USER MOD reduce.3.24.130724 H: found=0, std=0, add=495, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 495 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 NoAdj-H: A 28 HIS HD1 : A 28 HIS ND1 : A 67 ZNZN :(H bumps) USER MOD Single : A 1 MET CE :methyl -129:sc= -1.46 (180deg=-1.74!) USER MOD Single : A 1 MET N :NH3+ -145:sc= -0.27 (180deg=-1.62!) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=-0.091) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= -2.34! USER MOD Single : A 12 THR OG1 : rot -140:sc= 1.31 USER MOD Single : A 13 LYS NZ :NH3+ -107:sc= -2.12! (180deg=-4.05!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.368 K(o=-0.37,f=-2.3!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 MET CE :methyl -166:sc= -12.7! (180deg=-13.4!) USER MOD Single : A 24 ASN : amide:sc= -8.94! C(o=-8.9!,f=-12!) USER MOD Single : A 29 THR OG1 : rot 43:sc= 0.814 USER MOD Single : A 33 SER OG : rot -0:sc= -2.94! USER MOD Single : A 45 ASN : amide:sc= -9.92! C(o=-9.9!,f=-12!) USER MOD Single : A 51 THR OG1 : rot -170:sc= -2.97! USER MOD Single : A 55 LYS NZ :NH3+ -143:sc= -0.125 (180deg=-0.986) USER MOD Single : A 56 SER OG : rot 47:sc= -0.241! USER MOD Single : A 57 ASN : amide:sc= -16.2! C(o=-16!,f=-17!) USER MOD Single : A 61 GLN : amide:sc= -1.24 K(o=-1.2,f=-2.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.750 -6.662 -9.826 1.00 0.00 N ATOM 2 CA MET A 1 -8.281 -5.322 -9.366 1.00 0.00 C ATOM 3 C MET A 1 -8.513 -5.171 -7.858 1.00 0.00 C ATOM 4 O MET A 1 -7.639 -5.434 -7.056 1.00 0.00 O ATOM 5 CB MET A 1 -9.129 -4.318 -10.149 1.00 0.00 C ATOM 6 CG MET A 1 -8.858 -4.475 -11.647 1.00 0.00 C ATOM 7 SD MET A 1 -10.080 -3.524 -12.583 1.00 0.00 S ATOM 8 CE MET A 1 -8.951 -2.257 -13.211 1.00 0.00 C ATOM 0 H1 MET A 1 -8.126 -7.007 -10.584 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.728 -7.330 -9.029 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.722 -6.585 -10.186 1.00 0.00 H new ATOM 0 HA MET A 1 -7.215 -5.172 -9.537 1.00 0.00 H new ATOM 0 HB2 MET A 1 -10.187 -4.480 -9.942 1.00 0.00 H new ATOM 0 HB3 MET A 1 -8.894 -3.302 -9.831 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.852 -4.128 -11.884 1.00 0.00 H new ATOM 0 HG3 MET A 1 -8.907 -5.527 -11.928 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.360 -1.269 -13.001 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.982 -2.359 -12.723 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.830 -2.379 -14.287 1.00 0.00 H new ATOM 20 N ASP A 2 -9.689 -4.759 -7.466 1.00 0.00 N ATOM 21 CA ASP A 2 -9.985 -4.600 -6.012 1.00 0.00 C ATOM 22 C ASP A 2 -10.144 -5.979 -5.357 1.00 0.00 C ATOM 23 O ASP A 2 -10.377 -6.089 -4.170 1.00 0.00 O ATOM 24 CB ASP A 2 -11.308 -3.834 -5.968 1.00 0.00 C ATOM 25 CG ASP A 2 -12.368 -4.601 -6.764 1.00 0.00 C ATOM 26 OD1 ASP A 2 -12.196 -4.736 -7.964 1.00 0.00 O ATOM 27 OD2 ASP A 2 -13.333 -5.038 -6.159 1.00 0.00 O ATOM 0 H ASP A 2 -10.460 -4.525 -8.092 1.00 0.00 H new ATOM 0 HA ASP A 2 -9.190 -4.080 -5.477 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -11.634 -3.708 -4.935 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -11.177 -2.835 -6.385 1.00 0.00 H new ATOM 32 N ASP A 3 -10.034 -7.031 -6.134 1.00 0.00 N ATOM 33 CA ASP A 3 -10.188 -8.412 -5.580 1.00 0.00 C ATOM 34 C ASP A 3 -9.581 -8.513 -4.176 1.00 0.00 C ATOM 35 O ASP A 3 -10.236 -8.228 -3.192 1.00 0.00 O ATOM 36 CB ASP A 3 -9.437 -9.316 -6.558 1.00 0.00 C ATOM 37 CG ASP A 3 -9.468 -10.758 -6.048 1.00 0.00 C ATOM 38 OD1 ASP A 3 -10.330 -11.060 -5.238 1.00 0.00 O ATOM 39 OD2 ASP A 3 -8.632 -11.536 -6.477 1.00 0.00 O ATOM 0 H ASP A 3 -9.843 -6.990 -7.135 1.00 0.00 H new ATOM 0 HA ASP A 3 -11.236 -8.694 -5.480 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -9.893 -9.259 -7.546 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -8.406 -8.978 -6.663 1.00 0.00 H new ATOM 44 N GLN A 4 -8.338 -8.918 -4.073 1.00 0.00 N ATOM 45 CA GLN A 4 -7.701 -9.035 -2.726 1.00 0.00 C ATOM 46 C GLN A 4 -8.114 -7.848 -1.856 1.00 0.00 C ATOM 47 O GLN A 4 -8.205 -7.947 -0.649 1.00 0.00 O ATOM 48 CB GLN A 4 -6.197 -9.010 -2.996 1.00 0.00 C ATOM 49 CG GLN A 4 -5.473 -9.835 -1.929 1.00 0.00 C ATOM 50 CD GLN A 4 -4.215 -9.094 -1.476 1.00 0.00 C ATOM 51 OE1 GLN A 4 -4.296 -8.006 -0.942 1.00 0.00 O ATOM 52 NE2 GLN A 4 -3.045 -9.640 -1.668 1.00 0.00 N ATOM 0 H GLN A 4 -7.741 -9.171 -4.860 1.00 0.00 H new ATOM 0 HA GLN A 4 -8.000 -9.940 -2.197 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -5.988 -9.413 -3.987 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -5.832 -7.983 -2.986 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -6.132 -10.007 -1.078 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -5.207 -10.813 -2.329 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -2.976 -10.554 -2.116 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -2.200 -9.153 -1.370 1.00 0.00 H new ATOM 61 N GLY A 5 -8.380 -6.731 -2.472 1.00 0.00 N ATOM 62 CA GLY A 5 -8.809 -5.530 -1.705 1.00 0.00 C ATOM 63 C GLY A 5 -7.736 -5.129 -0.692 1.00 0.00 C ATOM 64 O GLY A 5 -7.214 -5.948 0.038 1.00 0.00 O ATOM 0 H GLY A 5 -8.318 -6.598 -3.481 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -8.998 -4.703 -2.389 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -9.746 -5.737 -1.188 1.00 0.00 H new ATOM 68 N CYS A 6 -7.416 -3.864 -0.652 1.00 0.00 N ATOM 69 CA CYS A 6 -6.393 -3.347 0.297 1.00 0.00 C ATOM 70 C CYS A 6 -6.349 -4.157 1.607 1.00 0.00 C ATOM 71 O CYS A 6 -7.364 -4.372 2.240 1.00 0.00 O ATOM 72 CB CYS A 6 -6.865 -1.916 0.574 1.00 0.00 C ATOM 73 SG CYS A 6 -6.216 -1.355 2.159 1.00 0.00 S ATOM 0 H CYS A 6 -7.832 -3.152 -1.252 1.00 0.00 H new ATOM 0 HA CYS A 6 -5.385 -3.410 -0.113 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -6.529 -1.252 -0.222 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -7.954 -1.878 0.583 1.00 0.00 H new ATOM 78 N PRO A 7 -5.156 -4.538 1.986 1.00 0.00 N ATOM 79 CA PRO A 7 -4.944 -5.279 3.246 1.00 0.00 C ATOM 80 C PRO A 7 -4.676 -4.311 4.420 1.00 0.00 C ATOM 81 O PRO A 7 -5.071 -4.563 5.540 1.00 0.00 O ATOM 82 CB PRO A 7 -3.697 -6.102 2.952 1.00 0.00 C ATOM 83 CG PRO A 7 -2.956 -5.353 1.879 1.00 0.00 C ATOM 84 CD PRO A 7 -3.898 -4.338 1.269 1.00 0.00 C ATOM 0 HA PRO A 7 -5.808 -5.877 3.537 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -3.083 -6.215 3.846 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -3.960 -7.105 2.618 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -2.082 -4.855 2.298 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -2.595 -6.042 1.116 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -3.525 -3.322 1.396 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -4.020 -4.501 0.198 1.00 0.00 H new ATOM 92 N ARG A 8 -3.987 -3.219 4.175 1.00 0.00 N ATOM 93 CA ARG A 8 -3.674 -2.256 5.286 1.00 0.00 C ATOM 94 C ARG A 8 -4.862 -1.323 5.572 1.00 0.00 C ATOM 95 O ARG A 8 -5.467 -1.379 6.625 1.00 0.00 O ATOM 96 CB ARG A 8 -2.458 -1.453 4.787 1.00 0.00 C ATOM 97 CG ARG A 8 -1.572 -1.064 5.972 1.00 0.00 C ATOM 98 CD ARG A 8 -0.207 -1.740 5.831 1.00 0.00 C ATOM 99 NE ARG A 8 -0.211 -2.833 6.843 1.00 0.00 N ATOM 100 CZ ARG A 8 0.377 -2.658 7.995 1.00 0.00 C ATOM 101 NH1 ARG A 8 0.047 -1.647 8.751 1.00 0.00 N ATOM 102 NH2 ARG A 8 1.298 -3.496 8.390 1.00 0.00 N ATOM 0 H ARG A 8 -3.629 -2.953 3.258 1.00 0.00 H new ATOM 0 HA ARG A 8 -3.470 -2.776 6.222 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -1.887 -2.047 4.073 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -2.792 -0.558 4.262 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -1.451 0.019 6.010 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -2.044 -1.365 6.907 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -0.064 -2.134 4.825 1.00 0.00 H new ATOM 0 HD3 ARG A 8 0.603 -1.035 6.015 1.00 0.00 H new ATOM 0 HE ARG A 8 -0.673 -3.718 6.636 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -0.671 -0.992 8.442 1.00 0.00 H new ATOM 0 HH12 ARG A 8 0.507 -1.512 9.651 1.00 0.00 H new ATOM 0 HH21 ARG A 8 1.557 -4.286 7.798 1.00 0.00 H new ATOM 0 HH22 ARG A 8 1.759 -3.361 9.290 1.00 0.00 H new ATOM 116 N CYS A 9 -5.191 -0.464 4.650 1.00 0.00 N ATOM 117 CA CYS A 9 -6.343 0.485 4.875 1.00 0.00 C ATOM 118 C CYS A 9 -7.610 -0.013 4.174 1.00 0.00 C ATOM 119 O CYS A 9 -8.234 0.717 3.434 1.00 0.00 O ATOM 120 CB CYS A 9 -5.956 1.860 4.278 1.00 0.00 C ATOM 121 SG CYS A 9 -4.431 1.814 3.278 1.00 0.00 S ATOM 0 H CYS A 9 -4.721 -0.369 3.750 1.00 0.00 H new ATOM 0 HA CYS A 9 -6.543 0.556 5.944 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -6.777 2.223 3.659 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -5.828 2.577 5.089 1.00 0.00 H new ATOM 126 N LYS A 10 -7.959 -1.263 4.359 1.00 0.00 N ATOM 127 CA LYS A 10 -9.156 -1.835 3.661 1.00 0.00 C ATOM 128 C LYS A 10 -10.240 -0.760 3.433 1.00 0.00 C ATOM 129 O LYS A 10 -11.061 -0.480 4.282 1.00 0.00 O ATOM 130 CB LYS A 10 -9.614 -3.002 4.569 1.00 0.00 C ATOM 131 CG LYS A 10 -10.942 -2.702 5.273 1.00 0.00 C ATOM 132 CD LYS A 10 -11.378 -3.926 6.081 1.00 0.00 C ATOM 133 CE LYS A 10 -12.283 -4.811 5.221 1.00 0.00 C ATOM 134 NZ LYS A 10 -11.682 -6.172 5.305 1.00 0.00 N ATOM 0 H LYS A 10 -7.464 -1.916 4.967 1.00 0.00 H new ATOM 0 HA LYS A 10 -8.934 -2.195 2.656 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -9.719 -3.907 3.970 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -8.846 -3.202 5.316 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -10.831 -1.840 5.930 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -11.706 -2.447 4.539 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -10.504 -4.490 6.407 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -11.908 -3.611 6.980 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -13.307 -4.808 5.593 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -12.317 -4.457 4.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -12.248 -6.837 4.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -10.709 -6.145 4.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -11.669 -6.485 6.297 1.00 0.00 H new ATOM 148 N THR A 11 -10.227 -0.131 2.280 1.00 0.00 N ATOM 149 CA THR A 11 -11.243 0.929 2.009 1.00 0.00 C ATOM 150 C THR A 11 -11.077 1.523 0.598 1.00 0.00 C ATOM 151 O THR A 11 -12.037 1.854 -0.066 1.00 0.00 O ATOM 152 CB THR A 11 -10.960 2.001 3.075 1.00 0.00 C ATOM 153 OG1 THR A 11 -12.138 2.756 3.315 1.00 0.00 O ATOM 154 CG2 THR A 11 -9.839 2.937 2.601 1.00 0.00 C ATOM 0 H THR A 11 -9.564 -0.305 1.525 1.00 0.00 H new ATOM 0 HA THR A 11 -12.260 0.539 2.053 1.00 0.00 H new ATOM 0 HB THR A 11 -10.646 1.509 3.996 1.00 0.00 H new ATOM 0 HG1 THR A 11 -11.957 3.437 3.996 1.00 0.00 H new ATOM 0 HG21 THR A 11 -9.648 3.691 3.364 1.00 0.00 H new ATOM 0 HG22 THR A 11 -8.931 2.359 2.427 1.00 0.00 H new ATOM 0 HG23 THR A 11 -10.141 3.426 1.675 1.00 0.00 H new ATOM 162 N THR A 12 -9.861 1.700 0.171 1.00 0.00 N ATOM 163 CA THR A 12 -9.589 2.327 -1.160 1.00 0.00 C ATOM 164 C THR A 12 -10.411 1.737 -2.318 1.00 0.00 C ATOM 165 O THR A 12 -11.549 2.107 -2.520 1.00 0.00 O ATOM 166 CB THR A 12 -8.098 2.108 -1.376 1.00 0.00 C ATOM 167 OG1 THR A 12 -7.701 0.890 -0.761 1.00 0.00 O ATOM 168 CG2 THR A 12 -7.352 3.272 -0.745 1.00 0.00 C ATOM 0 H THR A 12 -9.026 1.434 0.693 1.00 0.00 H new ATOM 0 HA THR A 12 -9.881 3.377 -1.154 1.00 0.00 H new ATOM 0 HB THR A 12 -7.873 2.051 -2.441 1.00 0.00 H new ATOM 0 HG1 THR A 12 -6.831 1.011 -0.326 1.00 0.00 H new ATOM 0 HG21 THR A 12 -6.280 3.137 -0.887 1.00 0.00 H new ATOM 0 HG22 THR A 12 -7.666 4.204 -1.216 1.00 0.00 H new ATOM 0 HG23 THR A 12 -7.574 3.311 0.321 1.00 0.00 H new ATOM 176 N LYS A 13 -9.826 0.870 -3.110 1.00 0.00 N ATOM 177 CA LYS A 13 -10.549 0.306 -4.288 1.00 0.00 C ATOM 178 C LYS A 13 -12.038 0.088 -3.994 1.00 0.00 C ATOM 179 O LYS A 13 -12.860 0.155 -4.886 1.00 0.00 O ATOM 180 CB LYS A 13 -9.810 -0.994 -4.595 1.00 0.00 C ATOM 181 CG LYS A 13 -10.386 -2.144 -3.767 1.00 0.00 C ATOM 182 CD LYS A 13 -9.954 -1.972 -2.314 1.00 0.00 C ATOM 183 CE LYS A 13 -10.716 -2.964 -1.431 1.00 0.00 C ATOM 184 NZ LYS A 13 -10.154 -2.779 -0.064 1.00 0.00 N ATOM 0 H LYS A 13 -8.873 0.528 -2.988 1.00 0.00 H new ATOM 0 HA LYS A 13 -10.546 0.982 -5.143 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -9.893 -1.225 -5.657 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -8.749 -0.876 -4.377 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -11.474 -2.152 -3.838 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -10.034 -3.100 -4.154 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -8.881 -2.137 -2.221 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -10.149 -0.952 -1.984 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -11.787 -2.764 -1.447 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -10.578 -3.988 -1.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -9.553 -3.593 0.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -9.585 -1.909 -0.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -10.931 -2.706 0.624 1.00 0.00 H new ATOM 198 N TYR A 14 -12.409 -0.135 -2.764 1.00 0.00 N ATOM 199 CA TYR A 14 -13.854 -0.306 -2.468 1.00 0.00 C ATOM 200 C TYR A 14 -14.502 1.079 -2.525 1.00 0.00 C ATOM 201 O TYR A 14 -15.495 1.290 -3.193 1.00 0.00 O ATOM 202 CB TYR A 14 -13.918 -0.908 -1.064 1.00 0.00 C ATOM 203 CG TYR A 14 -14.795 -2.138 -1.085 1.00 0.00 C ATOM 204 CD1 TYR A 14 -14.710 -3.038 -2.154 1.00 0.00 C ATOM 205 CD2 TYR A 14 -15.693 -2.378 -0.038 1.00 0.00 C ATOM 206 CE1 TYR A 14 -15.521 -4.178 -2.176 1.00 0.00 C ATOM 207 CE2 TYR A 14 -16.504 -3.519 -0.059 1.00 0.00 C ATOM 208 CZ TYR A 14 -16.419 -4.419 -1.128 1.00 0.00 C ATOM 209 OH TYR A 14 -17.218 -5.543 -1.149 1.00 0.00 O ATOM 0 H TYR A 14 -11.782 -0.205 -1.962 1.00 0.00 H new ATOM 0 HA TYR A 14 -14.378 -0.953 -3.172 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -12.916 -1.168 -0.722 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -14.315 -0.176 -0.360 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -14.018 -2.852 -2.962 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -15.760 -1.683 0.786 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -15.455 -4.872 -3.001 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -17.195 -3.705 0.750 1.00 0.00 H new ATOM 0 HH TYR A 14 -17.781 -5.559 -0.347 1.00 0.00 H new ATOM 219 N ARG A 15 -13.904 2.036 -1.867 1.00 0.00 N ATOM 220 CA ARG A 15 -14.429 3.430 -1.916 1.00 0.00 C ATOM 221 C ARG A 15 -13.795 4.142 -3.107 1.00 0.00 C ATOM 222 O ARG A 15 -14.458 4.547 -4.042 1.00 0.00 O ATOM 223 CB ARG A 15 -13.971 4.078 -0.612 1.00 0.00 C ATOM 224 CG ARG A 15 -15.029 3.859 0.466 1.00 0.00 C ATOM 225 CD ARG A 15 -14.431 3.008 1.584 1.00 0.00 C ATOM 226 NE ARG A 15 -14.402 1.621 1.041 1.00 0.00 N ATOM 227 CZ ARG A 15 -15.174 0.707 1.566 1.00 0.00 C ATOM 228 NH1 ARG A 15 -14.805 0.087 