USER MOD reduce.3.24.130724 H: found=0, std=0, add=369, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 369 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 37 HIS : no HE2:sc= -2.26 X(o=-2.5,f=-3!) USER MOD Set 1.2: A 44 TYR OH : rot 180:sc= -0.286 USER MOD Set 2.1: A 21 LYS NZ :NH3+ 168:sc= 1.19 (180deg=-0.0015) USER MOD Set 2.2: A 31 THR OG1 : rot -176:sc= 0.932 USER MOD Set 3.1: A 16 ASN : amide:sc= -0.232 K(o=0.41,f=-3.8!) USER MOD Set 3.2: A 18 THR OG1 : rot 86:sc= 0.64 USER MOD Set 4.1: A 7 SER OG : rot -85:sc= 1.91 USER MOD Set 4.2: A 42 LYS NZ :NH3+ 178:sc= 2.12 (180deg=1.1) USER MOD Single : A 1 ARG N :NH3+ 160:sc= 2.37 (180deg=1.12) USER MOD Single : A 2 MET CE :methyl 167:sc= 0 (180deg=-0.125) USER MOD Single : A 4 LYS NZ :NH3+ -161:sc= 0.988 (180deg=0.221!) USER MOD Single : A 5 THR OG1 : rot -110:sc= -0.371 USER MOD Single : A 9 LYS NZ :NH3+ 176:sc= -1.14 (180deg=-1.18) USER MOD Single : A 11 LYS NZ :NH3+ 170:sc= 1.13 (180deg=0.998) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= 0.919 K(o=0.92,f=-4.2!) USER MOD Single : A 19 ASN : amide:sc= -1.82! C(o=-1.8!,f=-2.5!) USER MOD Single : A 22 ASN : amide:sc= 0.373 K(o=0.37,f=-4.6!) USER MOD Single : A 26 THR OG1 : rot 91:sc= 1.24 USER MOD Single : A 33 SER OG : rot 3:sc= 0.915 USER MOD Single : A 46 TYR OH : rot 180:sc= -0.239 USER MOD Single : A 47 LYS NZ :NH3+ 174:sc= 0.0864 (180deg=0.0181) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 15.069 -6.202 3.957 1.00 0.00 N ATOM 2 CA ARG A 1 13.725 -6.510 4.467 1.00 0.00 C ATOM 3 C ARG A 1 12.657 -5.702 3.759 1.00 0.00 C ATOM 4 O ARG A 1 12.879 -4.566 3.362 1.00 0.00 O ATOM 5 CB ARG A 1 13.690 -6.321 5.983 1.00 0.00 C ATOM 6 CG ARG A 1 12.340 -6.285 6.673 1.00 0.00 C ATOM 7 CD ARG A 1 12.532 -6.225 8.189 1.00 0.00 C ATOM 8 NE ARG A 1 12.823 -7.565 8.777 1.00 0.00 N ATOM 9 CZ ARG A 1 13.989 -7.957 9.363 1.00 0.00 C ATOM 10 NH1 ARG A 1 15.101 -7.244 9.237 1.00 0.00 N ATOM 11 NH2 ARG A 1 14.036 -9.123 10.024 1.00 0.00 N ATOM 0 H1 ARG A 1 15.781 -6.493 4.657 1.00 0.00 H new ATOM 0 H2 ARG A 1 15.229 -6.716 3.067 1.00 0.00 H new ATOM 0 H3 ARG A 1 15.149 -5.179 3.786 1.00 0.00 H new ATOM 0 HA ARG A 1 13.500 -7.555 4.253 1.00 0.00 H new ATOM 0 HB2 ARG A 1 14.271 -7.127 6.432 1.00 0.00 H new ATOM 0 HB3 ARG A 1 14.206 -5.389 6.214 1.00 0.00 H new ATOM 0 HG2 ARG A 1 11.772 -5.418 6.335 1.00 0.00 H new ATOM 0 HG3 ARG A 1 11.761 -7.169 6.406 1.00 0.00 H new ATOM 0 HD2 ARG A 1 13.350 -5.543 8.423 1.00 0.00 H new ATOM 0 HD3 ARG A 1 11.634 -5.816 8.651 1.00 0.00 H new ATOM 0 HE ARG A 1 12.074 -8.257 8.736 1.00 0.00 H new ATOM 0 HH11 ARG A 1 15.095 -6.382 8.692 1.00 0.00 H new ATOM 0 HH12 ARG A 1 15.962 -7.558 9.685 1.00 0.00 H new ATOM 0 HH21 ARG A 1 13.203 -9.709 10.085 1.00 0.00 H new ATOM 0 HH22 ARG A 1 14.905 -9.424 10.466 1.00 0.00 H new ATOM 27 N MET A 2 11.517 -6.311 3.596 1.00 0.00 N ATOM 28 CA MET A 2 10.366 -5.695 2.970 1.00 0.00 C ATOM 29 C MET A 2 9.454 -5.190 4.040 1.00 0.00 C ATOM 30 O MET A 2 8.845 -5.962 4.766 1.00 0.00 O ATOM 31 CB MET A 2 9.642 -6.703 2.070 1.00 0.00 C ATOM 32 CG MET A 2 10.451 -7.098 0.848 1.00 0.00 C ATOM 33 SD MET A 2 9.767 -8.496 -0.064 1.00 0.00 S ATOM 34 CE MET A 2 8.187 -7.847 -0.600 1.00 0.00 C ATOM 0 H MET A 2 11.351 -7.271 3.899 1.00 0.00 H new ATOM 0 HA MET A 2 10.687 -4.863 2.343 1.00 0.00 H new ATOM 0 HB2 MET A 2 9.410 -7.597 2.649 1.00 0.00 H new ATOM 0 HB3 MET A 2 8.692 -6.276 1.747 1.00 0.00 H new ATOM 0 HG2 MET A 2 10.522 -6.240 0.179 1.00 0.00 H new ATOM 0 HG3 MET A 2 11.466 -7.343 1.161 1.00 0.00 H new ATOM 0 HE1 MET A 2 7.761 -8.505 -1.357 1.00 0.00 H new ATOM 0 HE2 MET A 2 7.510 -7.788 0.252 1.00 0.00 H new ATOM 0 HE3 MET A 2 8.327 -6.852 -1.022 1.00 0.00 H new ATOM 44 N CYS A 3 9.451 -3.915 4.199 1.00 0.00 N ATOM 45 CA CYS A 3 8.591 -3.271 5.143 1.00 0.00 C ATOM 46 C CYS A 3 7.253 -3.024 4.520 1.00 0.00 C ATOM 47 O CYS A 3 7.158 -2.311 3.513 1.00 0.00 O ATOM 48 CB CYS A 3 9.195 -1.957 5.611 1.00 0.00 C ATOM 49 SG CYS A 3 10.406 -2.071 6.936 1.00 0.00 S ATOM 0 H CYS A 3 10.050 -3.277 3.675 1.00 0.00 H new ATOM 0 HA CYS A 3 8.473 -3.923 6.008 1.00 0.00 H new ATOM 0 HB2 CYS A 3 9.666 -1.472 4.756 1.00 0.00 H new ATOM 0 HB3 CYS A 3 8.386 -1.305 5.941 1.00 0.00 H new ATOM 54 N LYS A 4 6.241 -3.626 5.088 1.00 0.00 N ATOM 55 CA LYS A 4 4.907 -3.455 4.615 1.00 0.00 C ATOM 56 C LYS A 4 4.241 -2.390 5.483 1.00 0.00 C ATOM 57 O LYS A 4 4.009 -2.594 6.667 1.00 0.00 O ATOM 58 CB LYS A 4 4.158 -4.794 4.688 1.00 0.00 C ATOM 59 CG LYS A 4 2.851 -4.802 3.925 1.00 0.00 C ATOM 60 CD LYS A 4 2.177 -6.171 3.912 1.00 0.00 C ATOM 61 CE LYS A 4 1.657 -6.599 5.280 1.00 0.00 C ATOM 62 NZ LYS A 4 1.018 -7.944 5.240 1.00 0.00 N ATOM 0 H LYS A 4 6.327 -4.248 5.892 1.00 0.00 H new ATOM 0 HA LYS A 4 4.894 -3.132 3.574 1.00 0.00 H new ATOM 0 HB2 LYS A 4 4.802 -5.582 4.297 1.00 0.00 H new ATOM 0 HB3 LYS A 4 3.960 -5.033 5.733 1.00 0.00 H new ATOM 0 HG2 LYS A 4 2.173 -4.073 4.369 1.00 0.00 H new ATOM 0 HG3 LYS A 4 3.034 -4.483 2.899 1.00 0.00 H new ATOM 0 HD2 LYS A 4 1.348 -6.154 3.205 1.00 0.00 H new ATOM 0 HD3 LYS A 4 2.888 -6.915 3.552 1.00 0.00 H new ATOM 0 HE2 LYS A 4 2.481 -6.611 5.993 1.00 0.00 H new ATOM 0 HE3 LYS A 4 0.935 -5.865 5.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 0.408 -8.063 6.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 0.445 -8.031 4.