USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 585 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 GLY N :NH3+ -124:sc= 0.0897 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot -55:sc= 0.0565 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 32:sc= 0.177 USER MOD Single : A 10 LYS NZ :NH3+ -118:sc= 0.291 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ -165:sc= -1.26 (180deg=-1.75) USER MOD Single : A 18 GLN : amide:sc= -0.26 K(o=-0.26,f=-0.86) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot -110:sc= -1.88! USER MOD Single : A 28 GLN : amide:sc= -0.176 X(o=-0.18,f=-0.57) USER MOD Single : A 29 ASN : amide:sc= -3.62! C(o=-3.6!,f=-4.9!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -59:sc= 0.19 USER MOD Single : A 45 LYS NZ :NH3+ -137:sc= 0.507 (180deg=0.00319) USER MOD Single : A 46 MET CE :methyl -173:sc= 0 (180deg=-0.0691) USER MOD Single : A 47 THR OG1 : rot -120:sc= -0.982 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -0.15 K(o=-0.15,f=-0.69) USER MOD Single : A 67 THR OG1 : rot -142:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 149:sc= -0.153 (180deg=-1.21) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 24:sc= 0.778 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.182 -3.003 -18.509 1.00 0.00 N ATOM 2 CA GLY A 1 7.751 -3.072 -18.739 1.00 0.00 C ATOM 3 C GLY A 1 7.391 -2.920 -20.203 1.00 0.00 C ATOM 4 O GLY A 1 8.267 -2.923 -21.068 1.00 0.00 O ATOM 0 H1 GLY A 1 9.496 -3.862 -18.014 1.00 0.00 H new ATOM 0 H2 GLY A 1 9.677 -2.929 -19.421 1.00 0.00 H new ATOM 0 H3 GLY A 1 9.400 -2.169 -17.928 1.00 0.00 H new ATOM 0 HA2 GLY A 1 7.373 -4.026 -18.372 1.00 0.00 H new ATOM 0 HA3 GLY A 1 7.256 -2.290 -18.163 1.00 0.00 H new ATOM 8 N SER A 2 6.099 -2.787 -20.483 1.00 0.00 N ATOM 9 CA SER A 2 5.624 -2.639 -21.854 1.00 0.00 C ATOM 10 C SER A 2 4.500 -1.610 -21.931 1.00 0.00 C ATOM 11 O SER A 2 3.537 -1.668 -21.166 1.00 0.00 O ATOM 12 CB SER A 2 5.139 -3.984 -22.397 1.00 0.00 C ATOM 13 OG SER A 2 4.698 -3.864 -23.738 1.00 0.00 O ATOM 0 H SER A 2 5.362 -2.779 -19.778 1.00 0.00 H new ATOM 0 HA SER A 2 6.456 -2.289 -22.465 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.946 -4.715 -22.340 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.326 -4.358 -21.776 1.00 0.00 H new ATOM 0 HG SER A 2 4.395 -4.738 -24.062 1.00 0.00 H new ATOM 19 N SER A 3 4.630 -0.669 -22.861 1.00 0.00 N ATOM 20 CA SER A 3 3.628 0.375 -23.037 1.00 0.00 C ATOM 21 C SER A 3 3.288 1.033 -21.703 1.00 0.00 C ATOM 22 O SER A 3 2.124 1.300 -21.408 1.00 0.00 O ATOM 23 CB SER A 3 2.362 -0.205 -23.669 1.00 0.00 C ATOM 24 OG SER A 3 1.554 0.818 -24.225 1.00 0.00 O ATOM 0 H SER A 3 5.420 -0.609 -23.504 1.00 0.00 H new ATOM 0 HA SER A 3 4.043 1.133 -23.701 1.00 0.00 H new ATOM 0 HB2 SER A 3 2.634 -0.920 -24.445 1.00 0.00 H new ATOM 0 HB3 SER A 3 1.794 -0.752 -22.917 1.00 0.00 H new ATOM 0 HG SER A 3 1.363 1.493 -23.540 1.00 0.00 H new ATOM 30 N GLY A 4 4.316 1.291 -20.899 1.00 0.00 N ATOM 31 CA GLY A 4 4.107 1.914 -19.605 1.00 0.00 C ATOM 32 C GLY A 4 3.196 1.099 -18.709 1.00 0.00 C ATOM 33 O GLY A 4 1.973 1.223 -18.778 1.00 0.00 O ATOM 0 H GLY A 4 5.289 1.080 -21.121 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.069 2.051 -19.111 1.00 0.00 H new ATOM 0 HA3 GLY A 4 3.678 2.906 -19.748 1.00 0.00 H new ATOM 37 N SER A 5 3.792 0.262 -17.866 1.00 0.00 N ATOM 38 CA SER A 5 3.026 -0.581 -16.956 1.00 0.00 C ATOM 39 C SER A 5 2.837 0.106 -15.607 1.00 0.00 C ATOM 40 O SER A 5 3.659 -0.042 -14.703 1.00 0.00 O ATOM 41 CB SER A 5 3.727 -1.927 -16.762 1.00 0.00 C ATOM 42 OG SER A 5 3.377 -2.837 -17.790 1.00 0.00 O ATOM 0 H SER A 5 4.803 0.150 -17.794 1.00 0.00 H new ATOM 0 HA SER A 5 2.044 -0.751 -17.398 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.807 -1.780 -16.754 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.455 -2.346 -15.793 1.00 0.00 H new ATOM 0 HG SER A 5 3.839 -3.689 -17.644 1.00 0.00 H new ATOM 48 N SER A 6 1.749 0.859 -15.481 1.00 0.00 N ATOM 49 CA SER A 6 1.453 1.573 -14.244 1.00 0.00 C ATOM 50 C SER A 6 0.003 1.354 -13.824 1.00 0.00 C ATOM 51 O SER A 6 -0.812 0.859 -14.601 1.00 0.00 O ATOM 52 CB SER A 6 1.726 3.069 -14.417 1.00 0.00 C ATOM 53 OG SER A 6 1.965 3.691 -13.167 1.00 0.00 O ATOM 0 H SER A 6 1.058 0.991 -16.220 1.00 0.00 H new ATOM 0 HA SER A 6 2.102 1.180 -13.462 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.588 3.212 -15.069 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.875 3.543 -14.906 1.00 0.00 H new ATOM 0 HG SER A 6 2.138 4.646 -13.305 1.00 0.00 H new ATOM 59 N GLY A 7 -0.311 1.727 -12.587 1.00 0.00 N ATOM 60 CA GLY A 7 -1.662 1.564 -12.084 1.00 0.00 C ATOM 61 C GLY A 7 -2.443 2.863 -12.087 1.00 0.00 C ATOM 62 O GLY A 7 -1.900 3.938 -12.344 1.00 0.00 O ATOM 0 H GLY A 7 0.346 2.139 -11.925 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.186 0.827 -12.692 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.623 1.169 -11.069 1.00 0.00 H new ATOM 66 N PRO A 8 -3.750 2.773 -11.799 1.00 0.00 N ATOM 67 CA PRO A 8 -4.635 3.941 -11.765 1.00 0.00 C ATOM 68 C PRO A 8 -4.338 4.859 -10.584 1.00 0.00 C ATOM 69 O PRO A 8 -3.755 4.436 -9.585 1.00 0.00 O ATOM 70 CB PRO A 8 -6.030 3.325 -11.625 1.00 0.00 C ATOM 71 CG PRO A 8 -5.797 2.003 -10.978 1.00 0.00 C ATOM 72 CD PRO A 8 -4.464 1.524 -11.483 1.00 0.00 C ATOM 0 HA PRO A 8 -4.517 4.568 -12.649 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -6.681 3.954 -11.018 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -6.512 3.211 -12.596 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -5.793 2.095 -9.892 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.588 1.298 -11.235 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -3.936 0.939 -10.730 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -4.572 0.889 -12.363 1.00 0.00 H new ATOM 80 N THR A 9 -4.742 6.120 -10.705 1.00 0.00 N ATOM 81 CA THR A 9 -4.518 7.099 -9.649 1.00 0.00 C ATOM 82 C THR A 9 -5.755 7.962 -9.428 1.00 0.00 C ATOM 83 O THR A 9 -6.268 8.581 -10.360 1.00 0.00 O ATOM 84 CB THR A 9 -3.320 8.012 -9.973 1.00 0.00 C ATOM 85 OG1 THR A 9 -3.514 8.642 -11.244 1.00 0.00 O ATOM 86 CG2 THR A 9 -2.023 7.217 -9.988 1.00 0.00 C ATOM 0 H THR A 9 -5.226 6.487 -11.524 1.00 0.00 H new ATOM 0 HA THR A 9 -4.302 6.538 -8.740 1.00 0.00 H new ATOM 0 HB THR A 9 -3.252 8.774 -9.197 1.00 0.00 H new ATOM 0 HG1 THR A 9 -4.472 8.784 -11.396 1.00 0.00 H new ATOM 0 HG21 THR A 9 -1.191 7.882 -10.219 1.00 0.00 H new ATOM 0 HG22 THR A 9 -1.864 6.762 -9.010 1.00 0.00 H new ATOM 0 HG23 THR A 9 -2.084 6.436 -10.746 1.00 0.00 H new ATOM 94 N LYS A 10 -6.230 8.001 -8.187 1.00 0.00 N ATOM 95 CA LYS A 10 -7.406 8.790 -7.842 1.00 0.00 C ATOM 96 C LYS A 10 -7.317 9.301 -6.408 1.00 0.00 C ATOM 97 O LYS A 10 -6.375 8.981 -5.682 1.00 0.00 O ATOM 98 CB LYS A 10 -8.676 7.955 -8.019 1.00 0.00 C ATOM 99 CG LYS A 10 -8.912 7.502 -9.450 1.00 0.00 C ATOM 100 CD LYS A 10 -9.334 8.659 -10.339 1.00 0.00 C ATOM 101 CE LYS A 10 -9.645 8.192 -11.752 1.00 0.00 C ATOM 102 NZ LYS A 10 -8.406 7.965 -12.547 1.00 0.00 N ATOM 0 H LYS A 10 -5.818 7.495 -7.403 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.446 9.648 -8.513 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -8.617 7.078 -7.374 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -9.534 8.539 -7.685 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -8.001 7.052 -9.845 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -9.682 6.730 -9.466 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -10.212 9.144 -9.914 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -8.540 9.405 -10.368 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -10.224 7.269 -11.710 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -10.266 8.935 -12.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -8.393 8.611 -13.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -7.573 8.144 -11.