 1.00 0.00 H new ATOM 0 HB3 HIS A 58 3.744 -8.028 5.660 1.00 0.00 H new ATOM 0 HD2 HIS A 58 3.147 -10.072 4.132 1.00 0.00 H new ATOM 0 HE1 HIS A 58 7.014 -11.855 3.797 1.00 0.00 H new ATOM 0 HE2 HIS A 58 4.514 -12.131 3.246 1.00 0.00 H new ATOM 876 N SER A 59 7.334 -7.131 3.351 1.00 0.00 N ATOM 877 CA SER A 59 8.794 -7.135 3.120 1.00 0.00 C ATOM 878 C SER A 59 9.401 -5.724 3.132 1.00 0.00 C ATOM 879 O SER A 59 10.485 -5.512 3.679 1.00 0.00 O ATOM 880 CB SER A 59 9.110 -7.849 1.798 1.00 0.00 C ATOM 881 OG SER A 59 10.504 -8.001 1.588 1.00 0.00 O ATOM 0 H SER A 59 6.804 -7.477 2.551 1.00 0.00 H new ATOM 0 HA SER A 59 9.253 -7.676 3.947 1.00 0.00 H new ATOM 0 HB2 SER A 59 8.635 -8.830 1.795 1.00 0.00 H new ATOM 0 HB3 SER A 59 8.680 -7.284 0.971 1.00 0.00 H new ATOM 0 HG SER A 59 10.658 -8.461 0.737 1.00 0.00 H new ATOM 887 N VAL A 60 8.676 -4.736 2.590 1.00 0.00 N ATOM 888 CA VAL A 60 9.064 -3.306 2.613 1.00 0.00 C ATOM 889 C VAL A 60 8.881 -2.646 3.992 1.00 0.00 C ATOM 890 O VAL A 60 9.331 -1.519 4.202 1.00 0.00 O ATOM 891 CB VAL A 60 8.300 -2.493 1.541 1.00 0.00 C ATOM 892 CG1 VAL A 60 8.339 -3.171 0.163 1.00 0.00 C ATOM 893 CG2 VAL A 60 6.843 -2.217 1.935 1.00 0.00 C ATOM 0 H VAL A 60 7.789 -4.903 2.115 1.00 0.00 H new ATOM 0 HA VAL A 60 10.130 -3.293 2.385 1.00 0.00 H new ATOM 0 HB VAL A 60 8.822 -1.538 1.477 1.00 0.00 H new ATOM 0 HG11 VAL A 60 7.790 -2.564 -0.557 1.00 0.00 H new ATOM 0 HG12 VAL A 60 9.374 -3.273 -0.163 1.00 0.00 H new ATOM 0 HG13 VAL A 60 7.881 -4.158 0.230 1.00 0.00 H new ATOM 0 HG21 VAL A 60 6.355 -1.644 1.147 1.00 0.00 H new ATOM 0 HG22 VAL A 60 6.318 -3.162 2.074 1.00 0.00 H new ATOM 0 HG23 VAL A 60 6.819 -1.649 2.865 1.00 0.00 H new ATOM 903 N GLY A 61 8.210 -3.329 4.930 1.00 0.00 N ATOM 904 CA GLY A 61 7.859 -2.845 6.269 1.00 0.00 C ATOM 905 C GLY A 61 6.436 -2.275 6.413 1.00 0.00 C ATOM 906 O GLY A 61 6.087 -1.813 7.500 1.00 0.00 O ATOM 0 H GLY A 61 7.882 -4.281 4.766 1.00 0.00 H new ATOM 0 HA2 GLY A 61 7.976 -3.666 6.976 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.572 -2.073 6.556 1.00 0.00 H new ATOM 910 N LEU A 62 5.603 -2.300 5.361 1.00 0.00 N ATOM 911 CA LEU A 62 4.199 -1.862 5.424 1.00 0.00 C ATOM 912 C LEU A 62 3.344 -2.846 6.247 1.00 0.00 C ATOM 913 O LEU A 62 3.269 -4.034 5.917 1.00 0.00 O ATOM 914 CB LEU A 62 3.609 -1.695 4.004 1.00 0.00 C ATOM 915 CG LEU A 62 2.188 -1.086 4.042 1.00 0.00 C ATOM 916 CD1 LEU A 62 2.248 0.430 4.159 1.00 0.00 C ATOM 917 CD2 LEU A 62 1.345 -1.421 2.817 1.00 0.00 C ATOM 0 H LEU A 62 5.886 -2.627 4.437 1.00 0.00 H new ATOM 0 HA LEU A 62 4.178 -0.893 5.924 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.263 -1.055 3.411 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.576 -2.665 3.507 1.00 0.00 H new ATOM 0 HG LEU A 62 1.716 -1.532 4.917 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.236 0.833 4.184 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.770 0.704 5.076 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.781 0.840 3.301 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.362 -0.960 2.915 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.837 -1.041 1.922 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.232 -2.502 2.737 1.00 0.00 H new ATOM 929 N ARG A 63 2.670 -2.347 7.290 1.00 0.00 N ATOM 930 CA ARG A 63 1.717 -3.096 8.136 1.00 0.00 C ATOM 931 C ARG A 63 0.487 -2.251 8.493 1.00 0.00 C ATOM 932 O ARG A 63 0.492 -1.030 8.329 1.00 0.00 O ATOM 933 CB ARG A 63 2.430 -3.617 9.402 1.00 0.00 C ATOM 934 CG ARG A 63 3.385 -4.784 9.096 1.00 0.00 C ATOM 935 CD ARG A 63 4.003 -5.363 10.378 1.00 0.00 C ATOM 936 NE ARG A 63 4.094 -6.836 10.332 1.00 0.00 N ATOM 937 CZ ARG A 63 4.977 -7.590 9.700 1.00 0.00 C