2.654 1.00 0.00 N ATOM 229 NH2 ARG A 15 -16.314 0.416 1.005 1.00 0.00 N ATOM 0 H ARG A 15 -13.069 1.910 -1.294 1.00 0.00 H new ATOM 0 HA ARG A 15 -15.513 3.475 -2.024 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -13.020 3.650 -0.295 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -13.806 5.145 -0.762 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -15.367 4.817 0.862 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -15.902 3.363 0.041 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -13.430 3.350 1.847 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -15.035 3.065 2.489 1.00 0.00 H new ATOM 0 HE ARG A 15 -13.784 1.386 0.265 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -13.914 0.316 3.094 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -15.408 -0.627 3.064 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -16.603 0.902 0.156 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -16.917 -0.298 1.415 1.00 0.00 H new ATOM 243 N ASN A 16 -12.497 4.272 -3.074 1.00 0.00 N ATOM 244 CA ASN A 16 -11.765 4.928 -4.191 1.00 0.00 C ATOM 245 C ASN A 16 -11.875 4.067 -5.450 1.00 0.00 C ATOM 246 O ASN A 16 -11.303 3.002 -5.517 1.00 0.00 O ATOM 247 CB ASN A 16 -10.311 4.965 -3.719 1.00 0.00 C ATOM 248 CG ASN A 16 -9.883 6.394 -3.402 1.00 0.00 C ATOM 249 OD1 ASN A 16 -10.699 7.293 -3.340 1.00 0.00 O ATOM 250 ND2 ASN A 16 -8.617 6.637 -3.194 1.00 0.00 N ATOM 0 H ASN A 16 -11.906 3.946 -2.309 1.00 0.00 H new ATOM 0 HA ASN A 16 -12.156 5.917 -4.429 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -10.195 4.340 -2.833 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -9.663 4.548 -4.490 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -8.308 7.585 -2.978 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -7.937 5.879 -3.247 1.00 0.00 H new ATOM 257 N PRO A 17 -12.607 4.543 -6.411 1.00 0.00 N ATOM 258 CA PRO A 17 -12.770 3.787 -7.662 1.00 0.00 C ATOM 259 C PRO A 17 -11.654 4.144 -8.647 1.00 0.00 C ATOM 260 O PRO A 17 -11.549 3.577 -9.716 1.00 0.00 O ATOM 261 CB PRO A 17 -14.122 4.264 -8.177 1.00 0.00 C ATOM 262 CG PRO A 17 -14.326 5.631 -7.580 1.00 0.00 C ATOM 263 CD PRO A 17 -13.353 5.800 -6.432 1.00 0.00 C ATOM 0 HA PRO A 17 -12.721 2.706 -7.529 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -14.133 4.307 -9.266 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -14.918 3.583 -7.877 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -14.162 6.402 -8.333 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -15.352 5.742 -7.228 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -12.693 6.653 -6.591 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -13.874 5.971 -5.490 1.00 0.00 H new ATOM 271 N SER A 18 -10.821 5.084 -8.295 1.00 0.00 N ATOM 272 CA SER A 18 -9.714 5.480 -9.212 1.00 0.00 C ATOM 273 C SER A 18 -8.384 4.895 -8.723 1.00 0.00 C ATOM 274 O SER A 18 -7.483 4.651 -9.500 1.00 0.00 O ATOM 275 CB SER A 18 -9.681 7.007 -9.156 1.00 0.00 C ATOM 276 OG SER A 18 -8.544 7.478 -9.868 1.00 0.00 O ATOM 0 H SER A 18 -10.858 5.595 -7.413 1.00 0.00 H new ATOM 0 HA SER A 18 -9.867 5.112 -10.227 1.00 0.00 H new ATOM 0 HB2 SER A 18 -10.592 7.418 -9.590 1.00 0.00 H new ATOM 0 HB3 SER A 18 -9.641 7.344 -8.120 1.00 0.00 H new ATOM 0 HG SER A 18 -8.520 8.457 -9.836 1.00 0.00 H new ATOM 282 N LEU A 19 -8.253 4.676 -7.444 1.00 0.00 N ATOM 283 CA LEU A 19 -6.972 4.113 -6.917 1.00 0.00 C ATOM 284 C LEU A 19 -6.858 2.625 -7.238 1.00 0.00 C ATOM 285 O LEU A 19 -7.812 1.984 -7.633 1.00 0.00 O ATOM 286 CB LEU A 19 -6.998 4.364 -5.395 1.00 0.00 C ATOM 287 CG LEU A 19 -7.542 3.151 -4.608 1.00 0.00 C ATOM 288 CD1 LEU A 19 -8.801 2.596 -5.266 1.00 0.00 C ATOM 289 CD2 LEU A 19 -6.495 2.041 -4.538 1.00 0.00 C ATOM 0 H LEU A 19 -8.970 4.860 -6.743 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.104 4.586 -7.377 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.990 4.595 -5.050 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -7.615 5.237 -5.184 1.00 0.00 H new ATOM 0 HG LEU A 19 -7.781 3.494 -3.601 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -9.165 1.743 -4.694 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -9.569 3.369 -5.292 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.570 2.279 -6.283 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.898 1.196 -3.980 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.237 1.720 -5.547 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.602 2.414 -4.037 1.00 0.00 H new ATOM 301 N LYS A 20 -5.696 2.071 -7.056 1.00 0.00 N ATOM 302 CA LYS A 20 -5.508 0.626 -7.331 1.00 0.00 C ATOM 303 C LYS A 20 -4.498 0.036 -6.345 1.00 0.00 C ATOM 304 O LYS A 20 -4.332 0.525 -5.246 1.00 0.00 O ATOM 305 CB LYS A 20 -4.971 0.568 -8.760 1.00 0.00 C ATOM 306 CG LYS A 20 -3.759 1.494 -8.891 1.00 0.00 C ATOM 307 CD LYS A 20 -3.404 1.662 -10.369 1.00 0.00 C ATOM 308 CE LYS A 20 -3.832 3.051 -10.846 1.00 0.00 C ATOM 309 NZ LYS A 20 -2.729 3.505 -11.738 1.00 0.00 N ATOM 0 H LYS A 20 -4.864 2.561 -6.727 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.429 0.053 -7.221 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.689 -0.454 -9.012 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -5.748 0.867 -9.464 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -3.979 2.464 -8.446 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -2.910 1.079 -8.347 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -2.331 1.532 -10.513 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.901 0.894 -10.962 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -4.781 3.010 -11.380 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -3.968 3.733 -10.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -2.948 4.453 -12.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.840 3.540 -11.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.628 2.840 -12.531 1.00 0.00 H new ATOM 323 N LEU A 21 -3.829 -1.015 -6.725 1.00 0.00 N ATOM 324 CA LEU A 21 -2.838 -1.639 -5.807 1.00 0.00 C ATOM 325 C LEU A 21 -1.464 -1.692 -6.484 1.00 0.00 C ATOM 326 O LEU A 21 -1.356 -1.969 -7.662 1.00 0.00 O ATOM 327 CB LEU A 21 -3.380 -3.047 -5.562 1.00 0.00 C ATOM 328 CG LEU A 21 -4.478 -3.005 -4.490 1.00 0.00 C ATOM 329 CD1 LEU A 21 -5.626 -2.099 -4.950 1.00 0.00 C ATOM 330 CD2 LEU A 21 -5.016 -4.418 -4.260 1.00 0.00 C ATOM 0 H LEU A 21 -3.926 -1.470 -7.633 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.710 -1.084 -4.878 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.780 -3.458 -6.489 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.573 -3.706 -5.243 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.057 -2.612 -3.564 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.400 -2.075 -4.183 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.249 -1.090 -5.116 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.046 -2.487 -5.878 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -5.796 -4.391 -3.499 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.430 -4.806 -5.191 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.206 -5.066 -3.926 1.00 0.00 H new ATOM 342 N MET A 22 -0.412 -1.427 -5.755 1.00 0.00 N ATOM 343 CA MET A 22 0.942 -1.465 -6.373 1.00 0.00 C ATOM 344 C MET A 22 1.697 -2.699 -5.883 1.00 0.00 C ATOM 345 O MET A 22 1.697 -3.022 -4.712 1.00 0.00 O ATOM 346 CB MET A 22 1.671 -0.168 -5.944 1.00 0.00 C ATOM 347 CG MET A 22 0.716 