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -8.385 6.981 -12.884 1.00 0.00 H new ATOM 116 N TYR A 11 -8.303 10.094 -6.005 1.00 0.00 N ATOM 117 CA TYR A 11 -8.335 10.650 -4.657 1.00 0.00 C ATOM 118 C TYR A 11 -9.263 9.841 -3.756 1.00 0.00 C ATOM 119 O TYR A 11 -10.456 10.128 -3.657 1.00 0.00 O ATOM 120 CB TYR A 11 -8.787 12.110 -4.695 1.00 0.00 C ATOM 121 CG TYR A 11 -8.111 12.926 -5.773 1.00 0.00 C ATOM 122 CD1 TYR A 11 -6.836 13.445 -5.582 1.00 0.00 C ATOM 123 CD2 TYR A 11 -8.746 13.179 -6.983 1.00 0.00 C ATOM 124 CE1 TYR A 11 -6.214 14.192 -6.564 1.00 0.00 C ATOM 125 CE2 TYR A 11 -8.130 13.923 -7.971 1.00 0.00 C ATOM 126 CZ TYR A 11 -6.865 14.427 -7.757 1.00 0.00 C ATOM 127 OH TYR A 11 -6.249 15.170 -8.738 1.00 0.00 O ATOM 0 H TYR A 11 -9.091 10.367 -6.592 1.00 0.00 H new ATOM 0 HA TYR A 11 -7.326 10.600 -4.247 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -9.866 12.144 -4.848 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -8.588 12.568 -3.726 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -6.322 13.261 -4.650 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -9.738 12.787 -7.154 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -5.224 14.590 -6.398 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -8.637 14.109 -8.906 1.00 0.00 H new ATOM 0 HH TYR A 11 -6.842 15.241 -9.515 1.00 0.00 H new ATOM 137 N LYS A 12 -8.706 8.829 -3.100 1.00 0.00 N ATOM 138 CA LYS A 12 -9.481 7.977 -2.205 1.00 0.00 C ATOM 139 C LYS A 12 -8.675 7.620 -0.961 1.00 0.00 C ATOM 140 O LYS A 12 -7.455 7.776 -0.935 1.00 0.00 O ATOM 141 CB LYS A 12 -9.913 6.701 -2.930 1.00 0.00 C ATOM 142 CG LYS A 12 -11.221 6.845 -3.688 1.00 0.00 C ATOM 143 CD LYS A 12 -11.974 5.527 -3.757 1.00 0.00 C ATOM 144 CE LYS A 12 -12.865 5.329 -2.540 1.00 0.00 C ATOM 145 NZ LYS A 12 -12.070 5.181 -1.290 1.00 0.00 N ATOM 0 H LYS A 12 -7.720 8.578 -3.171 1.00 0.00 H new ATOM 0 HA LYS A 12 -10.368 8.529 -1.895 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -9.129 6.407 -3.628 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -10.011 5.895 -2.202 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -11.844 7.596 -3.201 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -11.020 7.203 -4.698 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -12.581 5.501 -4.662 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -11.263 4.704 -3.826 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -13.541 6.179 -2.442 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -13.485 4.444 -2.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -12.677 4.800 -0.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -11.277 4.530 -1.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -11.701 6.109 -1.001 1.00 0.00 H new ATOM 159 N GLU A 13 -9.366 7.140 0.069 1.00 0.00 N ATOM 160 CA GLU A 13 -8.712 6.760 1.316 1.00 0.00 C ATOM 161 C GLU A 13 -8.767 5.249 1.521 1.00 0.00 C ATOM 162 O GLU A 13 -9.784 4.611 1.247 1.00 0.00 O ATOM 163 CB GLU A 13 -9.371 7.471 2.500 1.00 0.00 C ATOM 164 CG GLU A 13 -8.687 7.201 3.829 1.00 0.00 C ATOM 165 CD GLU A 13 -9.261 8.032 4.960 1.00 0.00 C ATOM 166 OE1 GLU A 13 -9.708 9.167 4.695 1.00 0.00 O ATOM 167 OE2 GLU A 13 -9.263 7.546 6.111 1.00 0.00 O ATOM 0 H GLU A 13 -10.377 7.005 0.064 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.667 7.063 1.255 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -9.372 8.545 2.313 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -10.413 7.158 2.567 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -8.784 6.143 4.075 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -7.621 7.410 3.734 1.00 0.00 H new ATOM 174 N ARG A 14 -7.666 4.683 2.004 1.00 0.00 N ATOM 175 CA ARG A 14 -7.587 3.247 2.244 1.00 0.00 C ATOM 176 C ARG A 14 -8.257 2.879 3.565 1.00 0.00 C ATOM 177 O ARG A 14 -8.567 3.749 4.378 1.00 0.00 O ATOM 178 CB ARG A 14 -6.128 2.789 2.256 1.00 0.00 C ATOM 179 CG ARG A 14 -5.408 3.018 0.937 1.00 0.00 C ATOM 180 CD ARG A 14 -5.621 1.858 -0.023 1.00 0.00 C ATOM 181 NE ARG A 14 -5.207 2.190 -1.384 1.00 0.00 N ATOM 182 CZ ARG A 14 -5.956 2.888 -2.230 1.00 0.00 C ATOM 183 NH1 ARG A 14 -7.151 3.325 -1.858 1.00 0.00 N ATOM 184 NH2 ARG A 14 -5.510 3.149 -3.452 1.00 0.00 N ATOM 0 H ARG A 14 -6.816 5.197 2.237 1.00 0.00 H new ATOM 0 HA ARG A 14 -8.113 2.740 1.435 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -5.596 3.318 3.047 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -6.091 1.728 2.501 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -5.767 3.940 0.480 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -4.342 3.148 1.121 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -5.059 0.991 0.325 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -6.674 1.576 -0.023 1.00 0.00 H new ATOM 0 HE ARG A 14 -4.293 1.868 -1.702 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -7.498 3.125 -0.920 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -7.724 3.861 -2.510 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -4.591 2.814 -3.742 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -6.086 3.685 -4.101 1.00 0.00 H new ATOM 198 N ALA A 15 -8.477 1.585 3.771 1.00 0.00 N ATOM 199 CA ALA A 15 -9.108 1.102 4.993 1.00 0.00 C ATOM 200 C ALA A 15 -8.124 1.107 6.158 1.00 0.00 C ATOM 201 O ALA A 15 -6.908 1.150 5.974 1.00 0.00 O ATOM 202 CB ALA A 15 -9.670 -0.295 4.780 1.00 0.00 C ATOM 0 H ALA A 15 -8.227 0.852 3.107 1.00 0.00 H new ATOM 0 HA ALA A 15 -9.927 1.777 5.241 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -10.138 -0.643 5.701 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -10.412 -0.271 3.982 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -8.863 -0.974 4.504 1.00 0.00 H new ATOM 208 N PRO A 16 -8.661 1.063 7.387 1.00 0.00 N ATOM 209 CA PRO A 16 -7.847 1.061 8.606 1.00 0.00 C ATOM 210 C PRO A 16 -7.078 -0.243 8.788 1.00 0.00 C ATOM 211 O PRO A 16 -5.909 -0.236 9.171 1.00 0.00 O ATOM 212 CB PRO A 16 -8.880 1.233 9.722 1.00 0.00 C ATOM 213 CG PRO A 16 -10.148 0.699 9.150 1.00 0.00 C ATOM 214 CD PRO A 16 -10.103 1.010 7.680 1.00 0.00 C ATOM 0 HA PRO A 16 -7.085 1.840 8.588 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -8.589 0.686 10.619 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -8.984 2.280 10.007 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -10.231 -0.375 9.319 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -11.014 1.164 9.621 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -10.605 0.242 7.091 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -10.594 1.957 7.454 1.00 0.00 H new ATOM 222 N GLU A 17 -7.743 -1.360 8.510 1.00 0.00 N ATOM 223 CA GLU A 17 -7.120 -2.672 8.644 1.00 0.00 C ATOM 224 C GLU A 17 -5.970 -2.832 7.654 1.00 0.00 C ATOM 225 O GLU A 17 -4.875 -3.256 8.022 1.00 0.00 O ATOM 226 CB GLU A 17 -8.155 -3.777 8.425 1.00 0.00 C ATOM 227 CG GLU A 17 -9.129 -3.938 9.580 1.00 0.00 C ATOM 228 CD GLU A 17 -10.158 -5.022 9.329 1.00 0.00 C ATOM 229 OE1 GLU A 17 -9.816 -6.213 9.484 1.00 0.00 O ATOM 230 OE2 GLU A 17 -11.307 -4.679 8.978 1.00 0.00 O ATOM 0 H GLU A 17 -8.712 -1.383 8.191 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.720 -2.755 9.655 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.716 -3.562 7.515 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.636 -4.722 8.264 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -8.574 -4.173 10.488 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -9.640 -2.991 9.754 1.00 0.00 H new ATOM 237 N GLN A 18 -6.229 -2.491 6.395 1.00 0.00 N ATOM 238 CA GLN A 18 -5.217 -2.599 5.352 1.00 0.00 C ATOM 239 C GLN A 18 -4.011 -1.722 5.670 1.00 0.00 C ATOM 240 O GLN A 18 -2.885 -2.210 5.775 1.00 0.00 O ATOM 241 CB GLN A 18 -5.807 -2.203 3.997 1.00 0.00 C ATOM 242 CG GLN A 18 -7.086 -2.947 3.649 1.00 0.00 C ATOM 243 CD GLN A 18 -7.680 -2.501 2.328 1.00 0.00 C ATOM 244 OE1 GLN A 18 -8.851 -2.128 2.255 1.00 0.00 O ATOM 245 NE2 GLN A 18 -6.873 -2.536 1.273 1.00 0.00 N ATOM 0 H GLN A 18 -7.130 -2.138 6.074 1.00 0.00 H new ATOM 0 HA GLN A 18 -4.887 -3.637 5.308 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -6.008 -1.132 3.997 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -5.066 -2.388 3.219 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -6.880 -4.016 3.607 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -7.818 -2.794 4.442 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -5.909 -2.852 1.379 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -7.217 -2.247 0.358 1.00 0.00 H new ATOM 254 N LEU A 19 -4.253 -0.425 5.824 1.00 0.00 N ATOM 255 CA LEU A 19 -3.187 0.522 6.131 1.00 0.00 C ATOM 256 C LEU A 19 -2.361 0.045 7.322 1.00 0.00 C ATOM 257 O LEU A 19 -1.144 0.226 7.358 1.00 0.00 O ATOM 258 CB LEU A 19 -3.773 1.904 6.424 1.00 0.00 C ATOM 259 CG LEU A 19 -3.989 2.812 5.212 1.00 0.00 C ATOM 260 CD1 LEU A 19 -4.593 4.140 5.641 1.00 0.00 C ATOM 261 CD2 LEU A 19 -2.678 3.035 4.472 1.00 0.00 C ATOM 0 H LEU A 19 -5.179 -0.005 5.741 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.533 0.589 5.261 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.730 1.771 6.929 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.112 2.416 7.123 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.687 2.321 4.534 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.739 4.773 4.766 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.553 3.963 