USER MOD reduce.3.24.130724 H: found=0, std=0, add=415, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 408 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 38 SER OG : rot -6:sc= 0.981 USER MOD Set 1.2: A 40 THR OG1 : rot -73:sc= 1.23 USER MOD Set 2.1: A 11 THR OG1 : rot 180:sc= -0.132 USER MOD Set 2.2: A 12 CYS SG : rot -13:sc= -0.26 USER MOD Set 2.3: A 15 CYS SG : rot -150:sc= 0.624 USER MOD Set 2.4: A 61 TYR OH : rot -85:sc= 0.729 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 HIS : no HD1:sc= -0.0358 X(o=-0.036,f=-0.44) USER MOD Single : A 10 MET CE :methyl -175:sc= -0.583 (180deg=-0.758) USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 150:sc= 0 USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 57 THR OG1 : rot -12:sc= 1.12 USER MOD Single : A 62 THR OG1 : rot -51:sc= 0.814 USER MOD ----------------------------------------------------------------- ATOM 18 N LEU A 3 3.890 -7.971 -1.075 1.00 0.00 N ATOM 19 CA LEU A 3 2.961 -7.871 0.045 1.00 0.00 C ATOM 20 C LEU A 3 1.516 -7.889 -0.442 1.00 0.00 C ATOM 21 O LEU A 3 1.138 -7.117 -1.323 1.00 0.00 O ATOM 22 CB LEU A 3 3.239 -6.598 0.855 1.00 0.00 C ATOM 23 CG LEU A 3 2.188 -6.260 1.920 1.00 0.00 C ATOM 24 CD1 LEU A 3 2.183 -7.328 3.005 1.00 0.00 C ATOM 25 CD2 LEU A 3 2.488 -4.891 2.513 1.00 0.00 C ATOM 0 HA LEU A 3 3.110 -8.736 0.691 1.00 0.00 H new ATOM 0 HB2 LEU A 3 4.208 -6.702 1.343 1.00 0.00 H new ATOM 0 HB3 LEU A 3 3.318 -5.758 0.165 1.00 0.00 H new ATOM 0 HG LEU A 3 1.200 -6.235 1.461 1.00 0.00 H new ATOM 0 HD11 LEU A 3 1.434 -7.080 3.757 1.00 0.00 H new ATOM 0 HD12 LEU A 3 1.946 -8.295 2.562 1.00 0.00 H new ATOM 0 HD13 LEU A 3 3.166 -7.375 3.474 1.00 0.00 H new ATOM 0 HD21 LEU A 3 1.741 -4.651 3.270 1.00 0.00 H new ATOM 0 HD22 LEU A 3 3.477 -4.901 2.970 1.00 0.00 H new ATOM 0 HD23 LEU A 3 2.460 -4.139 1.724 1.00 0.00 H new ATOM 37 N SER A 4 0.710 -8.772 0.139 1.00 0.00 N ATOM 38 CA SER A 4 -0.740 -8.655 0.055 1.00 0.00 C ATOM 39 C SER A 4 -1.329 -8.218 1.392 1.00 0.00 C ATOM 40 O SER A 4 -1.222 -8.925 2.393 1.00 0.00 O ATOM 41 CB SER A 4 -1.347 -9.973 -0.386 1.00 0.00 C ATOM 42 OG SER A 4 -2.747 -9.925 -0.414 1.00 0.00 O ATOM 0 H SER A 4 1.038 -9.577 0.673 1.00 0.00 H new ATOM 0 HA SER A 4 -0.980 -7.892 -0.686 1.00 0.00 H new ATOM 0 HB2 SER A 4 -0.974 -10.230 -1.377 1.00 0.00 H new ATOM 0 HB3 SER A 4 -1.025 -10.764 0.291 1.00 0.00 H new ATOM 0 HG SER A 4 -3.098 -10.793 -0.704 1.00 0.00 H new ATOM 48 N PHE A 5 -1.953 -7.044 1.400 1.00 0.00 N ATOM 49 CA PHE A 5 -2.356 -6.400 2.645 1.00 0.00 C ATOM 50 C PHE A 5 -3.769 -5.839 2.536 1.00 0.00 C ATOM 51 O PHE A 5 -4.097 -5.130 1.583 1.00 0.00 O ATOM 52 CB PHE A 5 -1.373 -5.288 3.016 1.00 0.00 C ATOM 53 CG PHE A 5 -1.679 -4.620 4.326 1.00 0.00 C ATOM 54 CD1 PHE A 5 -1.421 -5.265 5.526 1.00 0.00 C ATOM 55 CD2 PHE A 5 -2.226 -3.347 4.361 1.00 0.00 C ATOM 56 CE1 PHE A 5 -1.702 -4.652 6.732 1.00 0.00 C ATOM 57 CE2 PHE A 5 -2.507 -2.731 5.566 1.00 0.00 C ATOM 58 CZ PHE A 5 -2.245 -3.385 6.753 1.00 0.00 C ATOM 0 H PHE A 5 -2.190 -6.519 0.558 1.00 0.00 H new ATOM 0 HA PHE A 5 -2.347 -7.154 3.432 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -0.367 -5.705 3.058 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -1.374 -4.536 2.227 