0.812 -5.236 1.00 0.00 C ATOM 348 SD MET A 22 1.581 2.335 -4.735 1.00 0.00 S ATOM 349 CE MET A 22 3.076 2.172 -5.743 1.00 0.00 C ATOM 0 H MET A 22 -0.433 -1.187 -4.764 1.00 0.00 H new ATOM 0 HA MET A 22 0.882 -1.524 -7.460 1.00 0.00 H new ATOM 0 HB2 MET A 22 2.497 -0.418 -5.278 1.00 0.00 H new ATOM 0 HB3 MET A 22 2.103 0.314 -6.821 1.00 0.00 H new ATOM 0 HG2 MET A 22 -0.110 1.063 -5.902 1.00 0.00 H new ATOM 0 HG3 MET A 22 0.284 0.331 -4.358 1.00 0.00 H new ATOM 0 HE1 MET A 22 3.831 2.875 -5.391 1.00 0.00 H new ATOM 0 HE2 MET A 22 3.461 1.155 -5.661 1.00 0.00 H new ATOM 0 HE3 MET A 22 2.838 2.387 -6.785 1.00 0.00 H new ATOM 359 N VAL A 23 2.327 -3.398 -6.782 1.00 0.00 N ATOM 360 CA VAL A 23 3.076 -4.630 -6.390 1.00 0.00 C ATOM 361 C VAL A 23 4.583 -4.370 -6.422 1.00 0.00 C ATOM 362 O VAL A 23 5.029 -3.309 -6.809 1.00 0.00 O ATOM 363 CB VAL A 23 2.680 -5.668 -7.439 1.00 0.00 C ATOM 364 CG1 VAL A 23 3.321 -7.011 -7.096 1.00 0.00 C ATOM 365 CG2 VAL A 23 1.157 -5.820 -7.450 1.00 0.00 C ATOM 0 H VAL A 23 2.358 -3.172 -7.776 1.00 0.00 H new ATOM 0 HA VAL A 23 2.841 -4.959 -5.378 1.00 0.00 H new ATOM 0 HB VAL A 23 3.023 -5.343 -8.421 1.00 0.00 H new ATOM 0 HG11 VAL A 23 3.038 -7.751 -7.845 1.00 0.00 H new ATOM 0 HG12 VAL A 23 4.406 -6.904 -7.083 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.977 -7.338 -6.115 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.871 -6.560 -8.197 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.817 -6.146 -6.467 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.697 -4.862 -7.693 1.00 0.00 H new ATOM 375 N ASN A 24 5.379 -5.325 -6.010 1.00 0.00 N ATOM 376 CA ASN A 24 6.854 -5.100 -6.020 1.00 0.00 C ATOM 377 C ASN A 24 7.627 -6.346 -5.595 1.00 0.00 C ATOM 378 O ASN A 24 7.071 -7.290 -5.074 1.00 0.00 O ATOM 379 CB ASN A 24 7.085 -4.008 -4.989 1.00 0.00 C ATOM 380 CG ASN A 24 6.341 -4.362 -3.700 1.00 0.00 C ATOM 381 OD1 ASN A 24 6.895 -4.986 -2.817 1.00 0.00 O ATOM 382 ND2 ASN A 24 5.102 -3.985 -3.553 1.00 0.00 N ATOM 0 H ASN A 24 5.075 -6.238 -5.672 1.00 0.00 H new ATOM 0 HA ASN A 24 7.197 -4.842 -7.022 1.00 0.00 H new ATOM 0 HB2 ASN A 24 8.151 -3.901 -4.789 1.00 0.00 H new ATOM 0 HB3 ASN A 24 6.735 -3.050 -5.373 1.00 0.00 H new ATOM 0 HD21 ASN A 24 4.597 -4.214 -2.697 1.00 0.00 H new ATOM 0 HD22 ASN A 24 4.637 -3.461 -4.294 1.00 0.00 H new ATOM 389 N VAL A 25 8.922 -6.305 -5.787 1.00 0.00 N ATOM 390 CA VAL A 25 9.823 -7.430 -5.385 1.00 0.00 C ATOM 391 C VAL A 25 9.067 -8.767 -5.265 1.00 0.00 C ATOM 392 O VAL A 25 8.809 -9.425 -6.254 1.00 0.00 O ATOM 393 CB VAL A 25 10.398 -6.964 -4.044 1.00 0.00 C ATOM 394 CG1 VAL A 25 9.271 -6.444 -3.146 1.00 0.00 C ATOM 395 CG2 VAL A 25 11.123 -8.121 -3.354 1.00 0.00 C ATOM 0 H VAL A 25 9.405 -5.517 -6.218 1.00 0.00 H new ATOM 0 HA VAL A 25 10.598 -7.633 -6.124 1.00 0.00 H new ATOM 0 HB VAL A 25 11.110 -6.158 -4.225 1.00 0.00 H new ATOM 0 HG11 VAL A 25 9.687 -6.114 -2.194 1.00 0.00 H new ATOM 0 HG12 VAL A 25 8.774 -5.606 -3.634 1.00 0.00 H new ATOM 0 HG13 VAL A 25 8.549 -7.241 -2.970 1.00 0.00 H new ATOM 0 HG21 VAL A 25 11.528 -7.780 -2.401 1.00 0.00 H new ATOM 0 HG22 VAL A 25 10.422 -8.937 -3.179 1.00 0.00 H new ATOM 0 HG23 VAL A 25 11.936 -8.472 -3.990 1.00 0.00 H new ATOM 405 N CYS A 26 8.712 -9.185 -4.075 1.00 0.00 N ATOM 406 CA CYS A 26 7.983 -10.480 -3.928 1.00 0.00 C ATOM 407 C CYS A 26 6.838 -10.573 -4.938 1.00 0.00 C ATOM 408 O CYS A 26 6.616 -11.603 -5.544 1.00 0.00 O ATOM 409 CB CYS A 26 7.433 -10.467 -2.500 1.00 0.00 C ATOM 410 SG CYS A 26 6.683 -8.858 -2.151 1.00 0.00 S ATOM 0 H CYS A 26 8.895 -8.687 -3.204 1.00 0.00 H new ATOM 0 HA CYS A 26 8.633 -11.335 -4.111 1.00 0.00 H new ATOM 0 HB2 CYS A 26 6.693 -11.258 -2.378 1.00 0.00 H new ATOM 0 HB3 CYS A 26 8.235 -10.667 -1.789 1.00 0.00 H new ATOM 415 N GLY A 27 6.105 -9.511 -5.122 1.00 0.00 N ATOM 416 CA GLY A 27 4.972 -9.547 -6.089 1.00 0.00 C ATOM 417 C GLY A 27 3.664 -9.744 -5.322 1.00 0.00 C ATOM 418 O GLY A 27 2.921 -10.672 -5.574 1.00 0.00 O ATOM 0 H GLY A 27 6.241 -8.620 -4.645 1.00 0.00 H new ATOM 0 HA2 GLY A 27 4.936 -8.620 -6.661 1.00 0.00 H new ATOM 0 HA3 GLY A 27 5.114 -10.357 -6.804 1.00 0.00 H new ATOM 422 N HIS A 28 3.379 -8.884 -4.381 1.00 0.00 N ATOM 423 CA HIS A 28 2.121 -9.036 -3.595 1.00 0.00 C ATOM 424 C HIS A 28 1.058 -8.042 -4.087 1.00 0.00 C ATOM 425 O HIS A 28 0.416 -8.277 -5.090 1.00 0.00 O ATOM 426 CB HIS A 28 2.530 -8.780 -2.138 1.00 0.00 C ATOM 427 CG HIS A 28 2.843 -10.107 -1.498 1.00 0.00 C ATOM 428 ND1 HIS A 28 3.880 -10.291 -0.581 1.00 0.00 N ATOM 429 CD2 HIS A 28 2.260 -11.341 -1.654 1.00 0.00 C ATOM 430 CE1 HIS A 28 3.875 -11.592 -0.238 1.00 0.00 C ATOM 431 NE2 HIS A 28 2.912 -12.271 -0.859 1.00 0.00 N ATOM 0 H HIS A 28 3.960 -8.086 -4.124 1.00 0.00 H new ATOM 0 HA HIS A 28 1.671 -10.022 -3.705 1.00 0.00 H new ATOM 0 HB2 HIS A 28 3.399 -8.123 -2.097 1.00 0.00 H new ATOM 0 HB3 HIS A 28 1.726 -8.278 -1.600 1.00 0.00 H new ATOM 0 HD2 HIS A 28 1.420 -11.555 -2.299 1.00 0.00 H new ATOM 0 HE1 HIS A 28 4.571 -12.034 0.460 1.00 0.00 H new ATOM 0 HE2 HIS A 28 2.699 -13.264 -0.769 1.00 0.00 H new ATOM 439 N THR A 29 0.855 -6.944 -3.404 1.00 0.00 N ATOM 440 CA THR A 29 -0.182 -5.964 -3.866 1.00 0.00 C ATOM 441 C THR A 29 -0.388 -4.871 -2.809 1.00 0.00 C ATOM 442 O THR A 29 -0.621 -5.157 -1.651 1.00 0.00 O ATOM 443 CB THR A 29 -1.459 -6.804 -4.057 1.00 0.00 C ATOM 444 OG1 THR A 29 -1.573 -7.178 -5.423 1.00 0.00 O ATOM 445 CG2 THR A 29 -2.707 -6.008 -3.653 1.00 0.00 C ATOM 0 H THR A 29 1.355 -6.683 -2.554 1.00 0.00 H new ATOM 0 HA THR A 29 0.104 -5.452 -4.785 1.00 0.00 H new ATOM 0 HB THR A 29 -1.388 -7.688 -3.423 1.00 0.00 H new ATOM 0 HG1 THR A 29 -0.695 -7.453 -5.761 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.594 -6.624 -3.798 1.00 0.00 H new ATOM 0 HG22 THR A 29 -2.632 -5.721 -2.604 1.00 0.00 H new ATOM 0 HG23 THR A 29 -2.783 -5.112 -4.270 1.00 0.00 H new ATOM 453 N LEU A 30 -0.310 -3.625 -3.200 1.00 0.00 N ATOM 454 CA LEU A 30 -0.501 -2.523 -2.212 1.00 0.00 C ATOM 455 C LEU A 30 -1.512 -1.497 -2.694 1.00 0.00 C ATOM 456 O LEU A 30 -1.228 -0.693 -3.548 1.00 0.00 O ATOM 457 CB LEU A 30 0.853 -1.842 -2.099 1.00 0.00 C ATOM 458 CG LEU A 30 1.330 -1.939 -0.668 1.00 0.00 C ATOM 459 CD1 LEU A 30 1.286 -3.402 -0.248 1.00 0.00 C ATOM 460 CD2 LEU A 30 2.762 -1.420 -0.567 1.00 0.00 C ATOM 0 H LEU A 30 -0.123 -3.325 -4.157 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.869 -2.925 -1.268 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.571 -2.316 -2.769 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.776 -0.798 -2.401 1.00 0.00 H new ATOM 0 HG LEU A 30 0.692 -1.341 -0.018 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.627 -3.495 0.783 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.264 -3.773 -0.327 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.936 -3.987 -0.899 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.103 -1.491 0.466 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.412 -2.018 -1.206 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.795 -0.379 -0.889 1.00 0.00 H new ATOM 472 N CYS A 31 -2.672 -1.476 -2.128 1.00 0.00 N ATOM 473 CA CYS A 31 -3.649 -0.450 -2.553 1.00 0.00 C ATOM 474 C CYS A 31 -2.952 0.912 -2.558 1.00 0.00 C ATOM 475 O CYS A 31 -1.834 1.037 -2.098 1.00 0.00 O ATOM 476 CB CYS A 31 -4.766 -0.550 -1.509 1.00 0.00 C ATOM 477 SG CYS A 31 -4.801 0.883 -0.395 1.00 0.00 S ATOM 