6.126 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.920 4.637 6.339 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.851 3.683 3.613 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.958 3.505 5.142 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.285 2.077 4.131 1.00 0.00 H new ATOM 273 N ARG A 20 -3.031 -0.567 8.292 1.00 0.00 N ATOM 274 CA ARG A 20 -2.360 -1.071 9.484 1.00 0.00 C ATOM 275 C ARG A 20 -1.177 -1.959 9.107 1.00 0.00 C ATOM 276 O ARG A 20 -0.126 -1.913 9.745 1.00 0.00 O ATOM 277 CB ARG A 20 -3.342 -1.856 10.356 1.00 0.00 C ATOM 278 CG ARG A 20 -2.882 -2.020 11.795 1.00 0.00 C ATOM 279 CD ARG A 20 -3.145 -0.763 12.610 1.00 0.00 C ATOM 280 NE ARG A 20 -2.482 -0.806 13.911 1.00 0.00 N ATOM 281 CZ ARG A 20 -1.168 -0.688 14.070 1.00 0.00 C ATOM 282 NH1 ARG A 20 -0.382 -0.520 13.017 1.00 0.00 N ATOM 283 NH2 ARG A 20 -0.639 -0.737 15.286 1.00 0.00 N ATOM 0 H ARG A 20 -4.038 -0.726 8.276 1.00 0.00 H new ATOM 0 HA ARG A 20 -1.987 -0.216 10.048 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -4.307 -1.350 10.348 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.496 -2.842 9.918 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -3.399 -2.865 12.250 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -1.817 -2.251 11.814 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -2.798 0.108 12.055 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.219 -0.642 12.754 1.00 0.00 H new ATOM 0 HE ARG A 20 -3.059 -0.934 14.742 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -0.785 -0.481 12.081 1.00 0.00 H new ATOM 0 HH12 ARG A 20 0.626 -0.430 13.142 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -1.241 -0.865 16.099 1.00 0.00 H new ATOM 0 HH22 ARG A 20 0.370 -0.646 15.407 1.00 0.00 H new ATOM 297 N ALA A 21 -1.358 -2.766 8.066 1.00 0.00 N ATOM 298 CA ALA A 21 -0.306 -3.663 7.604 1.00 0.00 C ATOM 299 C ALA A 21 0.715 -2.917 6.751 1.00 0.00 C ATOM 300 O ALA A 21 1.922 -3.024 6.973 1.00 0.00 O ATOM 301 CB ALA A 21 -0.906 -4.821 6.820 1.00 0.00 C ATOM 0 H ALA A 21 -2.223 -2.817 7.527 1.00 0.00 H new ATOM 0 HA ALA A 21 0.210 -4.060 8.479 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.109 -5.483 6.481 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.592 -5.377 7.460 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.448 -4.434 5.957 1.00 0.00 H new ATOM 307 N LEU A 22 0.224 -2.163 5.773 1.00 0.00 N ATOM 308 CA LEU A 22 1.094 -1.400 4.886 1.00 0.00 C ATOM 309 C LEU A 22 1.972 -0.437 5.679 1.00 0.00 C ATOM 310 O LEU A 22 3.197 -0.558 5.681 1.00 0.00 O ATOM 311 CB LEU A 22 0.260 -0.624 3.865 1.00 0.00 C ATOM 312 CG LEU A 22 -0.688 -1.456 3.001 1.00 0.00 C ATOM 313 CD1 LEU A 22 -1.705 -0.561 2.309 1.00 0.00 C ATOM 314 CD2 LEU A 22 0.094 -2.267 1.979 1.00 0.00 C ATOM 0 H LEU A 22 -0.772 -2.064 5.575 1.00 0.00 H new ATOM 0 HA LEU A 22 1.741 -2.102 4.360 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.328 0.123 4.399 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.940 -0.083 3.206 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.226 -2.148 3.649 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.371 -1.171 1.699 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.288 -0.026 3.058 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.186 0.156 1.673 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.597 -2.853 1.373 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.659 -1.593 1.335 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.781 -2.937 2.495 1.00 0.00 H new ATOM 326 N GLU A 23 1.337 0.517 6.352 1.00 0.00 N ATOM 327 CA GLU A 23 2.061 1.499 7.151 1.00 0.00 C ATOM 328 C GLU A 23 3.198 0.839 7.925 1.00 0.00 C ATOM 329 O GLU A 23 4.346 1.281 7.862 1.00 0.00 O ATOM 330 CB GLU A 23 1.110 2.202 8.121 1.00 0.00 C ATOM 331 CG GLU A 23 0.280 3.297 7.473 1.00 0.00 C ATOM 332 CD GLU A 23 -0.074 4.411 8.439 1.00 0.00 C ATOM 333 OE1 GLU A 23 0.811 5.241 8.736 1.00 0.00 O ATOM 334 OE2 GLU A 23 -1.234 4.453 8.898 1.00 0.00 O ATOM 0 H GLU A 23 0.323 0.631 6.360 1.00 0.00 H new ATOM 0 HA GLU A 23 2.487 2.238 6.472 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.441 1.462 8.561 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.690 2.632 8.937 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.831 3.714 6.630 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -0.637 2.864 7.072 1.00 0.00 H new ATOM 341 N SER A 24 2.871 -0.222 8.656 1.00 0.00 N ATOM 342 CA SER A 24 3.863 -0.941 9.447 1.00 0.00 C ATOM 343 C SER A 24 5.016 -1.416 8.569 1.00 0.00 C ATOM 344 O SER A 24 6.182 -1.327 8.955 1.00 0.00 O ATOM 345 CB SER A 24 3.216 -2.136 10.150 1.00 0.00 C ATOM 346 OG SER A 24 3.962 -2.520 11.292 1.00 0.00 O ATOM 0 H SER A 24 1.927 -0.603 8.717 1.00 0.00 H new ATOM 0 HA SER A 24 4.259 -0.257 10.198 1.00 0.00 H new ATOM 0 HB2 SER A 24 2.198 -1.881 10.445 1.00 0.00 H new ATOM 0 HB3 SER A 24 3.146 -2.975 9.458 1.00 0.00 H new ATOM 0 HG SER A 24 3.527 -3.284 11.725 1.00 0.00 H new ATOM 352 N SER A 25 4.682 -1.922 7.386 1.00 0.00 N ATOM 353 CA SER A 25 5.689 -2.416 6.454 1.00 0.00 C ATOM 354 C SER A 25 6.554 -1.272 5.934 1.00 0.00 C ATOM 355 O SER A 25 7.774 -1.400 5.828 1.00 0.00 O ATOM 356 CB SER A 25 5.020 -3.138 5.283 1.00 0.00 C ATOM 357 OG SER A 25 5.862 -4.149 4.759 1.00 0.00 O ATOM 0 H SER A 25 3.722 -2.001 7.050 1.00 0.00 H new ATOM 0 HA SER A 25 6.329 -3.119 6.987 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.079 -3.579 5.613 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.778 -2.420 4.500 1.00 0.00 H new ATOM 0 HG SER A 25 6.180 -3.882 3.871 1.00 0.00 H new ATOM 363 N PHE A 26 5.914 -0.154 5.609 1.00 0.00 N ATOM 364 CA PHE A 26 6.624 1.013 5.098 1.00 0.00 C ATOM 365 C PHE A 26 7.818 1.353 5.984 1.00 0.00 C ATOM 366 O PHE A 26 8.942 1.491 5.502 1.00 0.00 O ATOM 367 CB PHE A 26 5.679 2.213 5.013 1.00 0.00 C ATOM 368 CG PHE A 26 6.250 3.372 4.246 1.00 0.00 C ATOM 369 CD1 PHE A 26 6.799 3.184 2.988 1.00 0.00 C ATOM 370 CD2 PHE A 26 6.237 4.649 4.784 1.00 0.00 C ATOM 371 CE1 PHE A 26 7.326 4.249 2.281 1.00 0.00 C ATOM 372 CE2 PHE A 26 6.762 5.718 4.081 1.00 0.00 C ATOM 373 CZ PHE A 26 7.306 5.517 2.828 1.00 0.00 C ATOM 0 H PHE A 26 4.905 -0.031 5.690 1.00 0.00 H new ATOM 0 HA PHE A 26 6.991 0.777 4.099 1.00 0.00 H new ATOM 0 HB2 PHE A 26 4.748 1.899 4.542 1.00 0.00 H new ATOM 0 HB3 PHE A 26 5.431 2.542 6.022 1.00 0.00 H new ATOM 0 HD1 PHE A 26 6.816 2.195 2.555 1.00 0.00 H new ATOM 0 HD2 PHE A 26 5.812 4.811 5.764 1.00 0.00 H new ATOM 0 HE1 PHE A 26 7.753 4.089 1.302 1.00 0.00 H new ATOM 0 HE2 PHE A 26 6.746 6.708 4.511 1.00 0.00 H new ATOM 0 HZ PHE A 26 7.715 6.350 2.276 1.00 0.00 H new ATOM 383 N ALA A 27 7.566 1.488 7.282 1.00 0.00 N ATOM 384 CA ALA A 27 8.620 1.811 8.235 1.00 0.00 C ATOM 385 C ALA A 27 9.885 1.009 7.948 1.00 0.00 C ATOM 386 O ALA A 27 10.993 1.541 8.004 1.00 0.00 O ATOM 387 CB ALA A 27 8.142 1.556 9.657 1.00 0.00 C ATOM 0 H ALA A 27 6.641 1.379 7.697 1.00 0.00 H new ATOM 0 HA ALA A 27 8.860 2.869 8.128 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.939 1.801 10.358 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.271 2.178 9.865 1.00 0.00 H new ATOM 0 HB3 ALA A 27 7.872 0.506 9.767 1.00 0.00 H new ATOM 393 N GLN A 28 9.710 -0.273 7.642 1.00 0.00 N ATOM 394 CA GLN A 28 10.839 -1.148 7.348 1.00 0.00 C ATOM 395 C GLN A 28 11.468 -0.791 6.006 1.00 0.00 C ATOM 396 O GLN A 28 12.676 -0.575 5.913 1.00 0.00 O ATOM 397 CB GLN A 28 10.390 -2.610 7.342 1.00 0.00 C ATOM 398 CG GLN A 28 9.985 -3.128 8.713 1.00 0.00 C ATOM 399 CD GLN A 28 11.125 -3.087 9.712 1.00 0.00 C ATOM 400 OE1 GLN A 28 12.281 -3.329 9.363 1.00 0.00 O ATOM 401 NE2 GLN A 28 10.805 -2.778 10.964 1.00 0.00 N ATOM 0 H GLN A 28 8.799 -0.728 7.591 1.00 0.00 H new ATOM 0 HA GLN A 28 11.588 -1.009 8.128 1.00 0.00 H new ATOM 0 HB2 GLN A 28 9.548 -2.720 6.658 1.00 0.00 H new ATOM 0 HB3 GLN A 28 11.199 -3.228 6.954 1.00 0.00 H new ATOM 0 HG2 GLN A 28 9.154 -2.533 9.091 1.00 0.00 H new ATOM 0 HG3 GLN A 28 9.626 -4.153 8.619 1.00 0.00 H new ATOM 0 HE21 GLN A 28 9.834 -2.585 11.209 1.00 0.00 H new ATOM 0 HE22 GLN A 28 11.530 -2.734 11.680 1.00 0.00 H new ATOM 410 N ASN A 29 10.641 -0.733 4.967 1.00 0.00 N ATOM 411 CA ASN A 29 11.118 -0.404 3.628 1.00 0.00 C ATOM 412 C ASN A 29 10.006 0.226 2.795 1.00 0.00 C ATOM 413 O ASN A 29 8.837 -0.151 2.887 1.00 0.00 O ATOM 414 CB ASN A 29 11.646 -1.658 2.930 1.00 0.00 C ATOM 415 CG ASN A 29 10.948 -2.919 3.401 1.00 0.00 C ATOM 416 OD1 ASN A 29 11.143 -3.364 4.532 1.00 0.00 O ATOM 417 ND2 ASN A 29 10.131 -3.503 2.532 1.00 0.00 N ATOM 0 H ASN A 29 9.638 -0.909 5.026 1.00 0.00 H new ATOM 0 HA ASN A 29 11.929 0.318 