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -0.996 -6.258 5.518 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -2.435 -2.830 3.436 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -1.496 -5.166 7.659 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -2.932 -1.738 5.579 1.00 0.00 H new ATOM 0 HZ PHE A 5 -2.465 -2.906 7.695 1.00 0.00 H new ATOM 68 N HIS A 6 -4.607 -6.163 3.518 1.00 0.00 N ATOM 69 CA HIS A 6 -6.001 -5.736 3.505 1.00 0.00 C ATOM 70 C HIS A 6 -6.171 -4.409 4.237 1.00 0.00 C ATOM 71 O HIS A 6 -5.643 -4.222 5.334 1.00 0.00 O ATOM 72 CB HIS A 6 -6.902 -6.803 4.136 1.00 0.00 C ATOM 73 CG HIS A 6 -8.364 -6.530 3.972 1.00 0.00 C ATOM 74 ND1 HIS A 6 -9.052 -5.650 4.780 1.00 0.00 N ATOM 75 CD2 HIS A 6 -9.270 -7.022 3.094 1.00 0.00 C ATOM 76 CE1 HIS A 6 -10.319 -5.611 4.406 1.00 0.00 C ATOM 77 NE2 HIS A 6 -10.477 -6.434 3.386 1.00 0.00 N ATOM 0 H HIS A 6 -4.344 -6.719 4.331 1.00 0.00 H new ATOM 0 HA HIS A 6 -6.297 -5.599 2.465 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -6.670 -7.771 3.691 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -6.672 -6.877 5.199 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -9.080 -7.741 2.311 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -11.093 -5.009 4.858 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -11.354 -6.606 2.894 1.00 0.00 H new ATOM 84 N VAL A 7 -6.909 -3.489 3.624 1.00 0.00 N ATOM 85 CA VAL A 7 -7.083 -2.154 4.181 1.00 0.00 C ATOM 86 C VAL A 7 -8.559 -1.830 4.383 1.00 0.00 C ATOM 87 O VAL A 7 -9.352 -1.892 3.443 1.00 0.00 O ATOM 88 CB VAL A 7 -6.450 -1.079 3.277 1.00 0.00 C ATOM 89 CG1 VAL A 7 -6.708 0.311 3.841 1.00 0.00 C ATOM 90 CG2 VAL A 7 -4.956 -1.322 3.124 1.00 0.00 C ATOM 0 H VAL A 7 -7.396 -3.644 2.741 1.00 0.00 H new ATOM 0 HA VAL A 7 -6.578 -2.147 5.147 1.00 0.00 H new ATOM 0 HB VAL A 7 -6.912 -1.143 2.292 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -6.254 1.058 3.190 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -7.782 0.486 3.900 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -6.273 0.386 4.838 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.526 -0.553 2.482 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -4.479 -1.285 4.104 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -4.791 -2.302 2.676 1.00 0.00 H new ATOM 100 N GLU A 8 -8.921 -1.483 5.615 1.00 0.00 N ATOM 101 CA GLU A 8 -10.300 -1.138 5.937 1.00 0.00 C ATOM 102 C GLU A 8 -10.672 0.221 5.350 1.00 0.00 C ATOM 103 O GLU A 8 -11.784 0.414 4.858 1.00 0.00 O ATOM 104 CB GLU A 8 -10.513 -1.137 7.452 1.00 0.00 C ATOM 105 CG GLU A 8 -11.943 -0.847 7.886 1.00 0.00 C ATOM 106 CD GLU A 8 -12.096 -0.961 9.377 1.00 0.00 C ATOM 107 OE1 GLU A 8 -11.130 -1.270 10.031 1.00 0.00 O ATOM 108 OE2 GLU A 8 -13.147 -0.631 9.873 1.00 0.00 O ATOM 0 H GLU A 8 -8.278 -1.434 6.405 1.00 0.00 H new ATOM 0 HA GLU A 8 -10.949 -1.893 5.493 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -10.215 -2.108 7.849 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -9.853 -0.394 7.899 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -12.226 0.155 7.565 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -12.623 -1.543 7.394 1.00 0.00 H new ATOM 115 N ASP A 9 -9.735 1.161 5.408 1.00 0.00 N ATOM 116 CA ASP A 9 -10.005 2.536 5.007 1.00 