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 1.754 -8.678 5.242 1.00 0.00 H new ATOM 76 N THR A 5 3.997 -1.267 4.897 1.00 0.00 N ATOM 77 CA THR A 5 3.446 -0.118 5.557 1.00 0.00 C ATOM 78 C THR A 5 2.018 0.156 5.050 1.00 0.00 C ATOM 79 O THR A 5 1.783 0.126 3.865 1.00 0.00 O ATOM 80 CB THR A 5 4.377 1.071 5.245 1.00 0.00 C ATOM 81 OG1 THR A 5 5.696 0.783 5.764 1.00 0.00 O ATOM 82 CG2 THR A 5 3.860 2.377 5.810 1.00 0.00 C ATOM 0 H THR A 5 4.181 -1.112 3.906 1.00 0.00 H new ATOM 0 HA THR A 5 3.380 -0.279 6.633 1.00 0.00 H new ATOM 0 HB THR A 5 4.416 1.196 4.163 1.00 0.00 H new ATOM 0 HG1 THR A 5 5.881 1.366 6.529 1.00 0.00 H new ATOM 0 HG21 THR A 5 4.553 3.181 5.561 1.00 0.00 H new ATOM 0 HG22 THR A 5 2.882 2.596 5.382 1.00 0.00 H new ATOM 0 HG23 THR A 5 3.772 2.295 6.893 1.00 0.00 H new ATOM 90 N PRO A 6 1.043 0.365 5.942 1.00 0.00 N ATOM 91 CA PRO A 6 -0.328 0.660 5.535 1.00 0.00 C ATOM 92 C PRO A 6 -0.448 2.013 4.833 1.00 0.00 C ATOM 93 O PRO A 6 -0.012 3.028 5.356 1.00 0.00 O ATOM 94 CB PRO A 6 -1.118 0.660 6.846 1.00 0.00 C ATOM 95 CG PRO A 6 -0.106 0.870 7.923 1.00 0.00 C ATOM 96 CD PRO A 6 1.197 0.324 7.408 1.00 0.00 C ATOM 0 HA PRO A 6 -0.696 -0.069 4.813 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -1.867 1.451 6.852 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -1.648 -0.282 6.984 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -0.013 1.929 8.165 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -0.404 0.359 8.839 1.00 0.00 H new ATOM 0 HD2 PRO A 6 2.042 0.928 7.738 1.00 0.00 H new ATOM 0 HD3 PRO A 6 1.373 -0.691 7.763 1.00 0.00 H new ATOM 104 N SER A 7 -1.029 1.987 3.647 1.00 0.00 N ATOM 105 CA SER A 7 -1.243 3.184 2.837 1.00 0.00 C ATOM 106 C SER A 7 -2.183 4.173 3.534 1.00 0.00 C ATOM 107 O SER A 7 -3.190 3.753 4.189 1.00 0.00 O ATOM 108 CB SER A 7 -1.820 2.762 1.498 1.00 0.00 C ATOM 109 OG SER A 7 -2.919 1.841 1.697 1.00 0.00 O ATOM 0 H SER A 7 -1.370 1.130 3.211 1.00 0.00 H new ATOM 0 HA SER A 7 -0.290 3.692 2.694 1.00 0.00 H new ATOM 0 HB2 SER A 7 -2.165 3.639 0.950 1.00 0.00 H new ATOM 0 HB3 SER A 7 -1.046 2.291 0.892 1.00 0.00 H new ATOM 0 HG SER A 7 -2.570 0.930 1.792 1.00 0.00 H new ATOM 115 N GLY A 8 -1.891 5.439 3.389 1.00 0.00 N ATOM 116 CA GLY A 8 -2.654 6.455 4.040 1.00 0.00 C ATOM 117 C GLY A 8 -3.684 7.135 3.148 1.00 0.00 C ATOM 118 O GLY A 8 -4.785 7.501 3.618 1.00 0.00 O ATOM 0 H GLY A 8 -1.121 5.787 2.818 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -3.166 6.016 4.896 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -1.972 7.211 4.430 1.00 0.00 H new ATOM 122 N LYS A 9 -3.410 7.281 1.860 1.00 0.00 N ATOM 123 CA LYS A 9 -4.314 8.044 1.026 1.00 0.00 C ATOM 124 C LYS A 9 -5.003 7.171 0.056 1.00 0.00 C ATOM 125 O LYS A 9 -5.818 7.604 -0.741 1.00 0.00 O ATOM 126 CB LYS A 9 -3.628 9.260 0.424 1.00 0.00 C ATOM 127 CG LYS A 9 -2.307 8.969 -0.155 1.00 0.00 C ATOM 128 CD LYS A 9 -2.425 8.445 -1.523 1.00 0.00 C ATOM 129 CE LYS A 9 -1.918 9.417 -2.529 1.00 0.00 C ATOM 130 NZ LYS A 9 -0.469 9.687 -2.316 1.00 0.00 N ATOM 0 H LYS A 9 -2.595 6.893 1.385 1.00 0.00 H new ATOM 0 HA LYS A 9 -5.107 8.460 1.647 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -4.269 9.681 -0.350 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -3.517 10.022 1.195 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.703 9.876 -0.162 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -1.786 8.244 0.470 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -1.867 7.512 -1.605 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -3.469 8.212 -1.735 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -2.076 9.024 -3.533 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -2.481 10.348 -2.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -0.119 10.314 -3.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -0.333 10.145 -1.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 0.058 8.791 -2.339 1.00 0.00 H new ATOM 144 N PHE A 10 -4.642 5.950 0.130 1.00 0.00 N ATOM 145 CA PHE A 10 -5.327 4.908 -0.554 1.00 0.00 C ATOM 146 C PHE A 10 -6.619 4.615 0.163 1.00 0.00 C ATOM 147 O PHE A 10 -6.641 4.405 1.395 1.00 0.00 O ATOM 148 CB PHE A 10 -4.535 3.629 -0.557 1.00 0.00 C ATOM 149 CG PHE A 10 -5.031 2.651 -1.569 1.00 0.00 C ATOM 150 CD1 PHE A 10 -6.055 1.751 -1.303 1.00 0.00 C ATOM 151 CD2 PHE A 10 -4.464 2.655 -2.786 1.00 0.00 C ATOM 152 CE1 PHE A 10 -6.483 0.873 -2.277 1.00 0.00 C ATOM 153 CE2 PHE A 10 -4.869 1.786 -3.780 1.00 0.00 C ATOM 154 CZ PHE A 10 -5.885 0.891 -3.522 1.00 0.00 C ATOM 0 H PHE A 10 -3.844 5.631 0.679 1.00 0.00 H new ATOM 0 HA PHE A 10 -5.488 5.243 -1.579 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -3.488 3.855 -0.758 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -4.579 3.176 0.433 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -6.519 1.739 -0.328 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -3.670 3.357 -2.993 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -7.281 0.176 -2.067 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -4.394 1.807 -4.750 1.00 0.00 H new ATOM 0 HZ PHE A 10 -6.212 0.206 -4.290 1.00 0.00 H new ATOM 164 N LYS A 11 -7.656 4.596 -0.584 1.00 0.00 N ATOM 165 CA LYS A 11 -8.963 4.213 -0.115 1.00 0.00 C ATOM 166 C LYS A 11 -9.800 3.701 -1.262 1.00 0.00 C ATOM 167 O LYS A 11 -10.260 4.462 -2.098 1.00 0.00 O ATOM 168 CB LYS A 11 -9.706 5.297 0.734 1.00 0.00 C ATOM 169 CG LYS A 11 -9.522 6.764 0.311 1.00 0.00 C ATOM 170 CD LYS A 11 -8.344 7.445 1.021 1.00 0.00 C ATOM 171 CE LYS A 11 -8.519 7.506 2.539 1.00 0.00 C ATOM 172 NZ LYS A 11 -7.377 8.196 3.206 1.00 0.00 N ATOM 0 H LYS A 11 -7.635 4.851 -1.571 1.00 0.00 H new ATOM 0 HA LYS A 11 -8.803 3.402 0.596 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -10.772 5.070 0.714 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -9.378 5.200 1.769 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -9.366 6.810 -0.767 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -10.437 7.316 0.524 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -7.425 6.907 0.788 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -8.228 8.457 0.633 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -9.446 8.028 2.776 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -8.612 6.494 2.