3.725 1.00 0.00 H new ATOM 0 HB2 ASN A 29 11.514 -1.554 1.853 1.00 0.00 H new ATOM 0 HB3 ASN A 29 12.717 -1.749 3.113 1.00 0.00 H new ATOM 0 HD21 ASN A 29 9.635 -4.356 2.792 1.00 0.00 H new ATOM 0 HD22 ASN A 29 9.999 -3.099 1.605 1.00 0.00 H new ATOM 424 N PRO A 30 10.376 1.209 1.960 1.00 0.00 N ATOM 425 CA PRO A 30 9.426 1.911 1.093 1.00 0.00 C ATOM 426 C PRO A 30 8.899 1.023 -0.029 1.00 0.00 C ATOM 427 O PRO A 30 7.695 0.974 -0.283 1.00 0.00 O ATOM 428 CB PRO A 30 10.254 3.064 0.520 1.00 0.00 C ATOM 429 CG PRO A 30 11.663 2.584 0.579 1.00 0.00 C ATOM 430 CD PRO A 30 11.752 1.710 1.799 1.00 0.00 C ATOM 0 HA PRO A 30 8.539 2.235 1.638 1.00 0.00 H new ATOM 0 HB2 PRO A 30 9.957 3.295 -0.503 1.00 0.00 H new ATOM 0 HB3 PRO A 30 10.121 3.975 1.104 1.00 0.00 H new ATOM 0 HG2 PRO A 30 11.923 2.026 -0.321 1.00 0.00 H new ATOM 0 HG3 PRO A 30 12.358 3.421 0.647 1.00 0.00 H new ATOM 0 HD2 PRO A 30 12.463 0.895 1.659 1.00 0.00 H new ATOM 0 HD3 PRO A 30 12.080 2.272 2.673 1.00 0.00 H new ATOM 438 N LEU A 31 9.808 0.323 -0.698 1.00 0.00 N ATOM 439 CA LEU A 31 9.435 -0.565 -1.794 1.00 0.00 C ATOM 440 C LEU A 31 9.792 -2.012 -1.469 1.00 0.00 C ATOM 441 O LEU A 31 10.858 -2.510 -1.830 1.00 0.00 O ATOM 442 CB LEU A 31 10.132 -0.134 -3.086 1.00 0.00 C ATOM 443 CG LEU A 31 9.649 1.179 -3.704 1.00 0.00 C ATOM 444 CD1 LEU A 31 10.384 1.458 -5.005 1.00 0.00 C ATOM 445 CD2 LEU A 31 8.146 1.137 -3.936 1.00 0.00 C ATOM 0 H LEU A 31 10.808 0.353 -0.501 1.00 0.00 H new ATOM 0 HA LEU A 31 8.356 -0.498 -1.931 1.00 0.00 H new ATOM 0 HB2 LEU A 31 11.200 -0.047 -2.887 1.00 0.00 H new ATOM 0 HB3 LEU A 31 10.008 -0.927 -3.824 1.00 0.00 H new ATOM 0 HG LEU A 31 9.866 1.989 -3.007 1.00 0.00 H new ATOM 0 HD11 LEU A 31 10.027 2.396 -5.430 1.00 0.00 H new ATOM 0 HD12 LEU A 31 11.454 1.532 -4.810 1.00 0.00 H new ATOM 0 HD13 LEU A 31 10.199 0.647 -5.709 1.00 0.00 H new ATOM 0 HD21 LEU A 31 7.819 2.079 -4.376 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.905 0.317 -4.613 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.635 0.984 -2.985 1.00 0.00 H new ATOM 457 N PRO A 32 8.879 -2.704 -0.771 1.00 0.00 N ATOM 458 CA PRO A 32 9.074 -4.104 -0.384 1.00 0.00 C ATOM 459 C PRO A 32 9.020 -5.049 -1.579 1.00 0.00 C ATOM 460 O PRO A 32 8.334 -4.780 -2.566 1.00 0.00 O ATOM 461 CB PRO A 32 7.905 -4.376 0.566 1.00 0.00 C ATOM 462 CG PRO A 32 6.854 -3.400 0.161 1.00 0.00 C ATOM 463 CD PRO A 32 7.587 -2.173 -0.307 1.00 0.00 C ATOM 0 HA PRO A 32 10.053 -4.270 0.065 1.00 0.00 H new ATOM 0 HB2 PRO A 32 7.550 -5.402 0.473 1.00 0.00 H new ATOM 0 HB3 PRO A 32 8.198 -4.233 1.606 1.00 0.00 H new ATOM 0 HG2 PRO A 32 6.228 -3.807 -0.633 1.00 0.00 H new ATOM 0 HG3 PRO A 32 6.195 -3.166 0.997 1.00 0.00 H new ATOM 0 HD2 PRO A 32 7.050 -1.665 -1.108 1.00 0.00 H new ATOM 0 HD3 PRO A 32 7.716 -1.450 0.499 1.00 0.00 H new ATOM 471 N LEU A 33 9.747 -6.157 -1.485 1.00 0.00 N ATOM 472 CA LEU A 33 9.782 -7.143 -2.560 1.00 0.00 C ATOM 473 C LEU A 33 8.503 -7.975 -2.577 1.00 0.00 C ATOM 474 O LEU A 33 7.607 -7.771 -1.758 1.00 0.00 O ATOM 475 CB LEU A 33 10.996 -8.059 -2.399 1.00 0.00 C ATOM 476 CG LEU A 33 12.360 -7.416 -2.656 1.00 0.00 C ATOM 477 CD1 LEU A 33 13.480 -8.360 -2.247 1.00 0.00 C ATOM 478 CD2 LEU A 33 12.498 -7.025 -4.121 1.00 0.00 C ATOM 0 H LEU A 33 10.320 -6.395 -0.676 1.00 0.00 H new ATOM 0 HA LEU A 33 9.860 -6.609 -3.507 1.00 0.00 H new ATOM 0 HB2 LEU A 33 10.991 -8.461 -1.386 1.00 0.00 H new ATOM 0 HB3 LEU A 33 10.881 -8.904 -3.078 1.00 0.00 H new ATOM 0 HG LEU A 33 12.434 -6.512 -2.051 1.00 0.00 H new ATOM 0 HD11 LEU A 33 14.443 -7.886 -2.437 1.00 0.00 H new ATOM 0 HD12 LEU A 33 13.392 -8.590 -1.185 1.00 0.00 H new ATOM 0 HD13 LEU A 33 13.409 -9.281 -2.825 1.00 0.00 H new ATOM 0 HD21 LEU A 33 13.474 -6.569 -4.285 1.00 0.00 H new ATOM 0 HD22 LEU A 33 12.403 -7.913 -4.745 1.00 0.00 H new ATOM 0 HD23 LEU A 33 11.716 -6.312 -4.383 1.00 0.00 H new ATOM 490 N ASP A 34 8.426 -8.913 -3.514 1.00 0.00 N ATOM 491 CA ASP A 34 7.258 -9.778 -3.636 1.00 0.00 C ATOM 492 C ASP A 34 7.079 -10.629 -2.383 1.00 0.00 C ATOM 493 O ASP A 34 5.976 -10.739 -1.849 1.00 0.00 O ATOM 494 CB ASP A 34 7.391 -10.679 -4.865 1.00 0.00 C ATOM 495 CG ASP A 34 8.835 -11.003 -5.193 1.00 0.00 C ATOM 496 OD1 ASP A 34 9.542 -10.110 -5.706 1.00 0.00 O ATOM 497 OD2 ASP A 34 9.259 -12.150 -4.936 1.00 0.00 O ATOM 0 H ASP A 34 9.158 -9.094 -4.200 1.00 0.00 H new ATOM 0 HA ASP A 34 6.378 -9.145 -3.752 1.00 0.00 H new ATOM 0 HB2 ASP A 34 6.844 -11.606 -4.693 1.00 0.00 H new ATOM 0 HB3 ASP A 34 6.928 -10.190 -5.722 1.00 0.00 H new ATOM 502 N GLU A 35 8.171 -11.230 -1.921 1.00 0.00 N ATOM 503 CA GLU A 35 8.133 -12.073 -0.732 1.00 0.00 C ATOM 504 C GLU A 35 7.426 -11.361 0.418 1.00 0.00 C ATOM 505 O GLU A 35 6.396 -11.823 0.907 1.00 0.00 O ATOM 506 CB GLU A 35 9.552 -12.462 -0.309 1.00 0.00 C ATOM 507 CG GLU A 35 10.347 -13.149 -1.407 1.00 0.00 C ATOM 508 CD GLU A 35 11.540 -13.916 -0.870 1.00 0.00 C ATOM 509 OE1 GLU A 35 12.583 -13.283 -0.607 1.00 0.00 O ATOM 510 OE2 GLU A 35 11.429 -15.150 -0.713 1.00 0.00 O ATOM 0 H GLU A 35 9.092 -11.149 -2.352 1.00 0.00 H new ATOM 0 HA GLU A 35 7.574 -12.976 -0.977 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.086 -11.566 0.009 1.00 0.00 H new ATOM 0 HB3 GLU A 35 9.496 -13.123 0.556 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.694 -13.833 -1.950 1.00 0.00 H new ATOM 0 HG3 GLU A 35 10.692 -12.402 -2.122 1.00 0.00 H new ATOM 517 N GLU A 36 7.987 -10.233 0.843 1.00 0.00 N ATOM 518 CA GLU A 36 7.411 -9.458 1.935 1.00 0.00 C ATOM 519 C GLU A 36 5.982 -9.036 1.608 1.00 0.00 C ATOM 520 O GLU A 36 5.154 -8.861 2.502 1.00 0.00 O ATOM 521 CB GLU A 36 8.267 -8.222 2.220 1.00 0.00 C ATOM 522 CG GLU A 36 7.606 -7.227 3.159 1.00 0.00 C ATOM 523 CD GLU A 36 7.080 -7.880 4.423 1.00 0.00 C ATOM 524 OE1 GLU A 36 7.903 -8.350 5.236 1.00 0.00 O ATOM 525 OE2 GLU A 36 5.844 -7.919 4.599 1.00 0.00 O ATOM 0 H GLU A 36 8.839 -9.836 0.448 1.00 0.00 H new ATOM 0 HA GLU A 36 7.391 -10.090 2.823 1.00 0.00 H new ATOM 0 HB2 GLU A 36 9.217 -8.540 2.651 1.00 0.00 H new ATOM 0 HB3 GLU A 36 8.495 -7.723 1.278 1.00 0.00 H new ATOM 0 HG2 GLU A 36 8.325 -6.452 3.426 1.00 0.00 H new ATOM 0 HG3 GLU A 36 6.784 -6.734 2.640 1.00 0.00 H new ATOM 532 N LEU A 37 5.700 -8.873 0.320 1.00 0.00 N ATOM 533 CA LEU A 37 4.371 -8.471 -0.128 1.00 0.00 C ATOM 534 C LEU A 37 3.371 -9.610 0.043 1.00 0.00 C ATOM 535 O LEU A 37 2.225 -9.390 0.435 1.00 0.00 O ATOM 536 CB LEU A 37 4.415 -8.031 -1.592 1.00 0.00 C ATOM 537 CG LEU A 37 4.999 -6.643 -1.858 1.00 0.00 C ATOM 538 CD1 LEU A 37 5.441 -6.519 -3.308 1.00 0.00 C ATOM 539 CD2 LEU A 37 3.984 -5.562 -1.514 1.00 0.00 C ATOM 0 H LEU A 37 6.374 -9.013 -0.433 1.00 0.00 H new ATOM 0 HA LEU A 37 4.046 -7.632 0.487 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.997 -8.762 -2.153 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.401 -8.059 -1.990 1.00 0.00 H new ATOM 0 HG LEU A 37 5.873 -6.509 -1.220 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.854 -5.525 -3.479 1.00 0.00 H new ATOM 0 HD12 LEU A 37 6.202 -7.270 -3.522 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.584 -6.674 -3.964 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.417 -4.581 -1.710 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.091 -5.693 -2.126 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.716 -5.637 -0.460 1.00 0.00 H new ATOM 551 N ASP A 38 3.813 -10.827 -0.253 1.00 0.00 N ATOM 552 CA ASP A 38 2.958 -12.002 -0.130 1.00 0.00 C ATOM 553 C ASP A 38 2.253 -12.022 1.223 1.00 0.00 C ATOM 554 O ASP A 38 1.065 -12.331 1.311 1.00 0.00 O ATOM 555 CB ASP A 38 3.780 -13.279 -0.308 1.00 0.00 C ATOM 556 CG ASP A 38 2.947 -14.534 -0.137 1.00 0.00 C ATOM 557 OD1 ASP A 38 2.476 -14.783 0.992 1.00 0.00 O ATOM 558 OD2 ASP A 38 2.766 -15.267 -1.132 1.00 0.00 O ATOM 0 H ASP A 38 4.759 -11.026 -0.580 1.00 0.00 H new ATOM 0 HA ASP A 38 2.202 -11.953 -0.914 1.00 0.00 H new ATOM 0 HB2 ASP A 38 4.234 -13.280 -1.299 1.00 0.00 H new ATOM 0 HB3 ASP A 38 4.595 -13.286 0.416 1.00 0.00 H new ATOM 563 N ARG A 39 2.994 -11.690 2.275 1.00 0.00 N ATOM 564 CA ARG A 39 2.441 -11.672 3.624 1.00 0.00 C ATOM 565 C ARG A 39 1.402 -10.564 3.771 1.00 0.00 C ATOM 566 O ARG A 39 0.248 -10.821 4.116 1.00 0.00 O ATOM 567 CB ARG A 39 3.556 -11.480 4.653 1.00 0.00 C ATOM 568 CG ARG A 39 4.322 -12.755 4.967 1.00 0.00 C ATOM 569 CD ARG A 39 5.415 -12.509 5.995 1.00 0.00 C ATOM 570 NE ARG A 39 4.871 -12.302 7.334 1.00 0.00 N ATOM 571 CZ ARG A 39 4.567 -13.293 8.165 1.00 0.00 C ATOM 572 NH1 ARG A 39 4.754 -14.553 7.797 1.00 0.00 N ATOM 573 NH2 ARG A 39 4.075 -13.024 9.368 1.00 0.00 N ATOM 0 H ARG A 39 3.979 -11.430 2.219 1.00 0.00 H new ATOM 0 HA ARG A 39 1.953 -12.630 3.802 1.00 0.00 H new ATOM 0 HB2 ARG A 39 4.254 -10.729 4.284 1.00 0.00 H new ATOM 0 HB3 ARG A 39 3.125 -11.089 5.575 1.00 0.00 H new ATOM 0 HG2 ARG A 39 3.633 -13.512 5.341 1.00 0.00 H new ATOM 0 HG3 ARG A 39 4.764 -13.150 4.052 1.00 0.00 H new ATOM 0 HD2 ARG A 39 6.098 -13.359 6.009 1.00 0.00 H new ATOM 0 HD3 ARG A 39 5.998 -11.636 5.702 1.00 0.00 H new ATOM 0 HE ARG A 39 4.716 -11.344 7.649 1.00 0.00 H new ATOM 0 HH11 ARG A 39 5.132 -14.764 6.874 1.00 0.00 H new ATOM 0 HH12 ARG A 39 4.520 -15.311 8.437 1.00 0.00 H new ATOM 0 HH21 ARG A 39 3.930 -12.056 9.655 1.00 0.00 H new ATOM 0 HH22 ARG A 39 3.842 -13.785 10.006 1.00 0.00 H new ATOM 587 N LEU A 40 1.819 -9.330 3.507 1.00 0.00 N ATOM 588 CA LEU A 40 0.926 -8.182 3.610 1.00 0.00 C ATOM 589 C LEU A 40 -0.379 -8.438 2.862 1.00 0.00 C ATOM 590 O LEU A 40 -1.465 -8.191 3.387 1.00 0.00 O ATOM 591 CB LEU A 40 1.607 -6.930 3.056 1.00 0.00 C ATOM 592 CG LEU A 40 2.883 -6.487 3.772 1.00 0.00 C ATOM 593 CD1 LEU A 40 3.614 -5.431 2.957 1.00 0.00 C ATOM 594 CD2 LEU A 40 2.559 -5.960 5.163 1.00 0.00 C ATOM 0 H LEU A 40 2.770 -9.100 3.220 1.00 0.00 H new ATOM 0 HA LEU A 40 0.695 -8.026 4.664 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.845 -7.105 2.007 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.892 -6.108 3.088 1.00 0.00 H new ATOM 0 HG LEU A 40 3.537 -7.353 3.876 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.520 -5.128 3.483 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.880 -5.843 1.983 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.967 -4.565 2.820 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.479 -5.649 5.658 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.885 -5.107 5.081 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.080 -6.746 5.747 1.00 0.00 H new ATOM 606 N ARG A 41 -0.264 -8.937 1.636 1.00 0.00 N ATOM 607 CA ARG A 41 -1.434 -9.228 0.817 1.00 0.00 C ATOM 608 C ARG A 41 -2.538 -9.868 1.653 1.00 0.00 C ATOM 609 O ARG A 41 -3.720 -9.751 1.333 1.00 0.00 O ATOM 610 CB ARG A 41 -1.055 -10.153 -0.341 1.00 0.00 C ATOM 611 CG ARG A 41 -0.587 -9.413 -1.584 1.00 0.00 C ATOM 612 CD ARG A 41 -0.913 -10.190 -2.850 1.00 0.00 C ATOM 613 NE ARG A 41 -0.304 -11.517 -2.851 1.00 0.00 N ATOM 614 CZ ARG A 41 -0.623 -12.472 -3.717 1.00 0.00 C ATOM 615 NH1 ARG A 41 -1.540 -12.248 -4.648 1.00 0.00 N ATOM 616 NH2 ARG A 41 -0.024 -13.654 -3.653 1.00 0.00 N ATOM 0 H ARG A 41 0.628 -9.148 1.188 1.00 0.00 H new ATOM 0 HA ARG A 41 -1.807 -8.287 0.414 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -0.265 -10.828 -0.012 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -1.916 -10.770 -0.598 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -1.061 -8.432 -1.625 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.488 -9.245 -1.526 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -1.994 -10.288 -2.947 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -0.564 -9.631 -3.718 1.00 0.00 H new ATOM 0 HE ARG A 41 0.406 -11.722 -2.148 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -2.002 -11.340 -4.700 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -1.783 -12.983 -5.312 1.00 0.00 H new ATOM 0 HH21 ARG A 41 0.682 -13.830 -2.938 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -0.270 -14.387 -4.319 1.00 0.00 H new ATOM 630 N SER A 42 -2.142 -10.546 2.726 1.00 0.00 N ATOM 631 CA SER A 42 -3.098 -11.209 3.606 1.00 0.00 C ATOM 632 C SER A 42 -3.890 -10.187 4.416 1.00 0.00 C ATOM 633 O SER A 42 -5.116 -10.125 4.326 1.00 0.00 O ATOM 634 CB SER A 42 -2.372 -12.171 4.549 1.00 0.00 C ATOM 635 OG SER A 42 -1.757 -13.224 3.827 1.00 0.00 O ATOM 0 H SER A 42 -1.167 -10.651 3.007 1.00 0.00 H new ATOM 0 HA SER A 42 -3.794 -11.774 2.986 1.00 0.00 H new ATOM 0 HB2 SER A 42 -1.618 -11.628 5.119 1.00 0.00 H new ATOM 0 HB3 SER A 42 -3.079 -12.583 5.268 1.00 0.00 H new ATOM 0 HG SER A 42 -1.298 -13.824 4.451 1.00 0.00 H new ATOM 641 N GLU A 43 -3.180 -9.387 5.205 1.00 0.00 N ATOM 642 CA GLU A 43 -3.817 -8.368 6.031 1.00 0.00 C ATOM 643 C GLU A 43 -4.505 -7.318 5.165 1.00 0.00 C ATOM 644 O GLU A 43 -5.651 -6.942 5.416 1.00 0.00 O ATOM 645 CB GLU A 43 -2.784 -7.699 6.940 1.00 0.00 C ATOM 646 CG GLU A 43 -2.019 -8.676 7.816 1.00 0.00 C ATOM 647 CD GLU A 43 -1.489 -8.033 9.083 1.00 0.00 C ATOM 648 OE1 GLU A 43 -0.635 -7.128 8.977 1.00 0.00 O ATOM 649 OE2 GLU A 43 -1.928 -8.436 10.181 1.00 0.00 O ATOM 0 H GLU A 43 -2.164 -9.425 5.290 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.572 -8.856 6.648 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -2.076 -7.145 6.324 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.289 -6.972 7.576 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -2.671 -9.508 8.081 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -1.186 -9.092 7.249 1.00 0.00 H new ATOM 656 N THR A 44 -3.798 -6.846 4.143 1.00 0.00 N ATOM 657 CA THR A 44 -4.339 -5.837 3.240 1.00 0.00 C ATOM 658 C THR A 44 -5.367 -6.443 2.292 1.00 0.00 C ATOM 659 O THR A 44 -6.217 -5.738 1.748 1.00 0.00 O ATOM 660 CB THR A 44 -3.225 -5.169 2.412 1.00 0.00 C ATOM 661 OG1 THR A 44 -2.488 -6.162 1.691 1.00 0.00 O ATOM 662 CG2 THR A 44 -2.282 -4.383 3.310 1.00 0.00 C ATOM 0 H THR A 44 -2.849 -7.146 3.920 1.00 0.00 H new ATOM 0 HA THR A 44 -4.822 -5.083 3.861 1.00 0.00 H new ATOM 0 HB THR A 44 -3.690 -4.480 1.707 1.00 0.00 H new ATOM 0 HG1 THR A 44 -2.100 -6.804 2.322 1.00 0.00 H new ATOM 0 HG21 THR A 44 -1.504 -3.920 2.704 1.00 0.00 H new ATOM 0 HG22 THR A 44 -2.841 -3.609 3.836 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.825 -5.056 4.035 1.00 0.00 H new ATOM 670 N LYS A 45 -5.286 -7.755 2.098 1.00 0.00 N ATOM 671 CA LYS A 45 -6.210 -8.458 1.217 1.00 0.00 C ATOM 672 C LYS A 45 -6.162 -7.881 -0.194 1.00 0.00 C ATOM 673 O LYS A 45 -7.163 -7.884 -0.910 1.00 0.00 O ATOM 674 CB LYS A 45 -7.636 -8.372 1.766 1.00 0.00 C ATOM 675 CG LYS A 45 -7.820 -9.084 3.095 1.00 0.00 C ATOM 676 CD LYS A 45 -7.740 -10.593 2.935 1.00 0.00 C ATOM 677 CE LYS A 45 -8.454 -11.313 4.069 1.00 0.00 C ATOM 678 NZ LYS A 45 -7.773 -11.101 5.376 1.00 0.00 N ATOM 0 H LYS A 45 -4.588 -8.354 2.540 1.00 0.00 H new ATOM 0 HA LYS A 45 -5.906 -9.504 1.174 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -7.908 -7.323 1.885 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.324 -8.799 1.036 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -7.055 -8.751 3.796 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -8.785 -8.813 3.523 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -8.183 -10.883 1.982 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.695 -10.902 2.907 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -9.483 -10.958 4.134 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -8.498 -12.380 3.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -7.733 -12.001 5.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.807 -10.752 5.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -8.303 -10.402 5.934 1.00 0.00 H new ATOM 692 N MET A 46 -4.993 -7.387 -0.588 1.00 0.00 N ATOM 693 CA MET A 46 -4.814 -6.809 -1.914 1.00 0.00 C ATOM 694 C MET A 46 -3.825 -7.629 -2.736 1.00 0.00 C ATOM 695 O MET A 46 -3.311 -8.648 -2.273 1.00 0.00 O ATOM 696 CB MET A 46 -4.328 -5.363 -1.803 1.00 0.00 C ATOM 697 CG MET A 46 -5.240 -4.478 -0.970 1.00 0.00 C ATOM 698 SD MET A 46 -5.141 -2.740 -1.440 1.00 0.00 S ATOM 699 CE MET A 46 -3.435 -2.376 -1.034 1.00 0.00 C ATOM 0 H MET A 46 -4.155 -7.376 -0.007 1.00 0.00 H new ATOM 0 HA MET A 46 -5.779 -6.822 -2.421 1.00 0.00 H new ATOM 0 HB2 MET A 46 -3.330 -5.356 -1.365 1.00 0.00 H new ATOM 0 HB3 MET A 46 -4.240 -4.940 -2.804 1.00 0.00 H new ATOM 0 HG2 MET A 46 -6.269 -4.821 -1.077 1.00 0.00 H new ATOM 0 HG3 MET A 46 -4.977 -4.581 0.083 1.00 0.00 H new ATOM 0 HE1 MET A 46 -3.253 -1.308 -1.151 1.00 0.00 H new ATOM 0 HE2 MET A 46 -3.236 -2.667 -0.003 1.00 0.00 H new ATOM 0 HE3 MET A 46 -2.776 -2.931 -1.701 1.00 0.00 H new ATOM 709 N THR A 47 -3.561 -7.179 -3.959 1.00 0.00 N ATOM 710 CA THR A 47 -2.635 -7.871 -4.845 1.00 0.00 C ATOM 711 C THR A 47 -1.314 -7.117 -4.958 1.00 0.00 C ATOM 712 O THR A 47 -1.265 -5.901 -4.771 1.00 0.00 O ATOM 713 CB THR A 47 -3.232 -8.050 -6.254 1.00 0.00 C ATOM 714 OG1 THR A 47 -3.375 -6.776 -6.891 1.00 0.00 O ATOM 715 CG2 THR A 47 -4.585 -8.742 -6.184 1.00 0.00 C ATOM 0 H THR A 47 -3.976 -6.337 -4.358 1.00 0.00 H new ATOM 0 HA THR A 47 -2.454 -8.853 -4.407 1.00 0.00 H new ATOM 0 HB THR A 47 -2.552 -8.672 -6.836 1.00 0.00 H new ATOM 0 HG1 THR A 47 -4.318 -6.623 -7.109 1.00 0.00 H new ATOM 0 HG21 THR A 47 -4.987 -8.857 -7.191 