0 H CYS A 31 -2.987 -2.115 -1.398 1.00 0.00 H new ATOM 0 HA CYS A 31 -4.051 -0.586 -3.557 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -5.727 -0.636 -2.016 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -4.632 -1.459 -0.923 1.00 0.00 H new ATOM 482 N GLU A 32 -3.579 1.932 -3.064 1.00 0.00 N ATOM 483 CA GLU A 32 -2.880 3.256 -3.058 1.00 0.00 C ATOM 484 C GLU A 32 -2.736 3.745 -1.614 1.00 0.00 C ATOM 485 O GLU A 32 -1.708 4.261 -1.222 1.00 0.00 O ATOM 486 CB GLU A 32 -3.736 4.216 -3.914 1.00 0.00 C ATOM 487 CG GLU A 32 -4.645 5.096 -3.040 1.00 0.00 C ATOM 488 CD GLU A 32 -3.814 6.195 -2.373 1.00 0.00 C ATOM 489 OE1 GLU A 32 -3.032 6.824 -3.066 1.00 0.00 O ATOM 490 OE2 GLU A 32 -3.973 6.388 -1.178 1.00 0.00 O ATOM 0 H GLU A 32 -4.514 1.918 -3.471 1.00 0.00 H new ATOM 0 HA GLU A 32 -1.875 3.195 -3.475 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -3.083 4.850 -4.514 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.346 3.639 -4.609 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -5.431 5.541 -3.650 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.136 4.487 -2.281 1.00 0.00 H new ATOM 497 N SER A 33 -3.759 3.587 -0.824 1.00 0.00 N ATOM 498 CA SER A 33 -3.682 4.043 0.588 1.00 0.00 C ATOM 499 C SER A 33 -2.659 3.214 1.376 1.00 0.00 C ATOM 500 O SER A 33 -2.243 3.603 2.449 1.00 0.00 O ATOM 501 CB SER A 33 -5.091 3.863 1.164 1.00 0.00 C ATOM 502 OG SER A 33 -5.941 4.868 0.628 1.00 0.00 O ATOM 0 H SER A 33 -4.645 3.161 -1.096 1.00 0.00 H new ATOM 0 HA SER A 33 -3.355 5.081 0.654 1.00 0.00 H new ATOM 0 HB2 SER A 33 -5.475 2.873 0.917 1.00 0.00 H new ATOM 0 HB3 SER A 33 -5.065 3.932 2.251 1.00 0.00 H new ATOM 0 HG SER A 33 -5.428 5.440 0.020 1.00 0.00 H new ATOM 508 N CYS A 34 -2.229 2.083 0.865 1.00 0.00 N ATOM 509 CA CYS A 34 -1.220 1.288 1.629 1.00 0.00 C ATOM 510 C CYS A 34 0.154 1.884 1.399 1.00 0.00 C ATOM 511 O CYS A 34 0.737 2.487 2.275 1.00 0.00 O ATOM 512 CB CYS A 34 -1.230 -0.136 1.076 1.00 0.00 C ATOM 513 SG CYS A 34 -2.546 -1.101 1.839 1.00 0.00 S ATOM 0 H CYS A 34 -2.526 1.685 -0.026 1.00 0.00 H new ATOM 0 HA CYS A 34 -1.454 1.295 2.694 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -1.369 -0.112 -0.005 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.267 -0.612 1.263 1.00 0.00 H new ATOM 518 N VAL A 35 0.667 1.714 0.211 1.00 0.00 N ATOM 519 CA VAL A 35 2.004 2.264 -0.119 1.00 0.00 C ATOM 520 C VAL A 35 2.171 3.634 0.554 1.00 0.00 C ATOM 521 O VAL A 35 3.215 3.952 1.083 1.00 0.00 O ATOM 522 CB VAL A 35 1.999 2.364 -1.657 1.00 0.00 C ATOM 523 CG1 VAL A 35 2.637 3.671 -2.117 1.00 0.00 C ATOM 524 CG2 VAL A 35 2.785 1.202 -2.247 1.00 0.00 C ATOM 0 H VAL A 35 0.209 1.212 -0.550 1.00 0.00 H new ATOM 0 HA VAL A 35 2.835 1.652 0.233 1.00 0.00 H new ATOM 0 HB VAL A 35 0.964 2.333 -1.998 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.622 3.720 -3.206 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.077 4.513 -1.709 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.668 3.716 -1.766 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.780 1.274 -3.335 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.813 1.237 -1.885 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.326 0.261 -1.944 1.00 0.00 H new ATOM 534 N ASP A 36 1.146 4.441 0.555 1.00 0.00 N ATOM 535 CA ASP A 36 1.272 5.770 1.207 1.00 0.00 C ATOM 536 C ASP A 36 1.516 5.581 2.715 1.00 0.00 C ATOM 537 O ASP A 36 2.579 5.892 3.208 1.00 0.00 O ATOM 538 CB ASP A 36 -0.043 6.516 0.875 1.00 0.00 C ATOM 539 CG ASP A 36 -0.912 6.731 2.120 1.00 0.00 C ATOM 540 OD1 ASP A 36 -0.410 7.294 3.078 1.00 0.00 O ATOM 541 OD2 ASP A 36 -2.064 6.330 2.089 1.00 0.00 O ATOM 0 H ASP A 36 0.238 4.239 0.137 1.00 0.00 H new ATOM 0 HA ASP A 36 2.120 6.355 0.850 1.00 0.00 H new ATOM 0 HB2 ASP A 36 0.191 7.481 0.425 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -0.605 5.947 0.134 1.00 0.00 H new ATOM 546 N LEU A 37 0.575 5.046 3.455 1.00 0.00 N ATOM 547 CA LEU A 37 0.822 4.848 4.912 1.00 0.00 C ATOM 548 C LEU A 37 2.064 3.990 5.097 1.00 0.00 C ATOM 549 O LEU A 37 2.915 4.261 5.918 1.00 0.00 O ATOM 550 CB LEU A 37 -0.421 4.132 5.441 1.00 0.00 C ATOM 551 CG LEU A 37 -1.451 5.166 5.892 1.00 0.00 C ATOM 552 CD1 LEU A 37 -2.855 4.565 5.797 1.00 0.00 C ATOM 553 CD2 LEU A 37 -1.166 5.569 7.341 1.00 0.00 C ATOM 0 H LEU A 37 -0.339 4.743 3.117 1.00 0.00 H new ATOM 0 HA LEU A 37 0.991 5.785 5.443 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.845 3.495 4.665 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.153 3.483 6.274 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.389 6.045 5.250 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.589 5.303 6.119 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.058 4.277 4.766 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.919 3.686 6.439 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.900 6.307 7.665 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.228 4.690 7.982 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.166 5.998 7.409 1.00 0.00 H new ATOM 565 N LEU A 38 2.180 2.962 4.325 1.00 0.00 N ATOM 566 CA LEU A 38 3.371 2.090 4.433 1.00 0.00 C ATOM 567 C LEU A 38 4.646 2.940 4.444 1.00 0.00 C ATOM 568 O LEU A 38 5.507 2.774 5.283 1.00 0.00 O ATOM 569 CB LEU A 38 3.325 1.225 3.169 1.00 0.00 C ATOM 570 CG LEU A 38 3.982 -0.135 3.427 1.00 0.00 C ATOM 571 CD1 LEU A 38 5.449 0.058 3.813 1.00 0.00 C ATOM 572 CD2 LEU A 38 3.255 -0.844 4.568 1.00 0.00 C ATOM 0 H LEU A 38 1.499 2.683 3.618 1.00 0.00 H new ATOM 0 HA LEU A 38 3.374 1.496 5.347 1.00 0.00 H new ATOM 0 HB2 LEU A 38 2.291 1.083 2.856 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.838 1.735 2.353 1.00 0.00 H new ATOM 0 HG LEU A 38 3.922 -0.735 2.519 1.00 0.00 H new ATOM 0 HD11 LEU A 38 5.908 -0.914 3.995 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.975 0.562 3.002 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.511 0.663 4.717 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.722 -1.811 4.752 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.314 -0.236 5.470 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.210 -0.992 4.297 1.00 0.00 H new ATOM 584 N PHE A 39 4.796 3.814 3.481 1.00 0.00 N ATOM 585 CA PHE A 39 6.048 4.630 3.401 1.00 0.00 C ATOM 586 C PHE A 39 5.986 5.959 4.158 1.00 0.00 C ATOM 587 O PHE A 39 7.001 6.467 4.584 1.00 0.00 O ATOM 588 CB PHE A 39 6.272 4.871 1.907 1.00 0.00 C ATOM 589 CG PHE A 39 5.972 3.600 1.152 1.00 0.00 C ATOM 590 CD1 PHE A 39 6.235 2.365 1.753 1.00 0.00 C ATOM 591 CD2 PHE A 39 5.405 3.650 -0.125 1.00 0.00 C ATOM 592 CE1 PHE A 39 5.933 1.178 1.081 1.00 0.00 C ATOM 593 CE2 PHE A 39 5.093 2.462 -0.796 1.00 0.00 C ATOM 594 CZ PHE A 39 5.356 1.227 -0.191 1.00 0.00 C ATOM 0 H PHE A 39 4.110 3.998 2.749 1.00 0.00 H new ATOM 0 HA PHE A 39 6.866 4.092 3.881 1.00 0.00 H new ATOM 0 HB2 PHE A 39 5.629 5.678 1.556 1.00 0.00 H new ATOM 0 HB3 PHE A 39 7.301 5.182 1.726 1.00 0.00 H new ATOM 0 HD1 PHE A 39 6.673 2.329 2.740 1.00 0.00 H new ATOM 0 HD2 PHE A 39 5.208 4.603 -0.593 1.00 0.00 H new ATOM 0 HE1 PHE A 39 6.145 0.225 1.543 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.650 2.498 -1.780 1.00 0.00 H new ATOM 0 HZ PHE A 39 5.113 0.311 -0.708 1.00 0.00 H new ATOM 604 N VAL A 40 4.844 6.553 4.312 1.00 0.00 N ATOM 605 CA VAL A 40 4.824 7.873 5.035 1.00 0.00 C ATOM 606 C VAL A 40 5.617 7.741 6.333 1.00 0.00 C ATOM 607 O VAL A 40 