0.00 C ATOM 117 C ASP A 9 -9.686 2.745 3.530 1.00 0.00 C ATOM 118 O ASP A 9 -8.988 3.689 3.162 1.00 0.00 O ATOM 119 CB ASP A 9 -9.199 3.514 5.865 1.00 0.00 C ATOM 120 CG ASP A 9 -9.642 3.589 7.320 1.00 0.00 C ATOM 121 OD1 ASP A 9 -10.688 3.069 7.628 1.00 0.00 O ATOM 122 OD2 ASP A 9 -8.866 4.024 8.135 1.00 0.00 O ATOM 0 H ASP A 9 -8.781 0.995 5.729 1.00 0.00 H new ATOM 0 HA ASP A 9 -11.067 2.729 5.160 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -8.148 3.226 5.832 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -9.271 4.509 5.425 1.00 0.00 H new ATOM 127 N MET A 10 -10.202 1.855 2.688 1.00 0.00 N ATOM 128 CA MET A 10 -10.137 2.043 1.243 1.00 0.00 C ATOM 129 C MET A 10 -11.287 2.915 0.754 1.00 0.00 C ATOM 130 O MET A 10 -12.434 2.735 1.163 1.00 0.00 O ATOM 131 CB MET A 10 -10.155 0.691 0.532 1.00 0.00 C ATOM 132 CG MET A 10 -8.865 -0.106 0.660 1.00 0.00 C ATOM 133 SD MET A 10 -7.439 0.768 -0.015 1.00 0.00 S ATOM 134 CE MET A 10 -7.875 0.839 -1.751 1.00 0.00 C ATOM 0 H MET A 10 -10.669 0.997 2.981 1.00 0.00 H new ATOM 0 HA MET A 10 -9.202 2.552 1.008 1.00 0.00 H new ATOM 0 HB2 MET A 10 -10.976 0.096 0.931 1.00 0.00 H new ATOM 0 HB3 MET A 10 -10.364 0.853 -0.525 1.00 0.00 H new ATOM 0 HG2 MET A 10 -8.684 -0.331 1.711 1.00 0.00 H new ATOM 0 HG3 MET A 10 -8.979 -1.060 0.145 1.00 0.00 H new ATOM 0 HE1 MET A 10 -7.050 1.272 -2.316 1.00 0.00 H new ATOM 0 HE2 MET A 10 -8.076 -0.168 -2.117 1.00 0.00 H new ATOM 0 HE3 MET A 10 -8.765 1.456 -1.878 1.00 0.00 H new ATOM 144 N THR A 11 -10.973 3.864 -0.122 1.00 0.00 N ATOM 145 CA THR A 11 -11.980 4.772 -0.659 1.00 0.00 C ATOM 146 C THR A 11 -12.057 4.671 -2.178 1.00 0.00 C ATOM 147 O THR A 11 -13.091 4.299 -2.733 1.00 0.00 O ATOM 148 CB THR A 11 -11.690 6.233 -0.265 1.00 0.00 C ATOM 149 OG1 THR A 11 -10.363 6.587 -0.675 1.00 0.00 O ATOM 150 CG2 THR A 11 -11.818 6.414 1.240 1.00 0.00 C ATOM 0 H THR A 11 -10.030 4.024 -0.475 1.00 0.00 H new ATOM 0 HA THR A 11 -12.936 4.473 -0.229 1.00 0.00 H new ATOM 0 HB THR A 11 -12.415 6.879 -0.761 1.00 0.00 H new ATOM 0 HG1 THR A 11 -10.181 7.517 -0.425 1.00 0.00 H new ATOM 0 HG21 THR A 11 -11.610 7.452 1.501 1.00 0.00 H new ATOM 0 HG22 THR A 11 -12.830 6.157 1.553 1.00 0.00 H new ATOM 0 HG23 THR A 11 -11.106 5.763 1.747 1.00 0.00 H new ATOM 158 N CYS A 12 -10.959 5.005 -2.845 1.00 0.00 N ATOM 159 CA CYS A 12 -10.917 4.999 -4.303 1.00 0.00 C ATOM 160 C CYS A 12 -9.662 4.294 -4.809 1.00 0.00 C ATOM 161 O CYS A 12 -8.805 3.893 -4.024 1.00 0.00 O ATOM 162 CB CYS A 12 -10.878 6.487 -4.649 1.00 0.00 C ATOM 163 SG CYS A 12 -9.415 7.359 -4.041 1.00 0.00 S ATOM 0 H CYS A 12 -10.085 5.284 -2.399 1.00 0.00 H new ATOM 0 HA CYS A 12 -11.756 4.471 -4.755 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -10.927 6.597 -5.732 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -11.767 6.966 -4.240 1.00 0.00 H new ATOM 0 HG CYS A 12 -8.786 6.608 -3.187 1.00 0.00 H new ATOM 169 N GLY A 13 -9.562 4.148 -6.127 1.00 0.00 N ATOM 170 CA GLY A 13 -8.434 3.446 -6.711 1.00 0.00 C ATOM 171 C GLY A 13 -7.199 4.320 -6.817 1.00 0.00 C ATOM 172 O GLY A 13 -6.175 3.897 -7.353 1.00 0.00 O ATOM 0 H GLY A 13 -10.241 4.503 -6.800 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -8.204 2.569 -6.107 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -8.708 