1.00 0.00 H new ATOM 0 HG22 THR A 47 -4.468 -9.724 -5.725 1.00 0.00 H new ATOM 0 HG23 THR A 47 -5.270 -8.141 -5.586 1.00 0.00 H new ATOM 723 N ARG A 48 -0.246 -7.846 -5.265 1.00 0.00 N ATOM 724 CA ARG A 48 1.075 -7.245 -5.402 1.00 0.00 C ATOM 725 C ARG A 48 0.998 -5.933 -6.177 1.00 0.00 C ATOM 726 O ARG A 48 1.489 -4.901 -5.720 1.00 0.00 O ATOM 727 CB ARG A 48 2.027 -8.212 -6.108 1.00 0.00 C ATOM 728 CG ARG A 48 2.758 -9.148 -5.160 1.00 0.00 C ATOM 729 CD ARG A 48 1.789 -10.044 -4.404 1.00 0.00 C ATOM 730 NE ARG A 48 2.391 -11.327 -4.050 1.00 0.00 N ATOM 731 CZ ARG A 48 2.804 -12.217 -4.946 1.00 0.00 C ATOM 732 NH1 ARG A 48 2.680 -11.965 -6.242 1.00 0.00 N ATOM 733 NH2 ARG A 48 3.342 -13.362 -4.546 1.00 0.00 N ATOM 0 H ARG A 48 -0.270 -8.853 -5.423 1.00 0.00 H new ATOM 0 HA ARG A 48 1.456 -7.034 -4.403 1.00 0.00 H new ATOM 0 HB2 ARG A 48 1.462 -8.805 -6.827 1.00 0.00 H new ATOM 0 HB3 ARG A 48 2.760 -7.638 -6.675 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.460 -9.763 -5.723 1.00 0.00 H new ATOM 0 HG3 ARG A 48 3.344 -8.564 -4.451 1.00 0.00 H new ATOM 0 HD2 ARG A 48 1.458 -9.537 -3.498 1.00 0.00 H new ATOM 0 HD3 ARG A 48 0.903 -10.216 -5.015 1.00 0.00 H new ATOM 0 HE ARG A 48 2.500 -11.552 -3.061 1.00 0.00 H new ATOM 0 HH11 ARG A 48 2.267 -11.086 -6.553 1.00 0.00 H new ATOM 0 HH12 ARG A 48 2.998 -12.650 -6.927 1.00 0.00 H new ATOM 0 HH21 ARG A 48 3.439 -13.560 -3.550 1.00 0.00 H new ATOM 0 HH22 ARG A 48 3.659 -14.045 -5.234 1.00 0.00 H new ATOM 747 N ARG A 49 0.379 -5.982 -7.353 1.00 0.00 N ATOM 748 CA ARG A 49 0.240 -4.798 -8.192 1.00 0.00 C ATOM 749 C ARG A 49 -0.451 -3.670 -7.431 1.00 0.00 C ATOM 750 O ARG A 49 -0.035 -2.514 -7.504 1.00 0.00 O ATOM 751 CB ARG A 49 -0.553 -5.134 -9.457 1.00 0.00 C ATOM 752 CG ARG A 49 -1.837 -5.900 -9.185 1.00 0.00 C ATOM 753 CD ARG A 49 -2.667 -6.063 -10.449 1.00 0.00 C ATOM 754 NE ARG A 49 -4.056 -6.403 -10.152 1.00 0.00 N ATOM 755 CZ ARG A 49 -5.020 -6.418 -11.066 1.00 0.00 C ATOM 756 NH1 ARG A 49 -4.748 -6.114 -12.327 1.00 0.00 N ATOM 757 NH2 ARG A 49 -6.260 -6.738 -10.718 1.00 0.00 N ATOM 0 H ARG A 49 -0.034 -6.828 -7.745 1.00 0.00 H new ATOM 0 HA ARG A 49 1.239 -4.464 -8.474 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -0.796 -4.209 -9.980 1.00 0.00 H new ATOM 0 HB3 ARG A 49 0.076 -5.722 -10.125 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -1.597 -6.882 -8.777 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -2.422 -5.375 -8.430 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -2.635 -5.138 -11.025 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -2.229 -6.842 -11.073 1.00 0.00 H new ATOM 0 HE ARG A 49 -4.299 -6.642 -9.191 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -3.796 -5.868 -12.598 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -5.491 -6.127 -13.026 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -6.473 -6.973 -9.748 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -7.000 -6.749 -11.420 1.00 0.00 H new ATOM 771 N GLU A 50 -1.507 -4.015 -6.701 1.00 0.00 N ATOM 772 CA GLU A 50 -2.255 -3.031 -5.928 1.00 0.00 C ATOM 773 C GLU A 50 -1.378 -2.407 -4.847 1.00 0.00 C ATOM 774 O GLU A 50 -1.215 -1.188 -4.793 1.00 0.00 O ATOM 775 CB GLU A 50 -3.486 -3.679 -5.290 1.00 0.00 C ATOM 776 CG GLU A 50 -4.636 -3.888 -6.261 1.00 0.00 C ATOM 777 CD GLU A 50 -5.417 -2.615 -6.524 1.00 0.00 C ATOM 778 OE1 GLU A 50 -6.175 -2.188 -5.628 1.00 0.00 O ATOM 779 OE2 GLU A 50 -5.269 -2.046 -7.626 1.00 0.00 O ATOM 0 H GLU A 50 -1.863 -4.968 -6.629 1.00 0.00 H new ATOM 0 HA GLU A 50 -2.579 -2.243 -6.608 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.201 -4.641 -4.865 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.828 -3.055 -4.464 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -4.245 -4.271 -7.204 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -5.309 -4.647 -5.863 1.00 0.00 H new ATOM 786 N ILE A 51 -0.816 -3.252 -3.989 1.00 0.00 N ATOM 787 CA ILE A 51 0.045 -2.784 -2.910 1.00 0.00 C ATOM 788 C ILE A 51 1.206 -1.957 -3.453 1.00 0.00 C ATOM 789 O ILE A 51 1.429 -0.825 -3.024 1.00 0.00 O ATOM 790 CB ILE A 51 0.607 -3.959 -2.088 1.00 0.00 C ATOM 791 CG1 ILE A 51 -0.522 -4.670 -1.338 1.00 0.00 C ATOM 792 CG2 ILE A 51 1.668 -3.466 -1.116 1.00 0.00 C ATOM 793 CD1 ILE A 51 -0.086 -5.955 -0.669 1.00 0.00 C ATOM 0 H ILE A 51 -0.941 -4.264 -4.020 1.00 0.00 H new ATOM 0 HA ILE A 51 -0.571 -2.160 -2.262 1.00 0.00 H new ATOM 0 HB ILE A 51 1.071 -4.672 -2.770 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -0.927 -3.996 -0.583 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.330 -4.889 -2.036 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.055 -4.308 -0.542 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.482 -3.000 -1.671 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.228 -2.736 -0.437 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -0.936 -6.405 -0.157 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.292 -6.647 -1.422 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.701 -5.740 0.054 1.00 0.00 H new ATOM 805 N ASP A 52 1.942 -2.530 -4.399 1.00 0.00 N ATOM 806 CA ASP A 52 3.079 -1.845 -5.003 1.00 0.00 C ATOM 807 C ASP A 52 2.717 -0.408 -5.365 1.00 0.00 C ATOM 808 O ASP A 52 3.449 0.527 -5.041 1.00 0.00 O ATOM 809 CB ASP A 52 3.550 -2.595 -6.249 1.00 0.00 C ATOM 810 CG ASP A 52 4.951 -2.197 -6.670 1.00 0.00 C ATOM 811 OD1 ASP A 52 5.733 -1.766 -5.797 1.00 0.00 O ATOM 812 OD2 ASP A 52 5.266 -2.318 -7.872 1.00 0.00 O ATOM 0 H ASP A 52 1.772 -3.467 -4.764 1.00 0.00 H new ATOM 0 HA ASP A 52 3.889 -1.824 -4.274 1.00 0.00 H new ATOM 0 HB2 ASP A 52 3.523 -3.667 -6.056 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.859 -2.401 -7.069 1.00 0.00 H new ATOM 817 N SER A 53 1.585 -0.240 -6.041 1.00 0.00 N ATOM 818 CA SER A 53 1.129 1.082 -6.452 1.00 0.00 C ATOM 819 C SER A 53 1.018 2.017 -5.251 1.00 0.00 C ATOM 820 O SER A 53 1.412 3.181 -5.318 1.00 0.00 O ATOM 821 CB SER A 53 -0.224 0.981 -7.160 1.00 0.00 C ATOM 822 OG SER A 53 -0.399 2.046 -8.079 1.00 0.00 O ATOM 0 H SER A 53 0.967 -1.003 -6.316 1.00 0.00 H new ATOM 0 HA SER A 53 1.864 1.493 -7.144 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.293 0.028 -7.685 1.00 0.00 H new ATOM 0 HB3 SER A 53 -1.026 0.997 -6.422 1.00 0.00 H new ATOM 0 HG SER A 53 -1.270 1.958 -8.520 1.00 0.00 H new ATOM 828 N TRP A 54 0.479 1.498 -4.154 1.00 0.00 N ATOM 829 CA TRP A 54 0.316 2.285 -2.937 1.00 0.00 C ATOM 830 C TRP A 54 1.624 2.965 -2.549 1.00 0.00 C ATOM 831 O TRP A 54 1.731 4.192 -2.582 1.00 0.00 O ATOM 832 CB TRP A 54 -0.169 1.396 -1.791 1.00 0.00 C ATOM 833 CG TRP A 54 -0.410 2.147 -0.517 1.00 0.00 C ATOM 834 CD1 TRP A 54 -1.571 2.754 -0.130 1.00 0.00 C ATOM 835 CD2 TRP A 54 0.533 2.373 0.536 1.00 0.00 C ATOM 836 NE1 TRP A 54 -1.406 3.344 1.100 1.00 0.00 N ATOM 837 CE2 TRP A 54 -0.124 3.124 1.531 1.00 0.00 C ATOM 838 CE3 TRP A 54 1.868 2.013 0.737 1.00 0.00 C ATOM 839 CZ2 TRP A 54 0.510 3.520 2.705 1.00 0.00 C ATOM 840 CZ3 TRP A 54 2.497 2.407 1.903 1.00 0.00 C ATOM 841 CH2 TRP A 54 1.817 3.153 2.875 1.00 0.00 C ATOM 0 H TRP A 54 0.147 0.536 -4.082 1.00 0.00 H new ATOM 0 HA TRP A 54 -0.430 3.056 -3.131 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -1.092 0.899 -2.092 1.00 0.00 H new ATOM 0 HB3 TRP A 54 0.569 0.615 -1.610 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -2.484 2.768 -0.706 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -2.122 3.862 1.610 1.00 0.00 H new ATOM 0 HE3 TRP A 54 2.399 1.437 -0.006 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -0.011 4.096 3.455 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 3.529 2.136 2.068 1.00 0.00 H new ATOM 0 HH2 TRP A 54 2.335 3.444 3.777 1.00 0.00 H new ATOM 852 N PHE A 55 2.618 2.163 -2.182 1.00 0.00 N ATOM 853 CA PHE A 55 3.920 2.688 -1.787 1.00 0.00 C ATOM 854 C PHE A 55 4.400 3.749 -2.774 1.00 0.00 C ATOM 855 O PHE A 55 4.682 4.885 -2.392 1.00 0.00 O ATOM 856 CB PHE A 55 4.945 1.556 -1.699 1.00 0.00 C ATOM 857 CG PHE A 55 4.791 0.702 -0.473 1.00 0.00 C ATOM 858 CD1 PHE A 55 5.216 1.160 0.764 1.00 0.00 C ATOM 859 CD2 PHE A 55 4.223 -0.558 -0.558 1.00 0.00 C ATOM 860 CE1 PHE A 55 5.076 0.377 1.894 1.00 0.00 C ATOM 861 CE2 PHE A 55 4.079 -1.345 0.569 1.00 0.00 C ATOM 862 CZ PHE A 55 4.507 -0.878 1.796 1.00 0.00 C ATOM 0 H PHE A 55 2.547 1.146 -2.150 1.00 0.00 H new ATOM 0 HA PHE A 55 3.815 3.150 -0.805 1.00 0.00 H new ATOM 0 HB2 PHE A 55 4.856 0.926 -2.584 1.00 0.00 H new ATOM 0 HB3 PHE A 55 5.948 1.983 -1.711 1.00 0.00 H new ATOM 0 HD1 PHE A 55 5.662 2.140 0.846 1.00 0.00 H new ATOM 0 HD2 PHE A 55 3.889 -0.930 -1.515 1.00 0.00 H new ATOM 0 HE1 PHE A 55 