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -7.610 8.367 4.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -6.528 7.599 3.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -7.196 9.104 2.733 1.00 0.00 H new ATOM 186 N GLY A 12 -9.922 2.399 -1.323 1.00 0.00 N ATOM 187 CA GLY A 12 -10.656 1.750 -2.359 1.00 0.00 C ATOM 188 C GLY A 12 -10.264 0.301 -2.406 1.00 0.00 C ATOM 189 O GLY A 12 -9.495 -0.156 -1.547 1.00 0.00 O ATOM 0 H GLY A 12 -9.507 1.761 -0.644 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -11.727 1.844 -2.177 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -10.453 2.226 -3.318 1.00 0.00 H new ATOM 193 N TYR A 13 -10.755 -0.421 -3.379 1.00 0.00 N ATOM 194 CA TYR A 13 -10.446 -1.816 -3.507 1.00 0.00 C ATOM 195 C TYR A 13 -9.097 -2.035 -4.147 1.00 0.00 C ATOM 196 O TYR A 13 -8.902 -1.769 -5.328 1.00 0.00 O ATOM 197 CB TYR A 13 -11.526 -2.543 -4.292 1.00 0.00 C ATOM 198 CG TYR A 13 -12.296 -3.507 -3.450 1.00 0.00 C ATOM 199 CD1 TYR A 13 -11.799 -4.771 -3.211 1.00 0.00 C ATOM 200 CD2 TYR A 13 -13.508 -3.156 -2.879 1.00 0.00 C ATOM 201 CE1 TYR A 13 -12.477 -5.666 -2.432 1.00 0.00 C ATOM 202 CE2 TYR A 13 -14.203 -4.048 -2.093 1.00 0.00 C ATOM 203 CZ TYR A 13 -13.682 -5.307 -1.872 1.00 0.00 C ATOM 204 OH TYR A 13 -14.357 -6.204 -1.088 1.00 0.00 O ATOM 0 H TYR A 13 -11.378 -0.058 -4.101 1.00 0.00 H new ATOM 0 HA TYR A 13 -10.408 -2.229 -2.499 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -12.212 -1.813 -4.722 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -11.068 -3.078 -5.124 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -10.855 -5.059 -3.648 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -13.913 -2.170 -3.052 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -12.069 -6.651 -2.257 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -15.148 -3.765 -1.653 1.00 0.00 H new ATOM 0 HH TYR A 13 -15.189 -5.797 -0.768 1.00 0.00 H new ATOM 214 N CYS A 14 -8.164 -2.521 -3.371 1.00 0.00 N ATOM 215 CA CYS A 14 -6.845 -2.820 -3.881 1.00 0.00 C ATOM 216 C CYS A 14 -6.871 -4.193 -4.561 1.00 0.00 C ATOM 217 O CYS A 14 -6.454 -5.191 -3.996 1.00 0.00 O ATOM 218 CB CYS A 14 -5.806 -2.806 -2.746 1.00 0.00 C ATOM 219 SG CYS A 14 -4.067 -2.650 -3.277 1.00 0.00 S ATOM 0 H CYS A 14 -8.291 -2.720 -2.379 1.00 0.00 H new ATOM 0 HA CYS A 14 -6.560 -2.058 -4.606 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -6.038 -1.980 -2.074 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -5.911 -3.725 -2.169 1.00 0.00 H new ATOM 224 N VAL A 15 -7.508 -4.259 -5.685 1.00 0.00 N ATOM 225 CA VAL A 15 -7.521 -5.471 -6.479 1.00 0.00 C ATOM 226 C VAL A 15 -6.109 -5.770 -6.992 1.00 0.00 C ATOM 227 O VAL A 15 -5.497 -6.785 -6.630 1.00 0.00 O ATOM 228 CB VAL A 15 -8.497 -5.340 -7.683 1.00 0.00 C ATOM 229 CG1 VAL A 15 -8.481 -6.595 -8.554 1.00 0.00 C ATOM 230 CG2 VAL A 15 -9.910 -5.046 -7.200 1.00 0.00 C ATOM 0 H VAL A 15 -8.036 -3.485 -6.088 1.00 0.00 H new ATOM 0 HA VAL A 15 -7.863 -6.290 -5.846 1.00 0.00 H new ATOM 0 HB VAL A 15 -8.156 -4.504 -8.294 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -9.174 -6.469 -9.386 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -7.475 -6.756 -8.941 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -8.783 -7.456 -7.957 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -10.577 -4.958 -8.058 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -10.251 -5.857 -6.557 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -9.916 -4.112 -6.639 1.00 0.00 H new ATOM 240 N ASN A 16 -5.593 -4.841 -7.746 1.00 0.00 N ATOM 241 CA ASN A 16 -4.321 -4.971 -8.418 1.00 0.00 C ATOM 242 C ASN A 16 -3.229 -4.228 -7.663 1.00 0.00 C ATOM 243 O ASN A 16 -3.438 -3.143 -7.138 1.00 0.00 O ATOM 244 CB ASN A 16 -4.500 -4.474 -9.875 1.00 0.00 C ATOM 245 CG ASN A 16 -3.230 -4.259 -10.693 1.00 0.00 C ATOM 246 OD1 ASN A 16 -2.176 -4.853 -10.461 1.00 0.00 O ATOM 247 ND2 ASN A 16 -3.342 -3.417 -11.688 1.00 0.00 N ATOM 0 H ASN A 16 -6.054 -3.947 -7.918 1.00 0.00 H new ATOM 0 HA ASN A 16 -3.999 -6.012 -8.443 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -5.126 -5.193 -10.404 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -5.049 -3.533 -9.847 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -2.543 -3.238 -12.297 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -4.228 -2.940 -11.855 1.00 0.00 H new ATOM 254 N ASN A 17 -2.068 -4.825 -7.614 1.00 0.00 N ATOM 255 CA ASN A 17 -0.930 -4.267 -6.895 1.00 0.00 C ATOM 256 C ASN A 17 -0.468 -2.963 -7.513 1.00 0.00 C ATOM 257 O ASN A 17 0.043 -2.108 -6.832 1.00 0.00 O ATOM 258 CB ASN A 17 0.231 -5.269 -6.858 1.00 0.00 C ATOM 259 CG ASN A 17 -0.082 -6.517 -6.048 1.00 0.00 C ATOM 260 OD1 ASN A 17 -0.822 -6.473 -5.071 1.00 0.00 O ATOM 261 ND2 ASN A 17 0.460 -7.638 -6.452 1.00 0.00 N ATOM 0 H ASN A 17 -1.874 -5.716 -8.070 1.00 0.00 H new ATOM 0 HA ASN A 17 -1.256 -4.063 -5.875 1.00 0.00 H new ATOM 0 HB2 ASN A 17 0.485 -5.559 -7.878 1.00 0.00 H new ATOM 0 HB3 ASN A 17 1.110 -4.781 -6.437 1.00 0.00 H new ATOM 0 HD21 ASN A 17 0.271 -8.506 -5.951 1.00 0.00 