3.087 -7.703 1.00 0.00 H new ATOM 176 N HIS A 14 -7.296 5.544 -6.307 1.00 0.00 N ATOM 177 CA HIS A 14 -6.161 6.459 -6.297 1.00 0.00 C ATOM 178 C HIS A 14 -5.345 6.299 -5.018 1.00 0.00 C ATOM 179 O HIS A 14 -4.288 6.912 -4.864 1.00 0.00 O ATOM 180 CB HIS A 14 -6.633 7.911 -6.441 1.00 0.00 C ATOM 181 CG HIS A 14 -7.328 8.191 -7.737 1.00 0.00 C ATOM 182 ND1 HIS A 14 -6.664 8.216 -8.946 1.00 0.00 N ATOM 183 CD2 HIS A 14 -8.626 8.457 -8.014 1.00 0.00 C ATOM 184 CE1 HIS A 14 -7.525 8.487 -9.912 1.00 0.00 C ATOM 185 NE2 HIS A 14 -8.722 8.638 -9.372 1.00 0.00 N ATOM 0 H HIS A 14 -8.148 5.924 -5.896 1.00 0.00 H new ATOM 0 HA HIS A 14 -5.525 6.212 -7.147 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -7.308 8.148 -5.618 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -5.773 8.574 -6.349 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -9.435 8.516 -7.301 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -7.290 8.571 -10.963 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -9.579 8.854 -9.882 1.00 0.00 H new ATOM 192 N CYS A 15 -5.843 5.475 -4.104 1.00 0.00 N ATOM 193 CA CYS A 15 -5.113 5.157 -2.882 1.00 0.00 C ATOM 194 C CYS A 15 -3.819 4.413 -3.201 1.00 0.00 C ATOM 195 O CYS A 15 -2.860 4.461 -2.431 1.00 0.00 O ATOM 196 CB CYS A 15 -6.086 4.248 -2.131 1.00 0.00 C ATOM 197 SG CYS A 15 -7.557 5.087 -1.497 1.00 0.00 S ATOM 0 H CYS A 15 -6.750 5.015 -4.186 1.00 0.00 H new ATOM 0 HA CYS A 15 -4.818 6.040 -2.315 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -6.400 3.444 -2.797 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -5.560 3.784 -1.297 1.00 0.00 H new ATOM 0 HG CYS A 15 -7.967 4.489 -0.418 1.00 0.00 H new ATOM 203 N ALA A 16 -3.801 3.728 -4.339 1.00 0.00 N ATOM 204 CA ALA A 16 -2.595 3.060 -4.810 1.00 0.00 C ATOM 205 C ALA A 16 -1.467 4.061 -5.042 1.00 0.00 C ATOM 206 O ALA A 16 -0.310 3.791 -4.725 1.00 0.00 O ATOM 207 CB ALA A 16 -2.886 2.282 -6.084 1.00 0.00 C ATOM 0 H ALA A 16 -4.609 3.621 -4.952 1.00 0.00 H new ATOM 0 HA ALA A 16 -2.271 2.362 -4.038 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -1.976 1.788 -6.425 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -3.653 1.533 -5.886 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.238 2.966 -6.856 1.00 0.00 H new ATOM 213 N GLY A 17 -1.816 5.216 -5.601 1.00 0.00 N ATOM 214 CA GLY A 17 -0.832 6.262 -5.813 1.00 0.00 C ATOM 215 C GLY A 17 -0.296 6.827 -4.511 1.00 0.00 C ATOM 216 O GLY A 17 0.900 7.088 -4.386 1.00 0.00 O ATOM 0 H GLY A 17 -2.760 5.446 -5.910 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -0.005 5.864 -6.401 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -1.281 7.066 -6.397 1.00 0.00 H new ATOM 220 N VAL A 18 -1.184 7.018 -3.541 1.00 0.00 N ATOM 221 CA VAL A 18 -0.788 7.527 -2.234 1.00 0.00 C ATOM 222 C VAL A 18 0.129 6.543 -1.515 1.00 0.00 C ATOM 223 O VAL A 18 1.150 6.933 -0.948 1.00 0.00 O ATOM 224 CB VAL A 18 -2.013 7.815 -1.345 1.00 0.00 C ATOM 225 CG1 VAL A 18 -1.574 8.162 0.070 1.00 0.00 C ATOM 226 CG2 VAL A 18 -2.845 8.944 -1.934 1.00 0.00 C ATOM 0 H VAL A 18 -2.182 6.828 -3.636 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.251 8.459 -2.409 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.629 6.916 -1.306 