ATOM 938 NH1 ARG A 63 5.953 -7.083 9.000 1.00 0.00 N ATOM 939 NH2 ARG A 63 4.887 -8.887 9.760 1.00 0.00 N ATOM 0 H ARG A 63 2.773 -1.376 7.583 1.00 0.00 H new ATOM 0 HA ARG A 63 1.355 -3.951 7.565 1.00 0.00 H new ATOM 0 HB2 ARG A 63 2.990 -2.803 9.862 1.00 0.00 H new ATOM 0 HB3 ARG A 63 1.685 -3.941 10.129 1.00 0.00 H new ATOM 0 HG2 ARG A 63 2.844 -5.568 8.567 1.00 0.00 H new ATOM 0 HG3 ARG A 63 4.179 -4.441 8.432 1.00 0.00 H new ATOM 0 HD2 ARG A 63 4.998 -4.943 10.522 1.00 0.00 H new ATOM 0 HD3 ARG A 63 3.403 -5.064 11.237 1.00 0.00 H new ATOM 0 HE ARG A 63 3.380 -7.339 10.858 1.00 0.00 H new ATOM 0 HH11 ARG A 63 6.055 -6.071 8.926 1.00 0.00 H new ATOM 0 HH12 ARG A 63 6.614 -7.698 8.527 1.00 0.00 H new ATOM 0 HH21 ARG A 63 4.135 -9.322 10.295 1.00 0.00 H new ATOM 0 HH22 ARG A 63 5.568 -9.469 9.272 1.00 0.00 H new ATOM 953 N LYS A 64 -0.573 -2.894 8.994 1.00 0.00 N ATOM 954 CA LYS A 64 -1.803 -2.245 9.492 1.00 0.00 C ATOM 955 C LYS A 64 -1.507 -1.450 10.772 1.00 0.00 C ATOM 956 O LYS A 64 -0.905 -1.983 11.706 1.00 0.00 O ATOM 957 CB LYS A 64 -2.898 -3.302 9.745 1.00 0.00 C ATOM 958 CG LYS A 64 -3.286 -4.050 8.458 1.00 0.00 C ATOM 959 CD LYS A 64 -4.294 -5.181 8.694 1.00 0.00 C ATOM 960 CE LYS A 64 -4.436 -6.007 7.403 1.00 0.00 C ATOM 961 NZ LYS A 64 -5.847 -6.132 6.954 1.00 0.00 N ATOM 0 H LYS A 64 -0.605 -3.911 9.069 1.00 0.00 H new ATOM 0 HA LYS A 64 -2.165 -1.549 8.735 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -2.546 -4.018 10.488 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -3.780 -2.817 10.162 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -3.707 -3.340 7.746 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -2.387 -4.464 8.001 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -3.960 -5.818 9.513 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -5.260 -4.769 8.985 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -3.847 -5.542 6.612 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -4.021 -7.002 7.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -5.885 -6.697 6.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -6.407 -6.601 7.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -6.238 -5.186 6.771 1.00 0.00 H new ATOM 975 N ALA A 65 -1.926 -0.186 10.830 1.00 0.00 N ATOM 976 CA ALA A 65 -1.800 0.668 12.012 1.00 0.00 C ATOM 977 C ALA A 65 -2.959 0.399 12.995 1.00 0.00 C ATOM 978 O ALA A 65 -3.970 1.106 13.009 1.00 0.00 O ATOM 979 CB ALA A 65 -1.695 2.135 11.571 1.00 0.00 C ATOM 0 H ALA A 65 -2.371 0.283 10.041 1.00 0.00 H new ATOM 0 HA ALA A 65 -0.886 0.433 12.557 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -1.601 2.773 12.450 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -0.819 2.262 10.935 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -2.590 2.413 11.015 1.00 0.00 H new ATOM 985 N LEU A 66 -2.821 -0.665 13.795 1.00 0.00 N ATOM 986 CA LEU A 66 -3.796 -1.136 14.788 1.00 0.00 C ATOM 987 C LEU A 66 -4.099 -0.050 15.842 1.00 0.00 C ATOM 988 O LEU A 66 -3.240 0.299 16.657 1.00 0.00 O ATOM 989 CB LEU A 66 -3.275 -2.456 15.411 1.00 0.00 C ATOM 990 CG LEU A 66 -4.319 -3.596 15.440 1.00 0.00 C ATOM 991 CD1 LEU A 66 -3.699 -4.903 14.943 1.00 0.00 C ATOM 992 CD2 LEU A 66 -4.870 -3.831 16.848 1.00 0.00 C ATOM 0 H LEU A 66 -1.986 -1.250 13.767 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.750 -1.341 14.302 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.403 -2.791 14.849 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.941 -2.258 16.430 1.00 0.00 H new ATOM 0 HG LEU A 66 -5.136 -3.289 14.787 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -4.448 -5.694 14.970 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -3.346 -4.772 