H new ATOM 0 HD22 ASN A 17 1.072 -7.644 -7.268 1.00 0.00 H new ATOM 268 N THR A 18 -0.693 -2.815 -8.801 1.00 0.00 N ATOM 269 CA THR A 18 -0.273 -1.640 -9.556 1.00 0.00 C ATOM 270 C THR A 18 -0.988 -0.324 -9.069 1.00 0.00 C ATOM 271 O THR A 18 -0.368 0.738 -9.041 1.00 0.00 O ATOM 272 CB THR A 18 -0.545 -1.876 -11.050 1.00 0.00 C ATOM 273 OG1 THR A 18 -0.008 -3.165 -11.411 1.00 0.00 O ATOM 274 CG2 THR A 18 0.120 -0.802 -11.908 1.00 0.00 C ATOM 0 H THR A 18 -1.178 -3.512 -9.366 1.00 0.00 H new ATOM 0 HA THR A 18 0.794 -1.496 -9.387 1.00 0.00 H new ATOM 0 HB THR A 18 -1.620 -1.836 -11.225 1.00 0.00 H new ATOM 0 HG1 THR A 18 -0.672 -3.861 -11.221 1.00 0.00 H new ATOM 0 HG21 THR A 18 -0.090 -0.995 -12.960 1.00 0.00 H new ATOM 0 HG22 THR A 18 -0.272 0.177 -11.634 1.00 0.00 H new ATOM 0 HG23 THR A 18 1.197 -0.820 -11.744 1.00 0.00 H new ATOM 282 N ASN A 19 -2.268 -0.397 -8.648 1.00 0.00 N ATOM 283 CA ASN A 19 -2.955 0.799 -8.156 1.00 0.00 C ATOM 284 C ASN A 19 -2.415 1.176 -6.815 1.00 0.00 C ATOM 285 O ASN A 19 -2.166 2.349 -6.548 1.00 0.00 O ATOM 286 CB ASN A 19 -4.501 0.670 -8.105 1.00 0.00 C ATOM 287 CG ASN A 19 -5.027 -0.639 -7.592 1.00 0.00 C ATOM 288 OD1 ASN A 19 -5.279 -1.557 -8.366 1.00 0.00 O ATOM 289 ND2 ASN A 19 -5.203 -0.748 -6.308 1.00 0.00 N ATOM 0 H ASN A 19 -2.828 -1.250 -8.641 1.00 0.00 H new ATOM 0 HA ASN A 19 -2.753 1.588 -8.880 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -4.894 1.470 -7.477 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -4.894 0.831 -9.109 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -5.561 -1.618 -5.914 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -4.983 0.037 -5.695 1.00 0.00 H new ATOM 296 N CYS A 20 -2.181 0.168 -6.003 1.00 0.00 N ATOM 297 CA CYS A 20 -1.596 0.332 -4.680 1.00 0.00 C ATOM 298 C CYS A 20 -0.272 0.954 -4.843 1.00 0.00 C ATOM 299 O CYS A 20 0.081 1.914 -4.173 1.00 0.00 O ATOM 300 CB CYS A 20 -1.342 -1.020 -4.092 1.00 0.00 C ATOM 301 SG CYS A 20 -0.906 -1.024 -2.336 1.00 0.00 S ATOM 0 H CYS A 20 -2.392 -0.801 -6.241 1.00 0.00 H new ATOM 0 HA CYS A 20 -2.263 0.925 -4.054 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -2.233 -1.632 -4.231 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -0.537 -1.497 -4.651 1.00 0.00 H new ATOM 306 N LYS A 21 0.433 0.395 -5.801 1.00 0.00 N ATOM 307 CA LYS A 21 1.748 0.732 -6.121 1.00 0.00 C ATOM 308 C LYS A 21 1.824 2.212 -6.359 1.00 0.00 C ATOM 309 O LYS A 21 2.544 2.897 -5.691 1.00 0.00 O ATOM 310 CB LYS A 21 2.132 0.029 -7.394 1.00 0.00 C ATOM 311 CG LYS A 21 3.521 -0.491 -7.510 1.00 0.00 C ATOM 312 CD LYS A 21 3.612 -1.259 -8.815 1.00 0.00 C ATOM 313 CE LYS A 21 5.008 -1.693 -9.128 1.00 0.00 C ATOM 314 NZ LYS A 21 5.565 -2.640 -8.125 1.00 0.00 N ATOM 0 H LYS A 21 0.057 -0.345 -6.394 1.00 0.00 H new ATOM 0 HA LYS A 21 2.415 0.442 -5.309 1.00 0.00 H new ATOM 0 HB2 LYS A 21 1.449 -0.809 -7.533 1.00 0.00 H new ATOM 0 HB3 LYS A 21 1.963 0.719 -8.221 1.00 0.00 H new ATOM 0 HG2 LYS A 21 4.240 0.328 -7.496 1.00 0.00 H new ATOM 0 HG3 LYS A 21 3.760 -1.139 -6.666 1.00 0.00 H new ATOM 0 HD2 LYS A 21 2.966 -2.135 -8.763 1.00 0.00 H new ATOM 0 HD3 LYS A 21 3.238 -0.635 -9.627 1.00 0.00 H new ATOM 0 HE2 LYS A 21 5.024 -2.164 -10.111 1.00 0.00 H new ATOM 0 HE3 LYS A 21 5.651 -0.815 -9.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 6.442 -3.060 -8.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 5.769 -2.130 -7.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 4.873 -3.393 -7.937 1.00 0.00 H new ATOM 328 N ASN A 22 0.985 2.693 -7.274 1.00 0.00 N ATOM 329 CA ASN A 22 0.982 4.094 -7.683 1.00 0.00 C ATOM 330 C ASN A 22 0.643 4.992 -6.537 1.00 0.00 C ATOM 331 O ASN A 22 1.307 6.012 -6.324 1.00 0.00 O ATOM 332 CB ASN A 22 0.021 4.349 -8.850 1.00 0.00 C ATOM 333 CG ASN A 22 0.457 3.650 -10.127 1.00 0.00 C ATOM 334 OD1 ASN A 22 1.651 3.410 -10.347 1.00 0.00 O ATOM 335 ND2 ASN A 22 -0.485 3.331 -10.981 1.00 0.00 N ATOM 0 H ASN A 22 0.288 2.122 -7.752 1.00 0.00 H new ATOM 0 HA ASN A 22 1.992 4.323 -8.022 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -0.977 4.008 -8.576 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -0.048 5.421 -9.032 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -0.243 2.870 -11.858 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -1.460 3.543 -10.768 1.00 0.00 H new ATOM 342 N VAL A 23 -0.352 4.602 -5.774 1.00 0.00 N ATOM 343 CA VAL A 23 -0.769 5.369 -4.628 1.00 0.00 C ATOM 344 C VAL A 23 0.372 5.487 -3.615 1.00 0.00 C ATOM 345 O VAL A 23 0.703 6.604 -3.175 1.00 0.00 O ATOM 346 CB VAL A 23 -2.030 4.772 -3.975 1.00 0.00 C ATOM 347 CG1 VAL A 23 -2.381 5.522 -2.723 1.00 0.00 C ATOM 348 CG2 VAL A 23 -3.195 4.828 -4.942 1.00 0.00 C ATOM 0 H VAL A 23 -0.890 3.750 -5.930 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.026 6.370 -4.973 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.823 3.733 -3.719 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -3.274 5.086 -2.276 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -1.553 5.458 -2.016 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -2.571 6.567 -2.966 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -4.081 4.403 -4.470 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -3.391 5.865 -5.215 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.952 4.256 -5.838 1.00 0.00 H new ATOM 358 N CYS A 24 0.990 4.360 -3.310 1.00 0.00 N ATOM 359 CA CYS A 24 2.133 4.281 -2.413 1.00 0.00 C ATOM 360 C CYS A 24 3.325 5.051 -2.967 1.00 0.00 C ATOM 361 O CYS A 24 4.016 5.742 -2.235 1.00 0.00 O ATOM 362 CB CYS A 24 