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.452 8.363 0.684 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.018 7.326 0.494 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.938 9.047 0.047 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.706 9.134 -1.293 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.237 9.846 -2.002 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -3.189 8.662 -2.929 1.00 0.00 H new ATOM 236 N ILE A 19 -0.241 5.268 -1.545 1.00 0.00 N ATOM 237 CA ILE A 19 0.578 4.221 -0.945 1.00 0.00 C ATOM 238 C ILE A 19 1.913 4.086 -1.669 1.00 0.00 C ATOM 239 O ILE A 19 2.963 3.954 -1.039 1.00 0.00 O ATOM 240 CB ILE A 19 -0.145 2.861 -0.957 1.00 0.00 C ATOM 241 CG1 ILE A 19 -1.347 2.886 -0.011 1.00 0.00 C ATOM 242 CG2 ILE A 19 0.816 1.746 -0.574 1.00 0.00 C ATOM 243 CD1 ILE A 19 -2.269 1.698 -0.163 1.00 0.00 C ATOM 0 H ILE A 19 -1.102 4.934 -1.978 1.00 0.00 H new ATOM 0 HA ILE A 19 0.758 4.514 0.089 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.508 2.670 -1.967 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.987 2.925 1.017 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.915 3.800 -0.185 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.290 0.792 -0.587 1.00 0.00 H new ATOM 0 HG22 ILE A 19 1.640 1.716 -1.286 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.207 1.931 0.426 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.097 1.787 0.541 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -2.659 1.668 -1.180 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -1.717 0.781 0.041 1.00 0.00 H new ATOM 255 N LYS A 20 1.868 4.121 -2.996 1.00 0.00 N ATOM 256 CA LYS A 20 3.076 4.025 -3.807 1.00 0.00 C ATOM 257 C LYS A 20 4.066 5.126 -3.439 1.00 0.00 C ATOM 258 O LYS A 20 5.245 4.862 -3.206 1.00 0.00 O ATOM 259 CB LYS A 20 2.732 4.100 -5.295 1.00 0.00 C ATOM 260 CG LYS A 20 3.936 4.019 -6.225 1.00 0.00 C ATOM 261 CD LYS A 20 3.516 4.118 -7.684 1.00 0.00 C ATOM 262 CE LYS A 20 4.725 4.138 -8.608 1.00 0.00 C ATOM 263 NZ LYS A 20 4.332 4.286 -10.035 1.00 0.00 N ATOM 0 H LYS A 20 1.006 4.215 -3.534 1.00 0.00 H new ATOM 0 HA LYS A 20 3.542 3.061 -3.604 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.046 3.289 -5.538 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.203 5.033 -5.486 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.634 4.822 -5.990 1.00 0.00 H new ATOM 0 HG3 LYS A 20 4.464 3.080 -6.059 1.00 0.00 H new ATOM 0 HD2 LYS A 20 2.875 3.274 -7.938 1.00 0.00 H new ATOM 0 HD3 LYS A 20 2.926 5.022 -7.834 1.00 0.00 H new ATOM 0 HE2 LYS A 20 5.383 4.960 -8.326 1.00 0.00 H new ATOM 0 HE3 LYS A 20 5.293 3.216 -8.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.184 4.295 -10.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 3.724 3.489 -10.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 3.812 5.178 -10.161 1.00 0.00 H new ATOM 277 N GLY A 21 3.579 6.363 -3.389 1.00 0.00 N ATOM 278 CA GLY A 21 4.446 7.490 -3.101 1.00 0.00 C ATOM 279 C GLY A 21 5.120 7.373 -1.750 1.00 0.00 C ATOM 280 O GLY A 21 6.301 7.690 -1.608 1.00 0.00 O ATOM 0 H GLY A 21 2.600 6.604 -3.543 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.207 7.567 -3.878 1.00 0.00 H new ATOM 0 HA3 GLY A 21 3.863 8.410 -3.134 1.00 0.00 H new ATOM 284 N ALA A 22 