13.920 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.860 -5.175 15.584 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -5.600 -4.640 16.823 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -4.053 -4.100 17.518 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -5.350 -2.921 17.208 1.00 0.00 H new ATOM 1004 N ALA A 67 -5.306 0.522 15.795 1.00 0.00 N ATOM 1005 CA ALA A 67 -5.759 1.575 16.710 1.00 0.00 C ATOM 1006 C ALA A 67 -5.949 1.074 18.168 1.00 0.00 C ATOM 1007 O ALA A 67 -6.132 -0.130 18.393 1.00 0.00 O ATOM 1008 CB ALA A 67 -7.050 2.190 16.139 1.00 0.00 C ATOM 0 H ALA A 67 -6.011 0.261 15.105 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.983 2.338 16.777 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -7.404 2.976 16.805 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -6.847 2.612 15.155 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -7.814 1.417 16.052 1.00 0.00 H new ATOM 1014 N PRO A 68 -5.942 1.987 19.164 1.00 0.00 N ATOM 1015 CA PRO A 68 -6.215 1.670 20.569 1.00 0.00 C ATOM 1016 C PRO A 68 -7.705 1.358 20.832 1.00 0.00 C ATOM 1017 O PRO A 68 -8.554 1.437 19.941 1.00 0.00 O ATOM 1018 CB PRO A 68 -5.732 2.903 21.347 1.00 0.00 C ATOM 1019 CG PRO A 68 -5.980 4.048 20.369 1.00 0.00 C ATOM 1020 CD PRO A 68 -5.652 3.411 19.021 1.00 0.00 C ATOM 0 HA PRO A 68 -5.700 0.762 20.882 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -6.288 3.038 22.275 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -4.679 2.823 21.616 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -7.010 4.401 20.411 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -5.341 4.906 20.578 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -6.252 3.853 18.225 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -4.606 3.571 18.759 1.00 0.00 H new ATOM 1028 N GLU A 69 -8.027 1.016 22.082 1.00 0.00 N ATOM 1029 CA GLU A 69 -9.364 0.626 22.559 1.00 0.00 C ATOM 1030 C GLU A 69 -9.782 1.438 23.804 1.00 0.00 C ATOM 1031 O GLU A 69 -9.765 0.947 24.936 1.00 0.00 O ATOM 1032 CB GLU A 69 -9.437 -0.904 22.763 1.00 0.00 C ATOM 1033 CG GLU A 69 -8.265 -1.517 23.556 1.00 0.00 C ATOM 1034 CD GLU A 69 -8.526 -2.974 24.003 1.00 0.00 C ATOM 1035 OE1 GLU A 69 -9.290 -3.716 23.337 1.00 0.00 O ATOM 1036 OE2 GLU A 69 -7.939 -3.403 25.027 1.00 0.00 O ATOM 0 H GLU A 69 -7.332 1.002 22.828 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.099 0.874 21.794 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -10.367 -1.142 23.279 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.483 -1.383 21.785 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -7.365 -1.488 22.942 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -8.070 -0.904 24.436 1.00 0.00 H new ATOM 1043 N GLU A 70 -10.134 2.717 23.601 1.00 0.00 N ATOM 1044 CA GLU A 70 -10.537 3.658 24.669 1.00 0.00 C ATOM 1045 C GLU A 70 -11.789 3.208 25.460 1.00 0.00 C ATOM 1046 O GLU A 70 -11.737 3.204 26.711 1.00 0.00 O ATOM 1047 CB GLU A 70 -10.731 5.078 24.098 1.00 0.00 C ATOM 1048 CG GLU A 70 -10.448 6.167 25.153 1.00 0.00 C ATOM 1049 CD GLU A 70 -11.496 7.303 25.137 1.00 0.00 C ATOM 1050 OE1 GLU A 70 -12.577 7.155 25.763 1.00 0.00 O ATOM 1051 OE2 GLU A 70 -11.244 8.370 24.521 1.00 0.00 O ATOM 1052 OXT GLU A 70 -12.819 2.864 24.831 1.00 0.00 O ATOM 0 H GLU A 70 -10.148 3.139 22.672 1.00 0.00 H new ATOM 0 HA GLU A 70 -9.718 3.666 25.388 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -10.069 5.219 23.244 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -11.752 5.185 23.731 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -10.428 5.711 26.143 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -9.459 6.589 24.977 1.00 0.00 H new TER 1059 GLU A 70