5.411 0.746 2.852 1.00 0.00 H new ATOM 0 HE2 PHE A 55 3.632 -2.325 0.490 1.00 0.00 H new ATOM 0 HZ PHE A 55 4.397 -1.493 2.677 1.00 0.00 H new ATOM 872 N SER A 56 4.490 3.369 -4.045 1.00 0.00 N ATOM 873 CA SER A 56 4.940 4.285 -5.086 1.00 0.00 C ATOM 874 C SER A 56 4.164 5.597 -5.028 1.00 0.00 C ATOM 875 O SER A 56 4.666 6.645 -5.432 1.00 0.00 O ATOM 876 CB SER A 56 4.777 3.643 -6.465 1.00 0.00 C ATOM 877 OG SER A 56 5.308 4.475 -7.481 1.00 0.00 O ATOM 0 H SER A 56 4.257 2.433 -4.378 1.00 0.00 H new ATOM 0 HA SER A 56 5.995 4.500 -4.916 1.00 0.00 H new ATOM 0 HB2 SER A 56 5.281 2.677 -6.482 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.721 3.455 -6.660 1.00 0.00 H new ATOM 0 HG SER A 56 5.193 4.041 -8.352 1.00 0.00 H new ATOM 883 N GLU A 57 2.936 5.529 -4.522 1.00 0.00 N ATOM 884 CA GLU A 57 2.090 6.712 -4.412 1.00 0.00 C ATOM 885 C GLU A 57 2.171 7.310 -3.011 1.00 0.00 C ATOM 886 O GLU A 57 1.850 8.481 -2.805 1.00 0.00 O ATOM 887 CB GLU A 57 0.639 6.360 -4.745 1.00 0.00 C ATOM 888 CG GLU A 57 0.302 6.498 -6.221 1.00 0.00 C ATOM 889 CD GLU A 57 -1.156 6.840 -6.457 1.00 0.00 C ATOM 890 OE1 GLU A 57 -2.027 6.043 -6.051 1.00 0.00 O ATOM 891 OE2 GLU A 57 -1.426 7.906 -7.049 1.00 0.00 O ATOM 0 H GLU A 57 2.506 4.669 -4.182 1.00 0.00 H new ATOM 0 HA GLU A 57 2.450 7.453 -5.126 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.441 5.335 -4.430 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -0.024 7.005 -4.168 1.00 0.00 H new ATOM 0 HG2 GLU A 57 0.929 7.273 -6.662 1.00 0.00 H new ATOM 0 HG3 GLU A 57 0.540 5.566 -6.733 1.00 0.00 H new ATOM 898 N ARG A 58 2.601 6.498 -2.051 1.00 0.00 N ATOM 899 CA ARG A 58 2.723 6.945 -0.669 1.00 0.00 C ATOM 900 C ARG A 58 4.113 7.513 -0.401 1.00 0.00 C ATOM 901 O ARG A 58 4.264 8.699 -0.108 1.00 0.00 O ATOM 902 CB ARG A 58 2.439 5.788 0.291 1.00 0.00 C ATOM 903 CG ARG A 58 2.506 6.183 1.758 1.00 0.00 C ATOM 904 CD ARG A 58 1.235 6.891 2.202 1.00 0.00 C ATOM 905 NE ARG A 58 1.209 7.112 3.645 1.00 0.00 N ATOM 906 CZ ARG A 58 1.967 8.010 4.265 1.00 0.00 C ATOM 907 NH1 ARG A 58 2.807 8.765 3.572 1.00 0.00 N ATOM 908 NH2 ARG A 58 1.886 8.152 5.582 1.00 0.00 N ATOM 0 H ARG A 58 2.871 5.527 -2.205 1.00 0.00 H new ATOM 0 HA ARG A 58 1.989 7.734 -0.503 1.00 0.00 H new ATOM 0 HB2 ARG A 58 1.449 5.384 0.077 1.00 0.00 H new ATOM 0 HB3 ARG A 58 3.156 4.989 0.106 1.00 0.00 H new ATOM 0 HG2 ARG A 58 2.661 5.294 2.369 1.00 0.00 H new ATOM 0 HG3 ARG A 58 3.364 6.836 1.922 1.00 0.00 H new ATOM 0 HD2 ARG A 58 1.154 7.848 1.687 1.00 0.00 H new ATOM 0 HD3 ARG A 58 0.368 6.298 1.910 1.00 0.00 H new ATOM 0 HE ARG A 58 0.574 6.546 4.208 1.00 0.00 H new ATOM 0 HH11 ARG A 58 2.873 8.658 2.560 1.00 0.00 H new ATOM 0 HH12 ARG A 58 3.388 9.454 4.051 1.00 0.00 H new ATOM 0 HH21 ARG A 58 1.242 7.572 6.119 1.00 0.00 H new ATOM 0 HH22 ARG A 58 2.468 8.842 6.057 1.00 0.00 H new ATOM 922 N ARG A 59 5.126 6.658 -0.504 1.00 0.00 N ATOM 923 CA ARG A 59 6.504 7.075 -0.272 1.00 0.00 C ATOM 924 C ARG A 59 6.813 8.371 -1.015 1.00 0.00 C ATOM 925 O ARG A 59 7.654 9.161 -0.585 1.00 0.00 O ATOM 926 CB ARG A 59 7.472 5.977 -0.716 1.00 0.00 C ATOM 927 CG ARG A 59 7.621 5.870 -2.225 1.00 0.00 C ATOM 928 CD ARG A 59 8.973 5.291 -2.612 1.00 0.00 C ATOM 929 NE ARG A 59 10.022 6.308 -2.617 1.00 0.00 N ATOM 930 CZ ARG A 59 11.270 6.073 -3.007 1.00 0.00 C ATOM 931 NH1 ARG A 59 11.623 4.864 -3.420 1.00 0.00 N ATOM 932 NH2 ARG A 59 12.168 7.050 -2.983 1.00 0.00 N ATOM 0 H ARG A 59 5.018 5.673 -0.746 1.00 0.00 H new ATOM 0 HA ARG A 59 6.629 7.251 0.796 1.00 0.00 H new ATOM 0 HB2 ARG A 59 8.451 6.167 -0.275 1.00 0.00 H new ATOM 0 HB3 ARG A 59 7.127 5.020 -0.325 1.00 0.00 H new ATOM 0 HG2 ARG A 59 6.826 5.241 -2.626 1.00 0.00 H new ATOM 0 HG3 ARG A 59 7.504 6.856 -2.674 1.00 0.00 H new ATOM 0 HD2 ARG A 59 9.241 4.497 -1.915 1.00 0.00 H new ATOM 0 HD3 ARG A 59 8.904 4.837 -3.600 1.00 0.00 H new ATOM 0 HE ARG A 59 9.783 7.249 -2.304 1.00 0.00 H new ATOM 0 HH11 ARG A 59 10.936 4.111 -3.439 1.00 0.00 H new ATOM 0 HH12 ARG A 59 12.582 4.687 -3.719 1.00 0.00 H new ATOM 0 HH21 ARG A 59 11.900 7.981 -2.665 1.00 0.00 H new ATOM 0 HH22 ARG A 59 13.126 6.869 -3.282 1.00 0.00 H new ATOM 946 N LYS A 60 6.127 8.585 -2.132 1.00 0.00 N ATOM 947 CA LYS A 60 6.326 9.785 -2.936 1.00 0.00 C ATOM 948 C LYS A 60 5.617 10.982 -2.311 1.00 0.00 C ATOM 949 O LYS A 60 6.098 12.112 -2.388 1.00 0.00 O ATOM 950 CB LYS A 60 5.812 9.561 -4.360 1.00 0.00 C ATOM 951 CG LYS A 60 4.304 9.409 -4.446 1.00 0.00 C ATOM 952 CD LYS A 60 3.620 10.748 -4.666 1.00 0.00 C ATOM 953 CE LYS A 60 3.505 11.079 -6.146 1.00 0.00 C ATOM 954 NZ LYS A 60 2.508 12.156 -6.398 1.00 0.00 N ATOM 0 H LYS A 60 5.427 7.942 -2.502 1.00 0.00 H new ATOM 0 HA LYS A 60 7.395 9.995 -2.971 1.00 0.00 H new ATOM 0 HB2 LYS A 60 6.120 10.400 -4.984 1.00 0.00 H new ATOM 0 HB3 LYS A 60 6.283 8.668 -4.771 1.00 0.00 H new ATOM 0 HG2 LYS A 60 4.052 8.732 -5.262 1.00 0.00 H new ATOM 0 HG3 LYS A 60 3.930 8.955 -3.528 1.00 0.00 H new ATOM 0 HD2 LYS A 60 2.626 10.728 -4.218 1.00 0.00 H new ATOM 0 HD3 LYS A 60 4.182 11.532 -4.159 1.00 0.00 H new ATOM 0 HE2 LYS A 60 4.479 11.389 -6.525 1.00 0.00 H new ATOM 0 HE3 LYS A 60 3.219 10.183 -6.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 2.459 12.352 -7.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 1.573 11.850 -6.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 2.794 13.019 -5.893 1.00 0.00 H new ATOM 968 N LYS A 61 4.470 10.726 -1.689 1.00 0.00 N ATOM 969 CA LYS A 61 3.695 11.782 -1.048 1.00 0.00 C ATOM 970 C LYS A 61 4.491 12.432 0.080 1.00 0.00 C ATOM 971 O LYS A 61 4.319 13.615 0.372 1.00 0.00 O ATOM 972 CB LYS A 61 2.382 11.218 -0.500 1.00 0.00 C ATOM 973 CG LYS A 61 1.286 12.259 -0.356 1.00 0.00 C ATOM 974 CD LYS A 61 -0.057 11.617 -0.053 1.00 0.00 C ATOM 975 CE LYS A 61 -1.188 12.631 -0.123 1.00 0.00 C ATOM 976 NZ LYS A 61 -2.501 12.023 0.230 1.00 0.00 N ATOM 0 H LYS A 61 4.057 9.796 -1.616 1.00 0.00 H new ATOM 0 HA LYS A 61 3.473 12.542 -1.797 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.033 10.425 -1.161 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.570 10.763 0.473 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.546 12.954 0.442 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.213 12.841 -1.275 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.245 10.811 -0.763 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -0.031 11.167 0.940 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -0.977 13.458 0.555 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -1.240 13.048 -1.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -3.246 12.746 0.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -2.715 11.250 -0.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -2.460 11.647 1.199 1.00 0.00 H new ATOM 990 N VAL A 62 5.363 11.651 0.709 1.00 0.00 N ATOM 991 CA VAL A 62 6.187 12.152 1.803 1.00 0.00 C ATOM 992 C VAL A 62 7.322 13.024 1.281 1.00 0.00 C ATOM 993 O VAL A 62 7.691 14.020 1.903 1.00 0.00 O ATOM 994 CB VAL A 62 6.781 10.997 2.632 1.00 0.00 C ATOM 995 CG1 VAL A 62 7.664 11.539 3.746 1.00 0.00 C ATOM 996 CG2 VAL A 62 5.672 10.122 3.197 1.00 0.00 C ATOM 0 H VAL A 62 5.517 10.669 0.480 1.00 0.00 H new ATOM 0 HA VAL A 62 5.537 12.751 2.441 1.00 0.00 H new ATOM 0 HB VAL A 62 7.399 10.383 1.977 1.00 0.00 H new ATOM 0 HG11 VAL A 62 8.075 10.709 4.321 1.00 0.00 H new ATOM 0 HG12 VAL A 62 8.479 12.120 3.314 1.00 0.00 H new ATOM 0 HG13 VAL A 62 7.072 12.177 4.402 1.00 0.00 H new ATOM 0 HG21 VAL A 62 6.109 9.311 3.780 1.00 0.00 H new ATOM 0 HG22 VAL A 62 5.026 10.722 3.838 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.085 9.705 2.379 1.00 0.00 H new ATOM 1006 N ASN A 63 7.874 12.644 0.133 1.00 0.00 N ATOM 1007 CA ASN A 63 8.968 13.393 -0.474 1.00 0.00 C ATOM 1008 C ASN A 63 8.491 14.759 -0.957 1.00 0.00 C ATOM 1009 O ASN A 63 9.197 15.758 -0.821 1.00 0.00 O ATOM 1010 CB ASN A 63 9.564 12.606 -1.644 1.00 0.00 C ATOM 1011 CG ASN A 63 10.261 13.504 -2.649 1.00 0.00 C ATOM 1012 OD1 ASN A 63 9.618 14.106 -3.509 1.00 0.00 O ATOM 1013 ND2 ASN A 63 11.581 13.595 -2.544 1.00 0.00 N ATOM 0 H ASN A 63 7.582 11.822 -0.395 1.00 0.00 H new ATOM 0 HA ASN A 63 9.736 13.544 0.284 1.00 0.00 H new ATOM 0 HB2 ASN A 63 10.275 11.873 -1.261 1.00 0.00 H new ATOM 0 HB3 ASN A 63 8.772 12.050 -2.146 1.00 0.00 H new ATOM 0 HD21 ASN A 63 12.105 14.183 -3.193 1.00 0.00 H new ATOM 0 HD22 ASN A 63 12.071 13.077 -1.815 1.00 0.00 H new ATOM 1020 N ALA A 64 7.288 14.795 -1.520 1.00 0.00 N ATOM 1021 CA ALA A 64 6.715 16.039 -2.020 1.00 0.00 C ATOM 1022 C ALA A 64 5.966 16.780 -0.918 1.00 0.00 C ATOM 1023 O ALA A 64 4.967 17.450 -1.178 1.00 0.00 O ATOM 1024 CB ALA A 64 5.790 15.758 -3.195 1.00 0.00 C ATOM 0 H ALA A 64 6.691 13.977 -1.641 1.00 0.00 H new ATOM 0 HA ALA A 64 7.531 16.677 -2.359 1.00 0.00 H new ATOM 0 HB1 ALA A 64 5.369 16.695 -3.559 1.00 0.00 H new ATOM 0 HB2 ALA A 64 6.354 15.279 -3.995 1.00 0.00 H new ATOM 0 HB3 ALA A 64 4.984 15.098 -2.874 1.00 0.00 H new ATOM 1030 N GLU A 65 6.454 16.653 0.312 1.00 0.00 N ATOM 1031 CA GLU A 65 5.828 17.311 1.453 1.00 0.00 C ATOM 1032 C GLU A 65 6.718 18.426 1.994 1.00 0.00 C ATOM 1033 O GLU A 65 7.872 18.194 2.351 1.00 0.00 O ATOM 1034 CB GLU A 65 5.536 16.294 2.559 1.00 0.00 C ATOM 1035 CG GLU A 65 4.918 16.909 3.803 1.00 0.00 C ATOM 1036 CD GLU A 65 4.013 15.944 4.543 1.00 0.00 C ATOM 1037 OE1 GLU A 65 3.055 15.435 3.924 1.00 0.00 O ATOM 1038 OE2 GLU A 65 4.263 15.696 5.741 1.00 0.00 O ATOM 0 H GLU A 65 7.280 16.101 0.544 1.00 0.00 H new ATOM 0 HA GLU A 65 4.889 17.751 1.116 1.00 0.00 H new ATOM 0 HB2 GLU A 65 4.864 15.529 2.170 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.464 15.793 2.834 1.00 0.00 H new ATOM 0 HG2 GLU A 65 5.712 17.242 4.472 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.347 17.793 3.521 1.00 0.00 H new ATOM 1045 N GLU A 66 6.171 19.636 2.051 1.00 0.00 N ATOM 1046 CA GLU A 66 6.916 20.788 2.547 1.00 0.00 C ATOM 1047 C GLU A 66 8.154 21.044 1.692 1.00 0.00 C ATOM 1048 O GLU A 66 9.244 21.285 2.213 1.00 0.00 O ATOM 1049 CB GLU A 66 7.326 20.569 4.004 1.00 0.00 C ATOM 1050 CG GLU A 66 7.589 21.859 4.763 1.00 0.00 C ATOM 1051 CD GLU A 66 9.033 22.310 4.663 1.00 0.00 C ATOM 1052 OE1 GLU A 66 9.909 21.623 5.229 1.00 0.00 O ATOM 1053 OE2 GLU A 66 9.288 23.349 4.020 1.00 0.00 O ATOM 0 H GLU A 66 5.216 19.844 1.760 1.00 0.00 H new ATOM 0 HA GLU A 66 6.267 21.662 2.487 1.00 0.00 H new ATOM 0 HB2 GLU A 66 6.540 20.011 4.514 1.00 0.00 H new ATOM 0 HB3 GLU A 66 8.224 19.952 4.031 1.00 0.00 H new ATOM 0 HG2 GLU A 66 6.939 22.644 4.375 1.00 0.00 H new ATOM 0 HG3 GLU A 66 7.328 21.719 5.812 1.00 0.00 H new ATOM 1060 N THR A 67 7.979 20.989 0.375 1.00 0.00 N ATOM 1061 CA THR A 67 9.080 21.213 -0.552 1.00 0.00 C ATOM 1062 C THR A 67 9.108 22.659 -1.035 1.00 0.00 C ATOM 1063 O THR A 67 10.149 23.316 -1.004 1.00 0.00 O ATOM 1064 CB THR A 67 8.986 20.278 -1.773 1.00 0.00 C ATOM 1065 OG1 THR A 67 8.956 18.913 -1.343 1.00 0.00 O ATOM 1066 CG2 THR A 67 10.163 20.494 -2.712 1.00 0.00 C ATOM 0 H THR A 67 7.084 20.791 -0.073 1.00 0.00 H new ATOM 0 HA THR A 67 9.999 20.997 -0.008 1.00 0.00 H new ATOM 0 HB THR A 67 8.066 20.509 -2.310 1.00 0.00 H new ATOM 0 HG1 THR A 67 9.469 18.361 -1.970 1.00 0.00 H new ATOM 0 HG21 THR A 67 10.075 19.823 -3.566 1.00 0.00 H new ATOM 0 HG22 THR A 67 10.166 21.527 -3.061 1.00 0.00 H new ATOM 0 HG23 THR A 67 11.093 20.287 -2.183 1.00 0.00 H new ATOM 1074 N LYS A 68 7.957 23.151 -1.481 1.00 0.00 N ATOM 1075 CA LYS A 68 7.847 24.520 -1.969 1.00 0.00 C ATOM 1076 C LYS A 68 7.106 25.398 -0.964 1.00 0.00 C ATOM 1077 O LYS A 68 7.648 26.387 -0.470 1.00 0.00 O ATOM 1078 CB LYS A 68 7.123 24.547 -3.317 1.00 0.00 C ATOM 1079 CG LYS A 68 8.032 24.265 -4.501 1.00 0.00 C ATOM 1080 CD LYS A 68 8.979 25.424 -4.765 1.00 0.00 C ATOM 1081 CE LYS A 68 8.366 26.439 -5.716 1.00 0.00 C ATOM 1082 NZ LYS A 68 7.504 27.420 -5.001 1.00 0.00 N ATOM 0 H LYS A 68 7.086 22.621 -1.514 1.00 0.00 H new ATOM 0 HA LYS A 68 8.855 24.915 -2.097 1.00 0.00 H new ATOM 0 HB2 LYS A 68 6.319 23.811 -3.303 1.00 0.00 H new ATOM 0 HB3 LYS A 68 6.658 25.524 -3.451 1.00 0.00 H new ATOM 0 HG2 LYS A 68 8.608 23.359 -4.311 1.00 0.00 H new ATOM 0 HG3 LYS A 68 7.428 24.078 -5.389 1.00 0.00 H new ATOM 0 HD2 LYS A 68 9.230 25.912 -3.823 1.00 0.00 H new ATOM 0 HD3 LYS A 68 9.910 25.045 -5.186 1.00 0.00 H new ATOM 0 HE2 LYS A 68 9.160 26.969 -6.242 1.00 0.00 H new ATOM 0 HE3 LYS A 68 7.776 25.919 -6.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 7.532 28.333 -5.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 6.525 27.069 -4.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 7.852 27.544 -4.029 1.00 0.00 H new ATOM 1096 N LYS A 69 5.865 25.029 -0.666 1.00 0.00 N ATOM 1097 CA LYS A 69 5.051 25.780 0.282 1.00 0.00 C ATOM 1098 C LYS A 69 5.070 25.122 1.658 1.00 0.00 C ATOM 1099 O LYS A 69 5.463 23.964 1.797 1.00 0.00 O ATOM 1100 CB LYS A 69 3.610 25.886 -0.224 1.00 0.00 C ATOM 1101 CG LYS A 69 2.864 24.562 -0.216 1.00 0.00 C ATOM 1102 CD LYS A 69 1.651 24.601 -1.130 1.00 0.00 C ATOM 1103 CE LYS A 69 1.099 23.206 -1.382 1.00 0.00 C ATOM 1104 NZ LYS A 69 1.897 22.469 -2.400 1.00 0.00 N ATOM 0 H LYS A 69 5.401 24.214 -1.067 1.00 0.00 H new ATOM 0 HA LYS A 69 5.474 26.781 0.372 1.00 0.00 H new ATOM 0 HB2 LYS A 69 3.069 26.602 0.394 1.00 0.00 H new ATOM 0 HB3 LYS A 69 3.618 26.283 -1.239 1.00 0.00 H new ATOM 0 HG2 LYS A 69 3.535 23.763 -0.533 1.00 0.00 H new ATOM 0 HG3 LYS A 69 2.548 24.327 0.800 1.00 0.00 H new ATOM 0 HD2 LYS A 69 0.877 25.225 -0.683 1.00 0.00 H new ATOM 0 HD3 LYS A 69 1.924 25.063 -2.079 1.00 0.00 H new ATOM 0 HE2 LYS A 69 1.093 22.644 -0.448 1.00 0.00 H new ATOM 0 HE3 LYS A 69 0.064 23.280 -1.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 1.489 21.523 -2.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 1.882 22.992 -3.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 2.879 22.376 -2.070 1.00 0.00 H new ATOM 1118 N SER A 70 4.643 25.868 2.672 1.00 0.00 N ATOM 1119 CA SER A 70 4.614 25.358 4.037 1.00 0.00 C ATOM 1120 C SER A 70 3.190 25.006 4.456 1.00 0.00 C ATOM 1121 O SER A 70 2.223 25.569 3.943 1.00 0.00 O ATOM 1122 CB SER A 70 5.201 26.390 5.002 1.00 0.00 C ATOM 1123 OG SER A 70 5.614 25.779 6.213 1.00 0.00 O ATOM 0 H SER A 70 4.312 26.828 2.573 1.00 0.00 H new ATOM 0 HA SER A 70 5.219 24.452 4.073 1.00 0.00 H new ATOM 0 HB2 SER A 70 6.050 26.888 4.534 1.00 0.00 H new ATOM 0 HB3 SER A 70 4.458 27.159 5.214 1.00 0.00 H new ATOM 0 HG SER A 70 5.987 26.459 6.812 1.00 0.00 H new ATOM 1129 N GLY A 71 3.069 24.069 5.391 1.00 0.00 N ATOM 1130 CA GLY A 71 1.760 23.657 5.864 1.00 0.00 C ATOM 1131 C GLY A 71 1.792 23.150 7.292 1.00 0.00 C ATOM 1132 O GLY A 71 1.460 23.868 8.235 1.00 0.00 O ATOM 0 H GLY A 71 3.854 23.588 5.830 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.071 24.499 5.796 1.00 0.00 H new ATOM 0 HA3 GLY A 71 1.372 22.874 5.213 1.00 0.00 H new ATOM 1136 N PRO A 72 2.198 21.883 7.466 1.00 0.00 N ATOM 1137 CA PRO A 72 2.281 21.253 8.786 1.00 0.00 C ATOM 1138 C PRO A 72 3.405 21.834 9.637 1.00 0.00 C ATOM 1139 O PRO A 72 4.186 22.662 9.169 1.00 0.00 O ATOM 1140 CB PRO A 72 2.561 19.783 8.461 1.00 0.00 C ATOM 1141 CG PRO A 72 3.219 19.810 7.124 1.00 0.00 C ATOM 1142 CD PRO A 72 2.609 20.970 6.386 1.00 0.00 C ATOM 0 HA PRO A 72 1.374 21.409 9.369 1.00 0.00 H new ATOM 0 HB2 PRO A 72 3.207 19.328 9.211 1.00 0.00 H new ATOM 0 HB3 PRO A 72 1.640 19.200 8.438 1.00 0.00 H new ATOM 0 HG2 PRO A 72 4.298 19.934 7.222 1.00 0.00 H new ATOM 0 HG3 PRO A 72 3.053 18.875 6.588 1.00 0.00 H new ATOM 0 HD2 PRO A 72 3.326 21.440 5.713 1.00 0.00 H new ATOM 0 HD3 PRO A 72 1.760 20.658 5.779 1.00 0.00 H new ATOM 1150 N SER A 73 3.482 21.393 10.889 1.00 0.00 N ATOM 1151 CA SER A 73 4.509 21.873 11.806 1.00 0.00 C ATOM 1152 C SER A 73 5.495 20.759 12.148 1.00 0.00 C ATOM 1153 O SER A 73 5.145 19.792 12.824 1.00 0.00 O ATOM 1154 CB SER A 73 3.869 22.413 13.086 1.00 0.00 C ATOM 1155 OG SER A 73 3.192 21.386 13.790 1.00 0.00 O ATOM 0 H SER A 73 2.846 20.705 11.291 1.00 0.00 H new ATOM 0 HA SER A 73 5.053 22.679 11.313 1.00 0.00 H new ATOM 0 HB2 SER A 73 4.637 22.850 13.724 1.00 0.00 H new ATOM 0 HB3 SER A 73 3.169 23.211 12.838 1.00 0.00 H new ATOM 0 HG SER A 73 3.576 20.517 13.550 1.00 0.00 H new ATOM 1161 N SER A 74 6.728 20.903 11.675 1.00 0.00 N ATOM 1162 CA SER A 74 7.765 19.908 11.926 1.00 0.00 C ATOM 1163 C SER A 74 8.967 20.540 12.621 1.00 0.00 C ATOM 1164 O SER A 74 9.579 21.472 12.102 1.00 0.00 O ATOM 1165 CB SER A 74 8.204 19.256 10.614 1.00 0.00 C ATOM 1166 OG SER A 74 7.107 18.651 9.952 1.00 0.00 O ATOM 0 H SER A 74 7.034 21.699 11.116 1.00 0.00 H new ATOM 0 HA SER A 74 7.349 19.143 12.582 1.00 0.00 H new ATOM 0 HB2 SER A 74 8.655 20.006 9.965 1.00 0.00 H new ATOM 0 HB3 SER A 74 8.969 18.507 10.815 1.00 0.00 H new ATOM 0 HG SER A 74 7.414 18.243 9.116 1.00 0.00 H new ATOM 1172 N GLY A 75 9.298 20.025 13.801 1.00 0.00 N ATOM 1173 CA GLY A 75 10.425 20.550 14.550 1.00 0.00 C ATOM 1174 C GLY A 75 11.749 20.309 13.851 1.00 0.00 C ATOM 1175 O GLY A 75 11.783 20.024 12.654 1.00 0.00 O ATOM 0 H GLY A 75 8.806 19.254 14.252 1.00 0.00 H new ATOM 0 HA2 GLY A 75 10.288 21.620 14.703 1.00 0.00 H new ATOM 0 HA3 GLY A 75 10.449 20.087 15.537 1.00 0.00 H new TER 1179 GLY A 75