4.369 6.918 -0.752 1.00 0.00 N ATOM 285 CA ALA A 22 4.912 6.726 0.587 1.00 0.00 C ATOM 286 C ALA A 22 5.968 5.627 0.599 1.00 0.00 C ATOM 287 O ALA A 22 7.005 5.757 1.252 1.00 0.00 O ATOM 288 CB ALA A 22 3.794 6.398 1.566 1.00 0.00 C ATOM 0 H ALA A 22 3.383 6.676 -0.846 1.00 0.00 H new ATOM 0 HA ALA A 22 5.390 7.655 0.896 1.00 0.00 H new ATOM 0 HB1 ALA A 22 4.213 6.257 2.562 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.076 7.218 1.587 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.291 5.484 1.251 1.00 0.00 H new ATOM 294 N ILE A 23 5.701 4.546 -0.126 1.00 0.00 N ATOM 295 CA ILE A 23 6.643 3.440 -0.223 1.00 0.00 C ATOM 296 C ILE A 23 7.897 3.850 -0.987 1.00 0.00 C ATOM 297 O ILE A 23 9.011 3.487 -0.611 1.00 0.00 O ATOM 298 CB ILE A 23 6.009 2.217 -0.913 1.00 0.00 C ATOM 299 CG1 ILE A 23 4.939 1.592 -0.015 1.00 0.00 C ATOM 300 CG2 ILE A 23 7.077 1.193 -1.267 1.00 0.00 C ATOM 301 CD1 ILE A 23 4.121 0.518 -0.696 1.00 0.00 C ATOM 0 H ILE A 23 4.839 4.413 -0.655 1.00 0.00 H new ATOM 0 HA ILE A 23 6.916 3.169 0.797 1.00 0.00 H new ATOM 0 HB ILE A 23 5.532 2.548 -1.836 1.00 0.00 H new ATOM 0 HG12 ILE A 23 5.421 1.166 0.865 1.00 0.00 H new ATOM 0 HG13 ILE A 23 4.270 2.377 0.337 1.00 0.00 H new ATOM 0 HG21 ILE A 23 6.612 0.336 -1.754 1.00 0.00 H new ATOM 0 HG22 ILE A 23 7.804 1.644 -1.943 1.00 0.00 H new ATOM 0 HG23 ILE A 23 7.582 0.865 -0.358 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.384 0.123 0.004 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.610 0.943 -1.560 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.778 -0.287 -1.023 1.00 0.00 H new ATOM 313 N GLU A 24 7.708 4.612 -2.060 1.00 0.00 N ATOM 314 CA GLU A 24 8.810 4.973 -2.944 1.00 0.00 C ATOM 315 C GLU A 24 9.930 5.655 -2.164 1.00 0.00 C ATOM 316 O GLU A 24 11.104 5.547 -2.519 1.00 0.00 O ATOM 317 CB GLU A 24 8.319 5.885 -4.070 1.00 0.00 C ATOM 318 CG GLU A 24 7.524 5.172 -5.154 1.00 0.00 C ATOM 319 CD GLU A 24 8.433 4.482 -6.133 1.00 0.00 C ATOM 320 OE1 GLU A 24 9.614 4.729 -6.094 1.00 0.00 O ATOM 321 OE2 GLU A 24 7.966 3.623 -6.843 1.00 0.00 O ATOM 0 H GLU A 24 6.803 4.991 -2.338 1.00 0.00 H new ATOM 0 HA GLU A 24 9.205 4.057 -3.383 1.00 0.00 H new ATOM 0 HB2 GLU A 24 7.699 6.672 -3.640 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.180 6.372 -4.528 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.856 4.442 -4.697 1.00 0.00 H new ATOM 0 HG3 GLU A 24 6.897 5.891 -5.681 1.00 0.00 H new ATOM 328 N LYS A 25 9.560 6.360 -1.100 1.00 0.00 N ATOM 329 CA LYS A 25 10.522 7.126 -0.318 1.00 0.00 C ATOM 330 C LYS A 25 11.597 6.217 0.268 1.00 0.00 C ATOM 331 O LYS A 25 12.778 6.563 0.284 1.00 0.00 O ATOM 332 CB LYS A 25 9.814 7.896 0.799 1.00 0.00 C ATOM 333 CG LYS A 25 8.944 9.048 0.316 1.00 0.00 C ATOM 334 CD LYS A 25 8.276 9.763 1.481 1.00 0.00 C ATOM 335 CE LYS A 25 7.382 10.896 0.997 1.00 0.00 C ATOM 336 NZ LYS A 25 6.705 11.591 2.125 1.00 0.00 N ATOM 0 H LYS A 25 8.600 6.416 -0.760 1.00 0.00 H new ATOM 0 HA LYS A 25 11.005 7.840 -0.985 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.194 7.201 1.366 1.00 0.00 H new ATOM 0 HB3 LYS A 25 10.564 8.287 1.486 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.553 9.756 -0.246 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.183 8.670 -0.366 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.684 9.051 2.056 1.00 0.00 H new ATOM 0 HD3 LYS A 25 9.038 10.160 2.152 1.00 0.00 H new ATOM 0 HE2 LYS A 25 7.979 11.614 0.434 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.632 10.499 0.