6.142 8.704 6.857 1.00 0.00 O ATOM 608 CB VAL A 40 3.367 8.230 5.343 1.00 0.00 C ATOM 609 CG1 VAL A 40 2.536 8.224 4.063 1.00 0.00 C ATOM 610 CG2 VAL A 40 2.793 7.233 6.347 1.00 0.00 C ATOM 0 H VAL A 40 3.942 6.206 3.985 1.00 0.00 H new ATOM 0 HA VAL A 40 5.273 8.656 4.423 1.00 0.00 H new ATOM 0 HB VAL A 40 3.332 9.231 5.773 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.503 8.480 4.299 1.00 0.00 H new ATOM 0 HG12 VAL A 40 2.940 8.956 3.363 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.570 7.233 3.611 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.756 7.491 6.563 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.837 6.228 5.928 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.375 7.268 7.268 1.00 0.00 H new ATOM 620 N ARG A 41 5.716 6.547 6.848 1.00 0.00 N ATOM 621 CA ARG A 41 6.490 6.337 8.108 1.00 0.00 C ATOM 622 C ARG A 41 7.954 6.066 7.759 1.00 0.00 C ATOM 623 O ARG A 41 8.713 5.554 8.555 1.00 0.00 O ATOM 624 CB ARG A 41 5.870 5.104 8.785 1.00 0.00 C ATOM 625 CG ARG A 41 4.396 4.959 8.392 1.00 0.00 C ATOM 626 CD ARG A 41 3.684 4.046 9.394 1.00 0.00 C ATOM 627 NE ARG A 41 3.414 2.789 8.642 1.00 0.00 N ATOM 628 CZ ARG A 41 4.059 1.697 8.945 1.00 0.00 C ATOM 629 NH1 ARG A 41 4.157 1.320 10.190 1.00 0.00 N ATOM 630 NH2 ARG A 41 4.608 0.980 8.002 1.00 0.00 N ATOM 0 H ARG A 41 5.295 5.706 6.452 1.00 0.00 H new ATOM 0 HA ARG A 41 6.453 7.207 8.763 1.00 0.00 H new ATOM 0 HB2 ARG A 41 6.419 4.208 8.495 1.00 0.00 H new ATOM 0 HB3 ARG A 41 5.956 5.195 9.868 1.00 0.00 H new ATOM 0 HG2 ARG A 41 3.917 5.938 8.372 1.00 0.00 H new ATOM 0 HG3 ARG A 41 4.316 4.545 7.387 1.00 0.00 H new ATOM 0 HD2 ARG A 41 4.307 3.857 10.268 1.00 0.00 H new ATOM 0 HD3 ARG A 41 2.759 4.498 9.753 1.00 0.00 H new ATOM 0 HE ARG A 41 2.725 2.782 7.890 1.00 0.00 H new ATOM 0 HH11 ARG A 41 3.729 1.880 10.928 1.00 0.00 H new ATOM 0 HH12 ARG A 41 4.662 0.466 10.426 1.00 0.00 H new ATOM 0 HH21 ARG A 41 4.532 1.274 7.028 1.00 0.00 H new ATOM 0 HH22 ARG A 41 5.113 0.126 8.239 1.00 0.00 H new ATOM 644 N GLY A 42 8.346 6.402 6.560 1.00 0.00 N ATOM 645 CA GLY A 42 9.748 6.161 6.130 1.00 0.00 C ATOM 646 C GLY A 42 9.819 4.830 5.380 1.00 0.00 C ATOM 647 O GLY A 42 10.684 4.014 5.630 1.00 0.00 O ATOM 0 H GLY A 42 7.749 6.836 5.857 1.00 0.00 H new ATOM 0 HA2 GLY A 42 10.089 6.973 5.488 1.00 0.00 H new ATOM 0 HA3 GLY A 42 10.409 6.140 6.997 1.00 0.00 H new ATOM 651 N ALA A 43 8.910 4.595 4.464 1.00 0.00 N ATOM 652 CA ALA A 43 8.932 3.300 3.714 1.00 0.00 C ATOM 653 C ALA A 43 8.576 2.161 4.674 1.00 0.00 C ATOM 654 O ALA A 43 7.778 2.342 5.572 1.00 0.00 O ATOM 655 CB ALA A 43 10.350 3.183 3.199 1.00 0.00 C ATOM 0 H ALA A 43 8.161 5.237 4.205 1.00 0.00 H new ATOM 0 HA ALA A 43 8.214 3.254 2.895 1.00 0.00 H new ATOM 0 HB1 ALA A 43 10.457 2.257 2.634 1.00 0.00 H new ATOM 0 HB2 ALA A 43 10.573 4.031 2.551 1.00 0.00 H new ATOM 0 HB3 ALA A 43 11.043 3.177 4.040 1.00 0.00 H new ATOM 661 N GLY A 44 9.144 0.996 4.520 1.00 0.00 N ATOM 662 CA GLY A 44 8.789 -0.101 5.464 1.00 0.00 C ATOM 663 C GLY A 44 8.686 -1.416 4.706 1.00 0.00 C ATOM 664 O GLY A 44 8.595 -2.477 5.292 1.00 0.00 O ATOM 0 H GLY A 44 9.824 0.759 3.798 1.00 0.00 H new ATOM 0 HA2 GLY A 44 9.544 -0.179 6.246 1.00 0.00 H new ATOM 0 HA3 GLY A 44 7.842 0.122 5.956 1.00 0.00 H new ATOM 668 N ASN A 45 8.717 -1.360 3.403 1.00 0.00 N ATOM 669 CA ASN A 45 8.641 -2.611 2.594 1.00 0.00 C ATOM 670 C ASN A 45 7.232 -3.202 2.638 1.00 0.00 C ATOM 671 O ASN A 45 6.332 -2.664 3.252 1.00 0.00 O ATOM 672 CB ASN A 45 9.648 -3.576 3.231 1.00 0.00 C ATOM 673 CG ASN A 45 10.876 -2.796 3.712 1.00 0.00 C ATOM 674 OD1 ASN A 45 11.149 -1.721 3.220 1.00 0.00 O ATOM 675 ND2 ASN A 45 11.620 -3.283 4.668 1.00 0.00 N ATOM 0 H ASN A 45 8.792 -0.499 2.861 1.00 0.00 H new ATOM 0 HA ASN A 45 8.869 -2.422 1.545 1.00 0.00 H new ATOM 0 HB2 ASN A 45 9.186 -4.099 4.069 1.00 0.00 H new ATOM 0 HB3 ASN A 45 9.947 -4.335 2.508 1.00 0.00 H new ATOM 0 HD21 ASN A 45 12.430 -2.760 5.001 1.00 0.00 H new ATOM 0 HD22 ASN A 45 11.391 -4.187 5.082 1.00 0.00 H new ATOM 682 N CYS A 46 7.041 -4.305 1.977 1.00 0.00 N ATOM 683 CA CYS A 46 5.699 -4.949 1.948 1.00 0.00 C ATOM 684 C CYS A 46 5.019 -4.902 3.321 1.00 0.00 C ATOM 685 O CYS A 46 5.650 -5.088 4.343 1.00 0.00 O ATOM 686 CB CYS A 46 5.978 -6.390 1.558 1.00 0.00 C ATOM 687 SG CYS A 46 4.702 -6.988 0.422 1.00 0.00 S ATOM 0 H CYS A 46 7.764 -4.795 1.449 1.00 0.00 H new ATOM 0 HA CYS A 46 5.026 -4.440 1.258 1.00 0.00 H new ATOM 0 HB2 CYS A 46 6.958 -6.464 1.087 1.00 0.00 H new ATOM 0 HB3 CYS A 46 6.005 -7.017 2.449 1.00 0.00 H new ATOM 692 N PRO A 47 3.737 -4.669 3.279 1.00 0.00 N ATOM 693 CA PRO A 47 2.910 -4.609 4.500 1.00 0.00 C ATOM 694 C PRO A 47 2.416 -6.006 4.875 1.00 0.00 C ATOM 695 O PRO A 47 1.874 -6.218 5.942 1.00 0.00 O ATOM 696 CB PRO A 47 1.734 -3.736 4.074 1.00 0.00 C ATOM 697 CG PRO A 47 1.636 -3.885 2.588 1.00 0.00 C ATOM 698 CD PRO A 47 2.946 -4.430 2.081 1.00 0.00 C ATOM 0 HA PRO A 47 3.447 -4.224 5.367 1.00 0.00 H new ATOM 0 HB2 PRO A 47 0.813 -4.055 4.561 1.00 0.00 H new ATOM 0 HB3 PRO A 47 1.898 -2.695 4.353 1.00 0.00 H new ATOM 0 HG2 PRO A 47 0.818 -4.557 2.327 1.00 0.00 H new ATOM 0 HG3 PRO A 47 1.419 -2.923 2.123 1.00 0.00 H new ATOM 0 HD2 PRO A 47 2.799 -5.349 1.514 1.00 0.00 H new ATOM 0 HD3 PRO A 47 3.439 -3.721 1.416 1.00 0.00 H new ATOM 706 N GLU A 48 2.572 -6.955 3.993 1.00 0.00 N ATOM 707 CA GLU A 48 2.079 -8.330 4.292 1.00 0.00 C ATOM 708 C GLU A 48 3.238 -9.327 4.466 1.00 0.00 C ATOM 709 O GLU A 48 3.136 -10.268 5.228 1.00 0.00 O ATOM 710 CB GLU A 48 1.196 -8.694 3.090 1.00 0.00 C ATOM 711 CG GLU A 48 2.044 -9.270 1.952 1.00 0.00 C ATOM 712 CD GLU A 48 2.055 -10.797 2.047 1.00 0.00 C ATOM 713 OE1 GLU A 48 2.727 -11.313 2.924 1.00 0.00 O ATOM 714 OE2 GLU A 48 1.390 -11.425 1.239 1.00 0.00 O ATOM 0 H GLU A 48 3.017 -6.839 3.083 1.00 0.00 H new ATOM 0 HA GLU A 48 1.529 -8.370 5.232 1.00 0.00 H new ATOM 0 HB2 GLU A 48 0.442 -9.421 3.393 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.664 -7.809 2.742 1.00 0.00 H new ATOM 0 HG2 GLU A 48 1.640 -8.958 0.989 1.00 0.00 H new ATOM 0 HG3 GLU A 48 3.062 -8.884 2.011 1.00 0.00 H new ATOM 721 N CYS A 49 4.337 -9.142 3.780 1.00 0.00 N ATOM 722 CA CYS A 49 5.472 -10.102 3.943 1.00 0.00 C ATOM 723 C CYS A 49 6.749 -9.352 4.337 1.00 0.00 C ATOM 724 O CYS A 49 7.829 -9.910 4.352 1.00 0.00 O ATOM 725 CB CYS A 49 5.603 -10.819 2.586 1.00 0.00 C ATOM 726 SG CYS A 49 6.706 -9.921 1.458 1.00 0.00 S ATOM 0 H CYS A 49 4.498 -8.379 3.122 1.00 0.00 H new ATOM 0 HA CYS A 49 5.299 -10.826 4.739 1.00 0.00 H new ATOM 0 HB2 CYS A 49 5.985 -11.828 2.742 1.00 0.00 H new ATOM 0 HB3 CYS A 49 4.618 -10.918 2.130 1.00 0.00 H new ATOM 731 N GLY A 50 6.617 -8.096 4.678 1.00 0.00 N ATOM 732 CA GLY A 50 7.799 -7.285 5.099 1.00 0.00 C ATOM 733 C GLY A 50 9.043 -7.681 4.302 1.00 0.00 C ATOM 734 O GLY A 50 9.747 -8.609 4.651 1.00 0.00 O ATOM 0 H GLY A 50 5.730 -7.592 4.683 1.00 0.00 H new ATOM 0 HA2 GLY A 50 7.590 -6.226 4.952 1.00 0.00 H new ATOM 0 HA3 GLY A 50 7.983 -7.428 6.164 1.00 0.00 H new ATOM 738 N THR A 51 9.329 -6.976 3.244 1.00 0.00 N ATOM 739 CA THR A 51 10.538 -7.301 2.435 1.00 0.00 C ATOM 740 C THR A 51 11.675 -6.347 2.811 1.00 0.00 C ATOM 741 O THR A 51 11.455 -5.363 3.480 1.00 0.00 O ATOM 742 CB THR A 51 10.110 -7.088 0.982 1.00 0.00 C ATOM 743 OG1 THR A 51 9.796 -5.717 0.780 1.00 0.00 O ATOM 744 CG2 THR A 51 8.880 -7.943 0.680 1.00 0.00 C ATOM 0 H THR A 51 8.778 -6.188 2.904 1.00 0.00 H new ATOM 0 HA THR A 51 10.899 -8.316 2.602 1.00 0.00 H new ATOM 0 HB THR A 51 10.923 -7.378 0.317 1.00 0.00 H new ATOM 0 HG1 THR A 51 9.374 -5.604 -0.097 1.00 0.00 H new ATOM 0 HG21 THR A 51 8.576 -7.790 -0.356 1.00 0.00 H new ATOM 0 HG22 THR A 51 9.121 -8.995 0.836 1.00 0.00 H new ATOM 0 HG23 THR A 51 8.065 -7.655 1.344 1.00 0.00 H new ATOM 752 N PRO A 52 12.859 -6.671 2.375 1.00 0.00 N ATOM 753 CA PRO A 52 14.031 -5.824 2.681 1.00 0.00 C ATOM 754 C PRO A 52 14.130 -4.658 1.687 1.00 0.00 C ATOM 755 O PRO A 52 15.059 -4.584 0.907 1.00 0.00 O ATOM 756 CB PRO A 52 15.206 -6.778 2.505 1.00 0.00 C ATOM 757 CG PRO A 52 14.728 -7.837 1.554 1.00 0.00 C ATOM 758 CD PRO A 52 13.217 -7.844 1.577 1.00 0.00 C ATOM 0 HA PRO A 52 13.987 -5.374 3.673 1.00 0.00 H new ATOM 0 HB2 PRO A 52 16.077 -6.258 2.107 1.00 0.00 H new ATOM 0 HB3 PRO A 52 15.504 -7.213 3.459 1.00 0.00 H new ATOM 0 HG2 PRO A 52 15.092 -7.636 0.547 1.00 0.00 H new ATOM 0 HG3 PRO A 52 15.117 -8.813 1.845 1.00 0.00 H new ATOM 0 HD2 PRO A 52 12.804 -7.781 0.570 1.00 0.00 H new ATOM 0 HD3 PRO A 52 12.831 -8.761 2.023 1.00 0.00 H new ATOM 766 N LEU A 53 13.192 -3.743 1.703 1.00 0.00 N ATOM 767 CA LEU A 53 13.264 -2.602 0.754 1.00 0.00 C ATOM 768 C LEU A 53 13.325 -1.286 1.543 1.00 0.00 C ATOM 769 O LEU A 53 13.354 -1.295 2.757 1.00 0.00 O ATOM 770 CB LEU A 53 11.979 -2.716 -0.078 1.00 0.00 C ATOM 771 CG LEU A 53 11.874 -4.130 -0.687 1.00 0.00 C ATOM 772 CD1 LEU A 53 10.853 -4.130 -1.817 1.00 0.00 C ATOM 773 CD2 LEU A 53 13.232 -4.552 -1.253 1.00 0.00 C ATOM 0 H LEU A 53 12.387 -3.741 2.329 1.00 0.00 H new ATOM 0 HA LEU A 53 14.148 -2.617 0.116 1.00 0.00 H new ATOM 0 HB2 LEU A 53 11.110 -2.515 0.549 1.00 0.00 H new ATOM 0 HB3 LEU A 53 11.981 -1.968 -0.871 1.00 0.00 H new ATOM 0 HG LEU A 53 11.564 -4.826 0.092 1.00 0.00 H new ATOM 0 HD11 LEU A 53 10.783 -5.131 -2.244 1.00 0.00 H new ATOM 0 HD12 LEU A 53 9.879 -3.832 -1.428 1.00 0.00 H new ATOM 0 HD13 LEU A 53 11.165 -3.427 -2.590 1.00 0.00 H new ATOM 0 HD21 LEU A 53 13.153 -5.551 -1.682 1.00 0.00 H new ATOM 0 HD22 LEU A 53 13.538 -3.848 -2.027 1.00 0.00 H new ATOM 0 HD23 LEU A 53 13.973 -4.558 -0.454 1.00 0.00 H new ATOM 785 N ARG A 54 13.361 -0.158 0.882 1.00 0.00 N ATOM 786 CA ARG A 54 13.434 1.131 1.639 1.00 0.00 C ATOM 787 C ARG A 54 13.420 2.338 0.692 1.00 0.00 C ATOM 788 O ARG A 54 14.359 3.108 0.648 1.00 0.00 O ATOM 789 CB ARG A 54 14.765 1.072 2.392 1.00 0.00 C ATOM 790 CG ARG A 54 14.895 2.298 3.298 1.00 0.00 C ATOM 791 CD ARG A 54 16.319 2.376 3.852 1.00 0.00 C ATOM 792 NE ARG A 54 17.015 3.365 2.983 1.00 0.00 N ATOM 793 CZ ARG A 54 18.304 3.539 3.095 1.00 0.00 C ATOM 794 NH1 ARG A 54 19.087 2.513 3.285 1.00 0.00 N ATOM 795 NH2 ARG A 54 18.809 4.740 3.016 1.00 0.00 N ATOM 0 H ARG A 54 13.343 -0.071 -0.134 1.00 0.00 H new ATOM 0 HA ARG A 54 12.579 1.250 2.304 1.00 0.00 H new ATOM 0 HB2 ARG A 54 14.818 0.160 2.987 1.00 0.00 H new ATOM 0 HB3 ARG A 54 15.594 1.040 1.685 1.00 0.00 H new ATOM 0 HG2 ARG A 54 14.661 3.203 2.738 1.00 0.00 H new ATOM 0 HG3 ARG A 54 14.178 2.236 4.117 1.00 0.00 H new ATOM 0 HD2 ARG A 54 16.320 2.696 4.894 1.00 0.00 H new ATOM 0 HD3 ARG A 54 16.811 1.404 3.816 1.00 0.00 H new ATOM 0 HE ARG A 54 16.485 3.906 2.300 1.00 0.00 H new ATOM 0 HH11 ARG A 54 18.692 1.575 3.346 1.00 0.00 H new ATOM 0 HH12 ARG A 54 20.094 2.649 3.372 1.00 0.00 H new ATOM 0 HH21 ARG A 54 18.197 5.542 2.867 1.00 0.00 H new ATOM 0 HH22 ARG A 54 19.816 4.877 3.103 1.00 0.00 H new ATOM 809 N LYS A 55 12.365 2.517 -0.055 1.00 0.00 N ATOM 810 CA LYS A 55 12.296 3.686 -0.984 1.00 0.00 C ATOM 811 C LYS A 55 11.044 3.593 -1.861 1.00 0.00 C ATOM 812 O LYS A 55 11.106 3.719 -3.067 1.00 0.00 O ATOM 813 CB LYS A 55 13.565 3.606 -1.841 1.00 0.00 C ATOM 814 CG LYS A 55 13.801 2.164 -2.296 1.00 0.00 C ATOM 815 CD LYS A 55 12.755 1.783 -3.342 1.00 0.00 C ATOM 816 CE LYS A 55 13.239 0.570 -4.135 1.00 0.00 C ATOM 817 NZ LYS A 55 14.354 1.080 -4.980 1.00 0.00 N ATOM 0 H LYS A 55 11.548 1.907 -0.064 1.00 0.00 H new ATOM 0 HA LYS A 55 12.237 4.632 -0.445 1.00 0.00 H new ATOM 0 HB2 LYS A 55 13.469 4.258 -2.709 1.00 0.00 H new ATOM 0 HB3 LYS A 55 14.423 3.960 -1.269 1.00 0.00 H new ATOM 0 HG2 LYS A 55 14.803 2.062 -2.714 1.00 0.00 H new ATOM 0 HG3 LYS A 55 13.741 1.488 -1.443 1.00 0.00 H new ATOM 0 HD2 LYS A 55 11.806 1.557 -2.856 1.00 0.00 H new ATOM 0 HD3 LYS A 55 12.577 2.622 -4.015 1.00 0.00 H new ATOM 0 HE2 LYS A 55 13.579 -0.225 -3.471 1.00 0.00 H new ATOM 0 HE3 LYS A 55 12.439 0.154 -4.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 14.329 0.611 -5.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 14.251 2.107 -5.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 15.262 0.879 -4.515 1.00 0.00 H new ATOM 831 N SER A 56 9.905 3.372 -1.264 1.00 0.00 N ATOM 832 CA SER A 56 8.649 3.263 -2.061 1.00 0.00 C ATOM 833 C SER A 56 8.887 2.379 -3.291 1.00 0.00 C ATOM 834 O SER A 56 8.759 2.809 -4.420 1.00 0.00 O ATOM 835 CB SER A 56 8.303 4.692 -2.481 1.00 0.00 C ATOM 836 OG SER A 56 9.493 5.386 -2.831 1.00 0.00 O ATOM 0 H SER A 56 9.789 3.262 -0.257 1.00 0.00 H new ATOM 0 HA SER A 56 7.838 2.810 -1.491 1.00 0.00 H new ATOM 0 HB2 SER A 56 7.616 4.677 -3.327 1.00 0.00 H new ATOM 0 HB3 SER A 56 7.795 5.208 -1.667 1.00 0.00 H new ATOM 0 HG SER A 56 10.041 4.822 -3.416 1.00 0.00 H new ATOM 842 N ASN A 57 9.237 1.144 -3.067 1.00 0.00 N ATOM 843 CA ASN A 57 9.497 0.198 -4.195 1.00 0.00 C ATOM 844 C ASN A 57 8.204 -0.497 -4.630 1.00 0.00 C ATOM 845 O ASN A 57 8.139 -1.706 -4.678 1.00 0.00 O ATOM 846 CB ASN A 57 10.431 -0.838 -3.584 1.00 0.00 C ATOM 847 CG ASN A 57 9.748 -1.449 -2.361 1.00 0.00 C ATOM 848 OD1 ASN A 57 9.977 -1.024 -1.246 1.00 0.00 O ATOM 849 ND2 ASN A 57 8.911 -2.438 -2.522 1.00 0.00 N ATOM 0 H ASN A 57 9.356 0.741 -2.138 1.00 0.00 H new ATOM 0 HA ASN A 57 9.904 0.702 -5.071 1.00 0.00 H new ATOM 0 HB2 ASN A 57 10.665 -1.613 -4.313 1.00 0.00 H new ATOM 0 HB3 ASN A 57 11.375 -0.374 -3.298 1.00 0.00 H new ATOM 0 HD21 ASN A 57 8.450 -2.853 -1.712 1.00 0.00 H new ATOM 0 HD22 ASN A 57 8.718 -2.796 -3.458 1.00 0.00 H new ATOM 856 N PHE A 58 7.169 0.236 -4.916 1.00 0.00 N ATOM 857 CA PHE A 58 5.892 -0.429 -5.304 1.00 0.00 C ATOM 858 C PHE A 58 5.362 0.127 -6.627 1.00 0.00 C ATOM 859 O PHE A 58 5.215 1.318 -6.805 1.00 0.00 O ATOM 860 CB PHE A 58 4.941 -0.139 -4.124 1.00 0.00 C ATOM 861 CG PHE A 58 5.613 -0.590 -2.841 1.00 0.00 C ATOM 862 CD1 PHE A 58 6.730 0.092 -2.343 1.00 0.00 C ATOM 863 CD2 PHE A 58 5.132 -1.719 -2.168 1.00 0.00 C ATOM 864 CE1 PHE A 58 7.366 -0.356 -1.178 1.00 0.00 C ATOM 865 CE2 PHE A 58 5.762 -2.162 -0.998 1.00 0.00 C ATOM 866 CZ PHE A 58 6.880 -1.482 -0.505 1.00 0.00 C ATOM 0 H PHE A 58 7.147 1.256 -4.899 1.00 0.00 H new ATOM 0 HA PHE A 58 6.006 -1.499 -5.476 1.00 0.00 H new ATOM 0 HB2 PHE A 58 4.710 0.925 -4.077 1.00 0.00 H new ATOM 0 HB3 PHE A 58 3.996 -0.664 -4.261 1.00 0.00 H new ATOM 0 HD1 PHE A 58 7.102 0.965 -2.858 1.00 0.00 H new ATOM 0 HD2 PHE A 58 4.273 -2.250 -2.552 1.00 0.00 H new ATOM 0 HE1 PHE A 58 8.231 0.168 -0.799 1.00 0.00 H new ATOM 0 HE2 PHE A 58 5.384 -3.029 -0.477 1.00 0.00 H new ATOM 0 HZ PHE A 58 7.368 -1.826 0.395 1.00 0.00 H new ATOM 876 N ARG A 59 5.074 -0.745 -7.560 1.00 0.00 N ATOM 877 CA ARG A 59 4.542 -0.289 -8.878 1.00 0.00 C ATOM 878 C ARG A 59 3.020 -0.368 -8.853 1.00 0.00 C ATOM 879 O ARG A 59 