2.490 2.818 -2.145 1.00 0.00 C ATOM 363 SG CYS A 24 1.257 1.957 -1.147 1.00 0.00 S ATOM 0 H CYS A 24 0.707 3.455 -3.686 1.00 0.00 H new ATOM 0 HA CYS A 24 1.862 4.748 -1.466 1.00 0.00 H new ATOM 0 HB2 CYS A 24 2.605 2.299 -3.096 1.00 0.00 H new ATOM 0 HB3 CYS A 24 3.454 2.773 -1.638 1.00 0.00 H new ATOM 368 N ARG A 25 3.523 4.981 -4.268 1.00 0.00 N ATOM 369 CA ARG A 25 4.594 5.722 -4.924 1.00 0.00 C ATOM 370 C ARG A 25 4.353 7.221 -4.791 1.00 0.00 C ATOM 371 O ARG A 25 5.275 7.998 -4.663 1.00 0.00 O ATOM 372 CB ARG A 25 4.731 5.278 -6.385 1.00 0.00 C ATOM 373 CG ARG A 25 5.169 3.820 -6.494 1.00 0.00 C ATOM 374 CD ARG A 25 4.921 3.239 -7.871 1.00 0.00 C ATOM 375 NE ARG A 25 5.856 3.728 -8.865 1.00 0.00 N ATOM 376 CZ ARG A 25 5.594 3.956 -10.170 1.00 0.00 C ATOM 377 NH1 ARG A 25 4.355 3.809 -10.658 1.00 0.00 N ATOM 378 NH2 ARG A 25 6.584 4.346 -10.983 1.00 0.00 N ATOM 0 H ARG A 25 2.955 4.416 -4.900 1.00 0.00 H new ATOM 0 HA ARG A 25 5.542 5.503 -4.433 1.00 0.00 H new ATOM 0 HB2 ARG A 25 3.778 5.411 -6.896 1.00 0.00 H new ATOM 0 HB3 ARG A 25 5.456 5.915 -6.892 1.00 0.00 H new ATOM 0 HG2 ARG A 25 6.230 3.745 -6.258 1.00 0.00 H new ATOM 0 HG3 ARG A 25 4.634 3.227 -5.752 1.00 0.00 H new ATOM 0 HD2 ARG A 25 4.989 2.152 -7.819 1.00 0.00 H new ATOM 0 HD3 ARG A 25 3.905 3.481 -8.185 1.00 0.00 H new ATOM 0 HE ARG A 25 6.806 3.919 -8.547 1.00 0.00 H new ATOM 0 HH11 ARG A 25 3.595 3.521 -10.042 1.00 0.00 H new ATOM 0 HH12 ARG A 25 4.172 3.985 -11.646 1.00 0.00 H new ATOM 0 HH21 ARG A 25 7.527 4.469 -10.615 1.00 0.00 H new ATOM 0 HH22 ARG A 25 6.395 4.520 -11.970 1.00 0.00 H new ATOM 392 N THR A 26 3.085 7.596 -4.751 1.00 0.00 N ATOM 393 CA THR A 26 2.698 8.978 -4.567 1.00 0.00 C ATOM 394 C THR A 26 2.650 9.340 -3.032 1.00 0.00 C ATOM 395 O THR A 26 2.416 10.486 -2.658 1.00 0.00 O ATOM 396 CB THR A 26 1.315 9.235 -5.232 1.00 0.00 C ATOM 397 OG1 THR A 26 1.305 8.678 -6.548 1.00 0.00 O ATOM 398 CG2 THR A 26 1.019 10.729 -5.356 1.00 0.00 C ATOM 0 H THR A 26 2.300 6.951 -4.845 1.00 0.00 H new ATOM 0 HA THR A 26 3.441 9.617 -5.044 1.00 0.00 H new ATOM 0 HB THR A 26 0.558 8.770 -4.600 1.00 0.00 H new ATOM 0 HG1 THR A 26 0.976 7.756 -6.510 1.00 0.00 H new ATOM 0 HG21 THR A 26 0.045 10.869 -5.825 1.00 0.00 H new ATOM 0 HG22 THR A 26 1.013 11.182 -4.365 1.00 0.00 H new ATOM 0 HG23 THR A 26 1.787 11.203 -5.967 1.00 0.00 H new ATOM 406 N GLU A 27 2.740 8.332 -2.161 1.00 0.00 N ATOM 407 CA GLU A 27 2.859 8.569 -0.711 1.00 0.00 C ATOM 408 C GLU A 27 4.328 8.723 -0.320 1.00 0.00 C ATOM 409 O GLU A 27 4.655 9.428 0.621 1.00 0.00 O ATOM 410 CB GLU A 27 2.169 7.460 0.131 1.00 0.00 C ATOM 411 CG GLU A 27 0.669 7.416 -0.068 1.00 0.00 C ATOM 412 CD GLU A 27 -0.111 6.458 0.848 1.00 0.00 C ATOM 413 OE1 GLU A 27 0.371 6.111 1.908 1.00 0.00 O ATOM 414 OE2 GLU A 27 -1.291 6.139 0.517 1.00 0.00 O ATOM 0 H GLU A 27 2.733 7.347 -2.427 1.00 0.00 H new ATOM 0 HA GLU A 27 2.335 9.498 -0.488 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.594 6.492 -0.134 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.386 7.625 1.186 1.00 0.00 H new ATOM 0 HG2 GLU A 27 0.275 8.422 0.074 1.00 0.00 H new ATOM 0 HG3 GLU A 27 0.469 7.139 -1.103 1.00 0.00 H new ATOM 421 N GLY A 28 5.194 8.079 -1.076 1.00 0.00 N ATOM 422 CA GLY A 28 6.622 8.171 -0.828 1.00 0.00 C ATOM 423 C GLY A 28 7.251 6.808 -0.677 1.00 0.00 C ATOM 424 O GLY A 28 8.196 6.622 0.087 1.00 0.00 O ATOM 0 H GLY A 28 4.937 7.487 -1.866 1.00 0.00 H new ATOM 0 HA2 GLY A 28 7.101 8.704 -1.650 1.00 0.00 H new ATOM 0 HA3 GLY A 28 6.798 8.755 0.075 1.00 0.00 H new ATOM 428 N PHE A 29 6.723 5.850 -1.396 1.00 0.00 N ATOM 429 CA PHE A 29 7.195 4.495 -1.329 1.00 0.00 C ATOM 430 C PHE A 29 7.590 4.024 -2.702 1.00 0.00 C ATOM 431 O PHE A 29 6.999 4.441 -3.687 1.00 0.00 O ATOM 432 CB PHE A 29 6.101 3.578 -0.784 1.00 0.00 C ATOM 433 CG PHE A 29 5.666 3.912 0.600 1.00 0.00 C ATOM 434 CD1 PHE A 29 6.261 3.307 1.680 1.00 0.00 C ATOM 435 CD2 PHE A 29 4.653 4.826 0.815 1.00 0.00 C ATOM 436 CE1 PHE A 29 5.863 3.603 2.959 1.00 0.00 C ATOM 437 CE2 PHE A 29 4.236 5.139 2.081 1.00 0.00 C ATOM 438 CZ PHE A 29 4.842 4.527 3.166 1.00 0.00 C ATOM 0 H PHE A 29 5.950 5.991 -2.047 1.00 0.00 H new ATOM 0 HA PHE A 29 8.058 4.462 -0.664 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.237 3.626 -1.447 1.00 0.00 H new ATOM 0 HB3 PHE A 29 6.461 2.549 -0.803 1.00 0.00 H new ATOM 0 HD1 PHE A 29 7.052 2.589 1.520 1.00 0.00 H new ATOM 0 HD2 PHE A 29 4.181 5.303 -0.031 1.00 0.00 H new ATOM 0 HE1 PHE A 29 6.339 3.122 3.801 1.00 0.00 H new ATOM 0 HE2 PHE A 29 3.443 5.856 2.232 1.00 0.00 H new ATOM 0 HZ PHE A 29 4.523 4.766 4.170 1.00 0.00 H new ATOM 448 N PRO A 30 8.598 3.153 -2.794 1.00 0.00 N ATOM 449 CA PRO A 30 9.043 2.600 -4.072 1.00 0.00 C ATOM 450 C PRO A 30 7.959 1.752 -4.747 1.00 0.00 C ATOM 451 O PRO A 30 7.864 1.700 -5.985 1.00 0.00 O ATOM 452 CB PRO A 30 10.238 1.707 -3.696 1.00 0.00 C ATOM 453 CG PRO A 30 10.138 1.496 -2.225 1.00 0.00 C ATOM 454 CD PRO A 30 9.420 2.682 -1.666 1.00 0.00 C ATOM 0 HA PRO A 30 9.289 3.390 -4.782 1.00 0.00 H new ATOM 0 HB2 PRO A 30 10.201 0.758 -4.231 1.00 0.00 H new ATOM 0 HB3 PRO A 30 11.182 2.185 -3.960 1.00 0.00 H new ATOM 0 HG2 PRO A 30 9.597 0.576 -2.002 1.00 0.00 H new ATOM 0 HG3 PRO A 30 11.128 1.399 -1.780 1.00 0.00 H new ATOM 0 HD2 PRO A 30 8.805 2.411 -0.808 1.00 0.00 H new ATOM 0 HD3 PRO A 30 10.116 3.450 -1.329 1.00 0.00 H new ATOM 462 N THR A 31 7.133 1.093 -3.950 1.00 0.00 N ATOM 463 CA THR A 31 6.154 0.222 -4.489 1.00 0.00 C ATOM 464 C THR A 31 5.039 -0.005 -3.471 1.00 0.00 C ATOM 465 O THR A 31 