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.106 12.355 1.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.115 10.912 2.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.420 11.992 2.765 1.00 0.00 H new ATOM 350 N THR A 26 11.179 5.049 0.748 1.00 0.00 N ATOM 351 CA THR A 26 12.103 4.099 1.359 1.00 0.00 C ATOM 352 C THR A 26 12.464 2.983 0.387 1.00 0.00 C ATOM 353 O THR A 26 13.523 2.366 0.501 1.00 0.00 O ATOM 354 CB THR A 26 11.514 3.481 2.640 1.00 0.00 C ATOM 355 OG1 THR A 26 10.312 2.768 2.319 1.00 0.00 O ATOM 356 CG2 THR A 26 11.198 4.565 3.659 1.00 0.00 C ATOM 0 H THR A 26 10.208 4.738 0.726 1.00 0.00 H new ATOM 0 HA THR A 26 13.003 4.657 1.618 1.00 0.00 H new ATOM 0 HB THR A 26 12.248 2.798 3.067 1.00 0.00 H new ATOM 0 HG1 THR A 26 10.198 2.021 2.943 1.00 0.00 H new ATOM 0 HG21 THR A 26 10.783 4.109 4.558 1.00 0.00 H new ATOM 0 HG22 THR A 26 12.111 5.102 3.914 1.00 0.00 H new ATOM 0 HG23 THR A 26 10.473 5.261 3.237 1.00 0.00 H new ATOM 364 N VAL A 27 11.579 2.727 -0.572 1.00 0.00 N ATOM 365 CA VAL A 27 11.802 1.680 -1.560 1.00 0.00 C ATOM 366 C VAL A 27 11.503 2.180 -2.968 1.00 0.00 C ATOM 367 O VAL A 27 10.371 2.120 -3.448 1.00 0.00 O ATOM 368 CB VAL A 27 10.939 0.437 -1.272 1.00 0.00 C ATOM 369 CG1 VAL A 27 11.236 -0.663 -2.280 1.00 0.00 C ATOM 370 CG2 VAL A 27 11.179 -0.062 0.146 1.00 0.00 C ATOM 0 H VAL A 27 10.700 3.232 -0.685 1.00 0.00 H new ATOM 0 HA VAL A 27 12.854 1.403 -1.492 1.00 0.00 H new ATOM 0 HB VAL A 27 9.890 0.717 -1.366 1.00 0.00 H new ATOM 0 HG11 VAL A 27 10.617 -1.533 -2.061 1.00 0.00 H new ATOM 0 HG12 VAL A 27 11.015 -0.304 -3.285 1.00 0.00 H new ATOM 0 HG13 VAL A 27 12.288 -0.940 -2.216 1.00 0.00 H new ATOM 0 HG21 VAL A 27 10.561 -0.940 0.332 1.00 0.00 H new ATOM 0 HG22 VAL A 27 12.230 -0.325 0.266 1.00 0.00 H new ATOM 0 HG23 VAL A 27 10.918 0.722 0.857 1.00 0.00 H new ATOM 380 N PRO A 28 12.542 2.688 -3.649 1.00 0.00 N ATOM 381 CA PRO A 28 12.407 3.245 -4.999 1.00 0.00 C ATOM 382 C PRO A 28 12.073 2.178 -6.035 1.00 0.00 C ATOM 383 O PRO A 28 12.651 1.092 -6.031 1.00 0.00 O ATOM 384 CB PRO A 28 13.769 3.892 -5.269 1.00 0.00 C ATOM 385 CG PRO A 28 14.710 3.169 -4.366 1.00 0.00 C ATOM 386 CD PRO A 28 13.914 2.863 -3.124 1.00 0.00 C ATOM 0 HA PRO A 28 11.583 3.956 -5.069 1.00 0.00 H new ATOM 0 HB2 PRO A 28 14.060 3.784 -6.314 1.00 0.00 H new ATOM 0 HB3 PRO A 28 13.751 4.960 -5.052 1.00 0.00 H new ATOM 0 HG2 PRO A 28 15.078 2.255 -4.832 1.00 0.00 H new ATOM 0 HG3 PRO A 28 15.581 3.782 -4.134 1.00 0.00 H new ATOM 0 HD2 PRO A 28 14.274 1.963 -2.624 1.00 0.00 H new ATOM 0 HD3 PRO A 28 13.969 3.674 -2.398 1.00 0.00 H new ATOM 394 N GLY A 29 11.134 2.495 -6.923 1.00 0.00 N ATOM 395 CA GLY A 29 10.758 1.562 -7.970 1.00 0.00 C ATOM 396 C GLY A 29 9.807 0.491 -7.476 1.00 0.00 C ATOM 397 O GLY A 29 10.025 -0.697 -7.711 1.00 0.00 O ATOM 0 H GLY A 29 10.628 3.380 -6.936 1.00 0.00 H new ATOM 0 HA2 GLY A 29 10.291 2.109 -8.789 1.00 0.00 H new ATOM 0 HA3 GLY A 29 11.655 1.090 -8.372 1.00 0.00 H new ATOM 401 N ALA A 