2.442 -1.432 -8.764 1.00 0.00 O ATOM 880 CB ARG A 59 5.120 -1.245 -9.922 1.00 0.00 C ATOM 881 CG ARG A 59 4.965 -2.692 -9.451 1.00 0.00 C ATOM 882 CD ARG A 59 5.020 -3.630 -10.659 1.00 0.00 C ATOM 883 NE ARG A 59 6.272 -3.261 -11.375 1.00 0.00 N ATOM 884 CZ ARG A 59 7.428 -3.667 -10.923 1.00 0.00 C ATOM 885 NH1 ARG A 59 7.992 -3.045 -9.924 1.00 0.00 N ATOM 886 NH2 ARG A 59 8.018 -4.694 -11.469 1.00 0.00 N ATOM 0 H ARG A 59 5.185 -1.754 -7.465 1.00 0.00 H new ATOM 0 HA ARG A 59 4.819 0.741 -9.105 1.00 0.00 H new ATOM 0 HB2 ARG A 59 4.609 -1.108 -10.875 1.00 0.00 H new ATOM 0 HB3 ARG A 59 6.173 -1.020 -10.090 1.00 0.00 H new ATOM 0 HG2 ARG A 59 5.757 -2.943 -8.746 1.00 0.00 H new ATOM 0 HG3 ARG A 59 4.019 -2.815 -8.924 1.00 0.00 H new ATOM 0 HD2 ARG A 59 5.036 -4.674 -10.348 1.00 0.00 H new ATOM 0 HD3 ARG A 59 4.147 -3.502 -11.299 1.00 0.00 H new ATOM 0 HE ARG A 59 6.227 -2.691 -12.219 1.00 0.00 H new ATOM 0 HH11 ARG A 59 7.530 -2.242 -9.497 1.00 0.00 H new ATOM 0 HH12 ARG A 59 8.895 -3.362 -9.570 1.00 0.00 H new ATOM 0 HH21 ARG A 59 7.577 -5.180 -12.249 1.00 0.00 H new ATOM 0 HH22 ARG A 59 8.921 -5.011 -11.116 1.00 0.00 H new ATOM 900 N VAL A 60 2.375 0.758 -8.891 1.00 0.00 N ATOM 901 CA VAL A 60 0.887 0.778 -8.821 1.00 0.00 C ATOM 902 C VAL A 60 0.239 0.684 -10.205 1.00 0.00 C ATOM 903 O VAL A 60 0.650 1.326 -11.152 1.00 0.00 O ATOM 904 CB VAL A 60 0.574 2.105 -8.142 1.00 0.00 C ATOM 905 CG1 VAL A 60 1.148 3.256 -8.972 1.00 0.00 C ATOM 906 CG2 VAL A 60 -0.942 2.273 -8.013 1.00 0.00 C ATOM 0 H VAL A 60 2.815 1.675 -8.968 1.00 0.00 H new ATOM 0 HA VAL A 60 0.489 -0.079 -8.278 1.00 0.00 H new ATOM 0 HB VAL A 60 1.024 2.115 -7.149 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.923 4.204 -8.484 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.228 3.140 -9.057 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.702 3.245 -9.967 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.163 3.223 -7.527 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.395 2.259 -9.004 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.349 1.457 -7.416 1.00 0.00 H new ATOM 916 N GLN A 61 -0.783 -0.126 -10.310 1.00 0.00 N ATOM 917 CA GLN A 61 -1.498 -0.306 -11.607 1.00 0.00 C ATOM 918 C GLN A 61 -2.771 -1.129 -11.376 1.00 0.00 C ATOM 919 O GLN A 61 -3.024 -1.593 -10.282 1.00 0.00 O ATOM 920 CB GLN A 61 -0.526 -1.070 -12.503 1.00 0.00 C ATOM 921 CG GLN A 61 -0.184 -2.412 -11.853 1.00 0.00 C ATOM 922 CD GLN A 61 1.303 -2.711 -12.053 1.00 0.00 C ATOM 923 OE1 GLN A 61 2.104 -1.807 -12.191 1.00 0.00 O ATOM 924 NE2 GLN A 61 1.709 -3.951 -12.072 1.00 0.00 N ATOM 0 H GLN A 61 -1.157 -0.679 -9.539 1.00 0.00 H new ATOM 0 HA GLN A 61 -1.794 0.643 -12.055 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -0.970 -1.232 -13.485 1.00 0.00 H new ATOM 0 HB3 GLN A 61 0.381 -0.486 -12.656 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -0.420 -2.384 -10.789 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -0.788 -3.206 -12.293 1.00 0.00 H new ATOM 0 HE21 GLN A 61 1.037 -4.710 -11.956 1.00 0.00 H new ATOM 0 HE22 GLN A 61 2.698 -4.162 -12.203 1.00 0.00 H new ATOM 933 N LEU A 62 -3.573 -1.314 -12.391 1.00 0.00 N ATOM 934 CA LEU A 62 -4.826 -2.112 -12.217 1.00 0.00 C ATOM 935 C LEU A 62 -5.520 -2.300 -13.569 1.00 0.00 C ATOM 936 O LEU A 62 -5.994 -1.357 -14.170 1.00 0.00 O ATOM 937 CB LEU A 62 -5.703 -1.278 -11.281 1.00 0.00 C ATOM 938 CG LEU A 62 -6.388 -2.183 -10.246 1.00 0.00 C ATOM 939 CD1 LEU A 62 -5.339 -2.966 -9.450 1.00 0.00 C ATOM 940 CD2 LEU A 62 -7.204 -1.321 -9.278 1.00 0.00 C ATOM 0 H LEU A 62 -3.417 -0.949 -13.331 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.630 -3.106 -11.814 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.095 -0.529 -10.774 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.455 -0.741 -11.859 1.00 0.00 H new ATOM 0 HG LEU A 62 -7.041 -2.883 -10.768 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -5.838 -3.604 -8.720 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.752 -3.583 -10.130 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.680 -2.269 -8.933 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -7.691 -1.961 -8.543 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -6.542 -0.621 -8.768 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -7.960 -0.766 -9.834 1.00 0.00 H new ATOM 952 N PHE A 63 -5.585 -3.511 -14.053 1.00 0.00 N ATOM 953 CA PHE A 63 -6.249 -3.751 -15.365 1.00 0.00 C ATOM 954 C PHE A 63 -6.334 -5.252 -15.654 1.00 0.00 C ATOM 955 O PHE A 63 -5.626 -6.048 -15.070 1.00 0.00 O ATOM 956 CB PHE A 63 -5.355 -3.058 -16.394 1.00 0.00 C ATOM 957 CG PHE A 63 -6.184 -2.643 -17.585 1.00 0.00 C ATOM 958 CD1 PHE A 63 -6.821 -1.396 -17.594 1.00 0.00 C ATOM 959 CD2 PHE A 63 -6.318 -3.506 -18.679 1.00 0.00 C ATOM 960 CE1 PHE A 63 -7.590 -1.012 -18.700 1.00 0.00 C ATOM 961 CE2 PHE A 63 -7.088 -3.122 -19.783 1.00 0.00 C ATOM 962 CZ PHE A 63 -7.724 -1.875 -19.794 1.00 0.00 C ATOM 0 H PHE A 63 -5.208 -4.342 -13.598 1.00 0.00 H new ATOM 0 HA PHE A 63 -7.269 -3.368 -15.385 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -4.878 -2.185 -15.948 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -4.557 -3.730 -16.710 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -6.719 -0.731 -16.749 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -5.827 -4.468 -18.671 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -8.080 -0.050 -18.709 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -7.192 -3.788 -20.627 1.00 0.00 H new ATOM 0 HZ PHE A 63 -8.318 -1.579 -20.646 1.00 0.00 H new ATOM 972 N GLU A 64 -7.197 -5.642 -16.552 1.00 0.00 N ATOM 973 CA GLU A 64 -7.329 -7.091 -16.881 1.00 0.00 C ATOM 974 C GLU A 64 -6.454 -7.440 -18.088 1.00 0.00 C ATOM 975 O GLU A 64 -6.938 -7.897 -19.104 1.00 0.00 O ATOM 976 CB GLU A 64 -8.807 -7.287 -17.216 1.00 0.00 C ATOM 977 CG GLU A 64 -9.193 -8.750 -16.990 1.00 0.00 C ATOM 978 CD GLU A 64 -10.715 -8.870 -16.911 1.00 0.00 C ATOM 979 OE1 GLU A 64 -11.380 -8.295 -17.757 1.00 0.00 O ATOM 980 OE2 GLU A 64 -11.190 -9.535 -16.005 1.00 0.00 O ATOM 0 H GLU A 64 -7.816 -5.021 -17.072 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.009 -7.733 -16.060 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -9.421 -6.637 -16.592 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -8.996 -7.006 -18.252 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -8.811 -9.368 -17.803 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -8.740 -9.118 -16.069 1.00 0.00 H new ATOM 987 N ASP A 65 -5.171 -7.225 -17.987 1.00 0.00 N ATOM 988 CA ASP A 65 -4.269 -7.544 -19.130 1.00 0.00 C ATOM 989 C ASP A 65 -3.160 -8.499 -18.680 1.00 0.00 C ATOM 990 O ASP A 65 -3.412 -9.691 -18.639 1.00 0.00 O ATOM 991 CB ASP A 65 -3.680 -6.199 -19.556 1.00 0.00 C ATOM 992 CG ASP A 65 -3.143 -6.307 -20.985 1.00 0.00 C ATOM 993 OD1 ASP A 65 -3.672 -7.108 -21.737 1.00 0.00 O ATOM 994 OD2 ASP A 65 -2.211 -5.587 -21.302 1.00 0.00 O ATOM 995 OXT ASP A 65 -2.077 -8.020 -18.383 1.00 0.00 O ATOM 0 H ASP A 65 -4.708 -6.842 -17.163 1.00 0.00 H new ATOM 0 HA ASP A 65 -4.796 -8.035 -19.948 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -4.442 -5.422 -19.500 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -2.879 -5.909 -18.876 1.00 0.00 H new TER 1000 ASP A 65 HETATM 1001 ZN ZN A 66 -4.501 0.090 1.737 1.00 0.00 ZN HETATM 1002 ZN ZN A 67 5.419 -9.059 -0.243 1.00 0.00 ZN