5.146 0.408 -2.314 1.00 0.00 O ATOM 466 CB THR A 31 6.829 -1.128 -4.938 1.00 0.00 C ATOM 467 OG1 THR A 31 5.868 -2.081 -5.470 1.00 0.00 O ATOM 468 CG2 THR A 31 7.626 -1.756 -3.793 1.00 0.00 C ATOM 0 H THR A 31 7.137 1.158 -2.932 1.00 0.00 H new ATOM 0 HA THR A 31 5.703 0.675 -5.372 1.00 0.00 H new ATOM 0 HB THR A 31 7.516 -0.876 -5.745 1.00 0.00 H new ATOM 0 HG1 THR A 31 6.323 -2.924 -5.677 1.00 0.00 H new ATOM 0 HG21 THR A 31 8.080 -2.687 -4.133 1.00 0.00 H new ATOM 0 HG22 THR A 31 8.407 -1.067 -3.473 1.00 0.00 H new ATOM 0 HG23 THR A 31 6.959 -1.963 -2.956 1.00 0.00 H new ATOM 476 N GLY A 32 3.998 -0.648 -3.910 1.00 0.00 N ATOM 477 CA GLY A 32 2.880 -0.939 -3.105 1.00 0.00 C ATOM 478 C GLY A 32 2.289 -2.201 -3.607 1.00 0.00 C ATOM 479 O GLY A 32 2.536 -2.573 -4.776 1.00 0.00 O ATOM 0 H GLY A 32 3.914 -0.988 -4.868 1.00 0.00 H new ATOM 0 HA2 GLY A 32 3.175 -1.042 -2.061 1.00 0.00 H new ATOM 0 HA3 GLY A 32 2.152 -0.129 -3.152 1.00 0.00 H new ATOM 483 N SER A 33 1.580 -2.869 -2.777 1.00 0.00 N ATOM 484 CA SER A 33 0.975 -4.140 -3.074 1.00 0.00 C ATOM 485 C SER A 33 -0.219 -4.395 -2.133 1.00 0.00 C ATOM 486 O SER A 33 -0.293 -3.824 -1.049 1.00 0.00 O ATOM 487 CB SER A 33 2.044 -5.232 -2.992 1.00 0.00 C ATOM 488 OG SER A 33 2.949 -5.141 -4.091 1.00 0.00 O ATOM 0 H SER A 33 1.389 -2.544 -1.829 1.00 0.00 H new ATOM 0 HA SER A 33 0.574 -4.145 -4.088 1.00 0.00 H new ATOM 0 HB2 SER A 33 2.593 -5.140 -2.055 1.00 0.00 H new ATOM 0 HB3 SER A 33 1.568 -6.213 -2.987 1.00 0.00 H new ATOM 0 HG SER A 33 2.721 -4.361 -4.639 1.00 0.00 H new ATOM 494 N CYS A 34 -1.126 -5.230 -2.548 1.00 0.00 N ATOM 495 CA CYS A 34 -2.369 -5.414 -1.850 1.00 0.00 C ATOM 496 C CYS A 34 -2.287 -6.573 -0.879 1.00 0.00 C ATOM 497 O CYS A 34 -1.729 -7.628 -1.194 1.00 0.00 O ATOM 498 CB CYS A 34 -3.483 -5.646 -2.849 1.00 0.00 C ATOM 499 SG CYS A 34 -3.565 -4.400 -4.185 1.00 0.00 S ATOM 0 H CYS A 34 -1.026 -5.806 -3.384 1.00 0.00 H new ATOM 0 HA CYS A 34 -2.578 -4.512 -1.275 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -3.356 -6.632 -3.295 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -4.435 -5.656 -2.318 1.00 0.00 H new ATOM 504 N ASP A 35 -2.868 -6.375 0.268 1.00 0.00 N ATOM 505 CA ASP A 35 -2.838 -7.317 1.360 1.00 0.00 C ATOM 506 C ASP A 35 -4.253 -7.519 1.895 1.00 0.00 C ATOM 507 O ASP A 35 -5.164 -6.707 1.608 1.00 0.00 O ATOM 508 CB ASP A 35 -1.928 -6.723 2.423 1.00 0.00 C ATOM 509 CG ASP A 35 -1.817 -7.502 3.719 1.00 0.00 C ATOM 510 OD1 ASP A 35 -1.028 -8.456 3.774 1.00 0.00 O ATOM 511 OD2 ASP A 35 -2.450 -7.104 4.724 1.00 0.00 O ATOM 0 H ASP A 35 -3.394 -5.527 0.481 1.00 0.00 H new ATOM 0 HA ASP A 35 -2.464 -8.292 1.047 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -0.929 -6.618 1.999 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.283 -5.719 2.656 1.00 0.00 H new ATOM 516 N PHE A 36 -4.457 -8.573 2.635 1.00 0.00 N ATOM 517 CA PHE A 36 -5.735 -8.887 3.188 1.00 0.00 C ATOM 518 C PHE A 36 -5.659 -8.946 4.688 1.00 0.00 C ATOM 519 O PHE A 36 -5.010 -9.806 5.263 1.00 0.00 O ATOM 520 CB PHE A 36 -6.305 -10.196 2.594 1.00 0.00 C ATOM 521 CG PHE A 36 -7.447 -10.821 3.387 1.00 0.00 C ATOM 522 CD1 PHE A 36 -8.538 -10.072 3.825 1.00 0.00 C ATOM 523 CD2 PHE A 36 -7.410 -12.168 3.692 1.00 0.00 C ATOM 524 CE1 PHE A 36 -9.558 -10.661 4.549 1.00 0.00 C ATOM 525 CE2 PHE A 36 -8.428 -12.763 4.414 1.00 0.00 C ATOM 526 CZ PHE A 36 -9.503 -12.007 4.843 1.00 0.00 C ATOM 0 H PHE A 36 -3.727 -9.245 2.871 1.00 0.00 H new ATOM 0 HA PHE A 36 -6.427 -8.089 2.917 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -6.654 -9.996 1.581 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -5.497 -10.923 2.515 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -8.587 -9.018 3.596 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -6.573 -12.765 3.361 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -10.396 -10.068 4.884 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -8.383 -13.818 4.643 1.00 0.00 H new ATOM 0 HZ PHE A 36 -10.299 -12.470 5.408 1.00 0.00 H new ATOM 536 N HIS A 37 -6.312 -8.002 5.308 1.00 0.00 N ATOM 537 CA HIS A 37 -6.407 -7.979 6.745 1.00 0.00 C ATOM 538 C HIS A 37 -7.754 -7.365 7.129 1.00 0.00 C ATOM 539 O HIS A 37 -8.025 -7.096 8.295 1.00 0.00 O ATOM 540 CB HIS A 37 -5.237 -7.160 7.342 1.00 0.00 C ATOM 541 CG HIS A 37 -5.427 -5.677 7.377 1.00 0.00 C ATOM 542 ND1 HIS A 37 -5.808 -4.995 8.508 1.00 0.00 N ATOM 543 CD2 HIS A 37 -5.253 -4.752 6.431 1.00 0.00 C ATOM 544 CE1 HIS A 37 -5.852 -3.713 8.248 1.00 0.00 C ATOM 545 NE2 HIS A 37 -5.511 -3.528 6.997 1.00 0.00 N ATOM 0 H HIS A 37 -6.790 -7.233 4.839 1.00 0.00 H new ATOM 0 HA HIS A 37 -6.342 -8.991 7.144 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -5.058 -7.508 8.359 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -4.337 -7.378 6.768 1.00 0.00 H new ATOM 0 HD1 HIS A 37 -6.023 -5.421 9.409 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -4.962 -4.933 5.407 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -6.124 -2.937 8.948 1.00 0.00 H new ATOM 554 N VAL A 38 -8.566 -7.128 6.120 1.00 0.00 N ATOM 555 CA VAL A 38 -9.851 -6.467 6.256 1.00 0.00 C ATOM 556 C VAL A 38 -10.785 -7.041 5.242 1.00 0.00 C ATOM 557 O VAL A 38 -10.332 -7.718 4.339 1.00 0.00 O ATOM 558 CB VAL A 38 -9.780 -4.901 6.066 1.00 0.00 C ATOM 559 CG1 VAL A 38 -9.179 -4.207 7.275 1.00 0.00 C ATOM 560 CG2 VAL A 38 -8.968 -4.531 4.818 1.00 0.00 C ATOM 0 H VAL A 38 -8.348 -7.395 5.160 1.00 0.00 H new ATOM 0 HA VAL A 38 -10.199 -6.640 7.274 1.00 0.00 H new ATOM 0 HB VAL A 38 -10.808 -4.558 5.945 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -9.150 -3.132 7.100 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -9.789 -4.415 8.154 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -8.166 -4.575 7.440 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -8.936 -3.447 4.713 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -7.953 -4.916 4.917 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -9.437 -4.967 3.936 1.00 0.00 H new ATOM 570 N ALA A 39 -12.067 -6.778 5.391 1.00 0.00 N ATOM 571 CA ALA A 39 -13.063 -7.254 4.456 1.00 0.00 C ATOM 572 C ALA A 39 -12.936 -6.495 3.150 1.00 0.00 C ATOM 573 O ALA A 39 -13.558 -5.459 2.941 1.00 0.00 O ATOM 574 CB ALA A 39 -14.470 -7.139 5.035 1.00 0.00 C ATOM 0 H ALA A 39 -12.446 -6.229 6.163 1.00 0.00 H new ATOM 0 HA ALA A 39 -12.888 -8.313 4.264 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -15.194 -7.505 4.307 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -14.538 -7.734 5.946 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -14.684 -6.096 5.267 1.00 0.00 H new ATOM 580 N GLY A 40 -12.035 -6.966 2.354 1.00 0.00 N ATOM 581 CA GLY A 40 -11.746 -6.390 1.105 1.00 0.00 C ATOM 582 C GLY A 40 -10.277 -6.502 0.837 1.00 0.00 C ATOM 583 O GLY A 40 -9.646 -7.498 1.197 1.00 0.00 O ATOM 0 H GLY A 40 -11.469 -7.786 2.571 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -12.310 -6.894 0.320 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -12.051 -5.343 1.095 1.00 0.00 H new ATOM 587 N ARG A 41 -9.721 -5.506 0.222 1.00 0.00 N ATOM 588 CA ARG A 41 -8.331 -5.497 -0.111 1.00 0.00 C ATOM 589 C ARG A 41 -7.694 -4.233 0.417 1.00 0.00 C ATOM 590 O ARG A 41 -8.141 -3.130 0.080 1.00 0.00 O ATOM 591 CB ARG A 41 -8.227 -5.474 -1.594 1.00 0.00 C ATOM 592 CG ARG A 41 -8.907 -6.613 -2.297 1.00 0.00 C ATOM 593 CD ARG A 41 -8.075 -7.884 -2.305 1.00 0.00 C ATOM 594 NE ARG A 41 -6.884 -7.741 -3.168 1.00 0.00 N ATOM 595 CZ ARG A 41 -5.946 -8.675 -3.376 1.00 0.00 C ATOM 596 NH1 ARG A 41 -5.918 -9.781 -2.621 1.00 0.00 N ATOM 597 NH2 ARG A 41 -5.022 -8.488 -4.329 1.00 0.00 N ATOM 0 H ARG A 41 -10.225 -4.667 -0.066 1.00 0.00 H new ATOM 0 HA ARG A 41 -7.835 -6.369 0.317 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -8.650 -4.538 -1.958 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -7.172 -5.475 -1.869 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -9.863 -6.813 -1.813 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -9.125 -6.321 -3.324 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -7.763 -8.124 -1.288 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -8.683 -8.717 -2.657 1.00 0.00 H new ATOM 0 HE ARG A 41 -6.765 -6.850 -3.649 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -6.612 -9.914 -1.885 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -5.203 -10.490 -2.782 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -5.035 -7.638 -4.892 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -4.306 -9.196 -4.491 1.00 0.00 H new ATOM 611 N LYS A 42 -6.644 -4.366 1.183 1.00 0.00 N ATOM 612 CA LYS A 42 -5.987 -3.222 1.727 1.00 0.00 C ATOM 613 C LYS A 42 -4.626 -3.056 1.102 1.00 0.00 C ATOM 614 O LYS A 42 -3.834 -3.964 1.072 1.00 0.00 O ATOM 615 CB LYS A 42 -5.920 -3.286 3.269 1.00 0.00 C ATOM 616 CG LYS A 42 -5.135 -2.147 3.951 1.00 0.00 C ATOM 617 CD LYS A 42 -5.542 -0.744 3.491 1.00 0.00 C ATOM 618 CE LYS A 42 -4.800 0.308 4.300 1.00 0.00 C ATOM 619 NZ LYS A 42 -4.855 1.678 3.685 1.00 0.00 N ATOM 0 H LYS A 42 -6.229 -5.261 1.441 1.00 0.00 H new ATOM 0 HA LYS A 42 -6.574 -2.337 1.483 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -6.938 -3.286 3.659 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -5.469 -4.236 3.556 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -5.275 -2.219 5.030 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -4.071 -2.287 3.758 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -5.320 -0.622 2.431 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -6.618 -0.612 3.609 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -5.224 0.350 5.303 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -3.758 0.007 4.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -4.360 2.355 4.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -4.396 1.658 2.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -5.847 1.970 3.576 1.00 0.00 H new ATOM 633 N CYS A 43 -4.413 -1.903 0.565 1.00 0.00 N ATOM 634 CA CYS A 43 -3.161 -1.536 -0.042 1.00 0.00 C ATOM 635 C CYS A 43 -2.094 -1.317 1.020 1.00 0.00 C ATOM 636 O CYS A 43 -2.358 -0.692 2.074 1.00 0.00 O ATOM 637 CB CYS A 43 -3.385 -0.260 -0.840 1.00 0.00 C ATOM 638 SG CYS A 43 -1.921 0.515 -1.553 1.00 0.00 S ATOM 0 H CYS A 43 -5.117 -1.165 0.531 1.00 0.00 H new ATOM 0 HA CYS A 43 -2.814 -2.336 -0.696 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -4.081 -0.482 -1.649 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -3.873 0.467 -0.190 1.00 0.00 H new ATOM 643 N TYR A 44 -0.938 -1.845 0.782 1.00 0.00 N ATOM 644 CA TYR A 44 0.194 -1.648 1.618 1.00 0.00 C ATOM 645 C TYR A 44 1.358 -1.252 0.793 1.00 0.00 C ATOM 646 O TYR A 44 1.554 -1.739 -0.308 1.00 0.00 O ATOM 647 CB TYR A 44 0.547 -2.875 2.409 1.00 0.00 C ATOM 648 CG TYR A 44 -0.290 -3.113 3.626 1.00 0.00 C ATOM 649 CD1 TYR A 44 -1.538 -3.653 3.527 1.00 0.00 C ATOM 650 CD2 TYR A 44 0.208 -2.833 4.885 1.00 0.00 C ATOM 651 CE1 TYR A 44 -2.282 -3.922 4.636 1.00 0.00 C ATOM 652 CE2 TYR A 44 -0.527 -3.083 6.008 1.00 0.00 C ATOM 653 CZ TYR A 44 -1.767 -3.634 5.883 1.00 0.00 C ATOM 654 OH TYR A 44 -2.495 -3.908 7.005 1.00 0.00 O ATOM 0 H TYR A 44 -0.753 -2.442 -0.024 1.00 0.00 H new ATOM 0 HA TYR A 44 -0.063 -0.860 2.326 1.00 0.00 H new ATOM 0 HB2 TYR A 44 0.465 -3.744 1.756 1.00 0.00 H new ATOM 0 HB3 TYR A 44 1.591 -2.803 2.714 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -1.945 -3.872 2.551 1.00 0.00 H new ATOM 0 HD2 TYR A 44 1.196 -2.409 4.982 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -3.266 -4.357 4.540 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -0.130 -2.847 6.984 1.00 0.00 H new ATOM 0 HH TYR A 44 -1.984 -3.644 7.799 1.00 0.00 H new ATOM 664 N CYS A 45 2.116 -0.411 1.322 1.00 0.00 N ATOM 665 CA CYS A 45 3.234 0.115 0.670 1.00 0.00 C ATOM 666 C CYS A 45 4.452 -0.642 1.103 1.00 0.00 C ATOM 667 O CYS A 45 4.613 -0.952 2.283 1.00 0.00 O ATOM 668 CB CYS A 45 3.337 1.576 1.018 1.00 0.00 C ATOM 669 SG CYS A 45 1.781 2.484 0.739 1.00 0.00 S ATOM 0 H CYS A 45 1.978 -0.046 2.264 1.00 0.00 H new ATOM 0 HA CYS A 45 3.145 0.018 -0.412 1.00 0.00 H new ATOM 0 HB2 CYS A 45 3.627 1.675 2.064 1.00 0.00 H new ATOM 0 HB3 CYS A 45 4.129 2.031 0.423 1.00 0.00 H new ATOM 674 N TYR A 46 5.290 -0.957 0.170 1.00 0.00 N ATOM 675 CA TYR A 46 6.461 -1.720 0.446 1.00 0.00 C ATOM 676 C TYR A 46 7.680 -0.891 0.262 1.00 0.00 C ATOM 677 O TYR A 46 7.791 -0.135 -0.705 1.00 0.00 O ATOM 678 CB TYR A 46 6.522 -2.983 -0.400 1.00 0.00 C ATOM 679 CG TYR A 46 5.560 -4.075 0.016 1.00 0.00 C ATOM 680 CD1 TYR A 46 6.028 -5.206 0.658 1.00 0.00 C ATOM 681 CD2 TYR A 46 4.193 -3.984 -0.234 1.00 0.00 C ATOM 682 CE1 TYR A 46 5.179 -6.215 1.033 1.00 0.00 C ATOM 683 CE2 TYR A 46 3.336 -4.980 0.147 1.00 0.00 C ATOM 684 CZ TYR A 46 3.831 -6.100 0.780 1.00 0.00 C ATOM 685 OH TYR A 46 2.979 -7.117 1.141 1.00 0.00 O ATOM 0 H TYR A 46 5.180 -0.691 -0.809 1.00 0.00 H new ATOM 0 HA TYR A 46 6.415 -2.034 1.489 1.00 0.00 H new ATOM 0 HB2 TYR A 46 6.321 -2.718 -1.438 1.00 0.00 H new ATOM 0 HB3 TYR A 46 7.537 -3.379 -0.363 1.00 0.00 H new ATOM 0 HD1 TYR A 46 7.083 -5.297 0.868 1.00 0.00 H new ATOM 0 HD2 TYR A 46 3.803 -3.112 -0.737 1.00 0.00 H new ATOM 0 HE1 TYR A 46 5.566 -7.095 1.524 1.00 0.00 H new ATOM 0 HE2 TYR A 46 2.277 -4.889 -0.047 1.00 0.00 H new ATOM 0 HH TYR A 46 2.061 -6.878 0.893 1.00 0.00 H new ATOM 695 N LYS A 47 8.580 -1.016 1.186 1.00 0.00 N ATOM 696 CA LYS A 47 9.809 -0.274 1.156 1.00 0.00 C ATOM 697 C LYS A 47 10.926 -1.100 1.765 1.00 0.00 C ATOM 698 O LYS A 47 10.686 -1.894 2.698 1.00 0.00 O ATOM 699 CB LYS A 47 9.665 1.092 1.869 1.00 0.00 C ATOM 700 CG LYS A 47 9.202 1.021 3.318 1.00 0.00 C ATOM 701 CD LYS A 47 9.147 2.397 3.954 1.00 0.00 C ATOM 702 CE LYS A 47 8.776 2.311 5.427 1.00 0.00 C ATOM 703 NZ LYS A 47 9.825 1.613 6.229 1.00 0.00 N ATOM 0 H LYS A 47 8.486 -1.638 1.989 1.00 0.00 H new ATOM 0 HA LYS A 47 10.059 -0.064 0.116 1.00 0.00 H new ATOM 0 HB2 LYS A 47 10.627 1.604 1.836 1.00 0.00 H new ATOM 0 HB3 LYS A 47 8.959 1.704 1.308 1.00 0.00 H new ATOM 0 HG2 LYS A 47 8.216 0.559 3.363 1.00 0.00 H new ATOM 0 HG3 LYS A 47 9.879 0.384 3.886 1.00 0.00 H new ATOM 0 HD2 LYS A 47 10.115 2.888 3.849 1.00 0.00 H new ATOM 0 HD3 LYS A 47 8.418 3.014 3.429 1.00 0.00 H new ATOM 0 HE2 LYS A 47 8.626 3.316 5.822 1.00 0.00 H new ATOM 0 HE3 LYS A 47 7.828 1.783 5.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 9.582 1.665 7.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 9.879 0.616 5.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 10.745 2.071 6.070 1.00 0.00 H new ATOM 717 N PRO A 48 12.136 -0.975 1.233 1.00 0.00 N ATOM 718 CA PRO A 48 13.280 -1.701 1.731 1.00 0.00 C ATOM 719 C PRO A 48 13.791 -1.150 3.059 1.00 0.00 C ATOM 720 O PRO A 48 14.097 0.033 3.203 1.00 0.00 O ATOM 721 CB PRO A 48 14.334 -1.527 0.631 1.00 0.00 C ATOM 722 CG PRO A 48 13.980 -0.246 -0.037 1.00 0.00 C ATOM 723 CD PRO A 48 12.489 -0.113 0.076 1.00 0.00 C ATOM 0 HA PRO A 48 13.035 -2.743 1.936 1.00 0.00 H new ATOM 0 HB2 PRO A 48 15.340 -1.490 1.050 1.00 0.00 H new ATOM 0 HB3 PRO A 48 14.312 -2.359 -0.073 1.00 0.00 H new ATOM 0 HG2 PRO A 48 14.483 0.594 0.441 1.00 0.00 H new ATOM 0 HG3 PRO A 48 14.292 -0.252 -1.081 1.00 0.00 H new ATOM 0 HD2 PRO A 48 12.193 0.922 0.245 1.00 0.00 H new ATOM 0 HD3 PRO A 48 11.989 -0.443 -0.835 1.00 0.00 H new ATOM 731 N CYS A 49 13.781 -1.997 4.015 1.00 0.00 N ATOM 732 CA CYS A 49 14.377 -1.763 5.293 1.00 0.00 C ATOM 733 C CYS A 49 15.479 -2.806 5.406 1.00 0.00 C ATOM 734 O CYS A 49 15.538 -3.677 4.528 1.00 0.00 O ATOM 735 CB CYS A 49 13.324 -1.975 6.382 1.00 0.00 C ATOM 736 SG CYS A 49 11.891 -0.860 6.310 1.00 0.00 S ATOM 0 H CYS A 49 13.342 -2.914 3.936 1.00 0.00 H new ATOM 0 HA CYS A 49 14.767 -0.751 5.403 1.00 0.00 H new ATOM 0 HB2 CYS A 49 12.966 -3.003 6.322 1.00 0.00 H new ATOM 0 HB3 CYS A 49 13.803 -1.860 7.354 1.00 0.00 H new ATOM 741 N PRO A 50 16.383 -2.737 6.397 1.00 0.00 N ATOM 742 CA PRO A 50 17.393 -3.789 6.604 1.00 0.00 C ATOM 743 C PRO A 50 16.711 -5.137 6.839 1.00 0.00 C ATOM 744 O PRO A 50 16.766 -6.025 5.943 1.00 0.00 O ATOM 745 CB PRO A 50 18.138 -3.334 7.866 1.00 0.00 C ATOM 746 CG PRO A 50 17.913 -1.865 7.926 1.00 0.00 C ATOM 747 CD PRO A 50 16.534 -1.643 7.379 1.00 0.00 C ATOM 748 OXT PRO A 50 16.000 -5.269 7.860 1.00 0.00 O ATOM 0 HA PRO A 50 18.055 -3.921 5.748 1.00 0.00 H new ATOM 0 HB2 PRO A 50 17.751 -3.831 8.756 1.00 0.00 H new ATOM 0 HB3 PRO A 50 19.200 -3.570 7.806 1.00 0.00 H new ATOM 0 HG2 PRO A 50 17.992 -1.498 8.949 1.00 0.00 H new ATOM 0 HG3 PRO A 50 18.658 -1.330 7.337 1.00 0.00 H new ATOM 0 HD2 PRO A 50 15.777 -1.696 8.161 1.00 0.00 H new ATOM 0 HD3 PRO A 50 16.439 -0.664 6.909 1.00 0.00 H new TER 756 PRO A 50