30 8.750 0.910 -6.787 1.00 0.00 N ATOM 402 CA ALA A 30 7.777 -0.025 -6.237 1.00 0.00 C ATOM 403 C ALA A 30 6.430 0.106 -6.940 1.00 0.00 C ATOM 404 O ALA A 30 5.930 1.212 -7.144 1.00 0.00 O ATOM 405 CB ALA A 30 7.617 0.202 -4.741 1.00 0.00 C ATOM 0 H ALA A 30 8.546 1.891 -6.597 1.00 0.00 H new ATOM 0 HA ALA A 30 8.147 -1.037 -6.404 1.00 0.00 H new ATOM 0 HB1 ALA A 30 6.887 -0.503 -4.342 1.00 0.00 H new ATOM 0 HB2 ALA A 30 8.576 0.051 -4.245 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.273 1.221 -4.562 1.00 0.00 H new ATOM 411 N ALA A 31 5.850 -1.030 -7.312 1.00 0.00 N ATOM 412 CA ALA A 31 4.544 -1.045 -7.960 1.00 0.00 C ATOM 413 C ALA A 31 3.437 -1.352 -6.958 1.00 0.00 C ATOM 414 O ALA A 31 3.464 -2.382 -6.283 1.00 0.00 O ATOM 415 CB ALA A 31 4.529 -2.059 -9.094 1.00 0.00 C ATOM 0 H ALA A 31 6.264 -1.952 -7.176 1.00 0.00 H new ATOM 0 HA ALA A 31 4.359 -0.053 -8.372 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.548 -2.059 -9.569 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.288 -1.793 -9.830 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.740 -3.052 -8.697 1.00 0.00 H new ATOM 421 N VAL A 32 2.464 -0.452 -6.863 1.00 0.00 N ATOM 422 CA VAL A 32 1.334 -0.639 -5.960 1.00 0.00 C ATOM 423 C VAL A 32 0.015 -0.655 -6.725 1.00 0.00 C ATOM 424 O VAL A 32 -0.316 0.298 -7.432 1.00 0.00 O ATOM 425 CB VAL A 32 1.280 0.464 -4.886 1.00 0.00 C ATOM 426 CG1 VAL A 32 0.072 0.269 -3.983 1.00 0.00 C ATOM 427 CG2 VAL A 32 2.562 0.471 -4.066 1.00 0.00 C ATOM 0 H VAL A 32 2.435 0.414 -7.400 1.00 0.00 H new ATOM 0 HA VAL A 32 1.479 -1.602 -5.471 1.00 0.00 H new ATOM 0 HB VAL A 32 1.185 1.428 -5.386 1.00 0.00 H new ATOM 0 HG11 VAL A 32 0.050 1.057 -3.230 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.839 0.311 -4.580 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.139 -0.701 -3.491 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.507 1.256 -3.312 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.686 -0.495 -3.576 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.412 0.657 -4.722 1.00 0.00 H new ATOM 437 N HIS A 33 -0.734 -1.742 -6.579 1.00 0.00 N ATOM 438 CA HIS A 33 -2.070 -1.833 -7.156 1.00 0.00 C ATOM 439 C HIS A 33 -3.109 -2.122 -6.078 1.00 0.00 C ATOM 440 O HIS A 33 -3.078 -3.173 -5.437 1.00 0.00 O ATOM 441 CB HIS A 33 -2.120 -2.916 -8.239 1.00 0.00 C ATOM 442 CG HIS A 33 -1.148 -2.695 -9.356 1.00 0.00 C ATOM 443 ND1 HIS A 33 -1.432 -1.894 -10.442 1.00 0.00 N ATOM 444 CD2 HIS A 33 0.103 -3.170 -9.555 1.00 0.00 C ATOM 445 CE1 HIS A 33 -0.395 -1.887 -11.262 1.00 0.00 C ATOM 446 NE2 HIS A 33 0.549 -2.653 -10.747 1.00 0.00 N ATOM 0 H HIS A 33 -0.439 -2.573 -6.066 1.00 0.00 H new ATOM 0 HA HIS A 33 -2.303 -0.871 -7.613 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -1.920 -3.885 -7.781 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -3.129 -2.960 -8.650 1.00 0.00 H new ATOM 0 HD2 HIS A 33 0.649 -3.832 -8.899 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -0.331 -1.346 -12.195 1.00 0.00 H new ATOM 0 HE2 HIS A 33 1.461 -2.832 -11.166 1.00 0.00 H new ATOM 453 N ALA A 34 -4.029 -1.183 -5.882 1.00 0.00 N ATOM 454 CA ALA A 34 -5.015 -1.290 -4.813 1.00 0.00 C ATOM 455 C ALA A 34 -6.430 -1.361 -5.377 1.00 0.00 C ATOM 456 O ALA A 34 -6.738 -0.730 -6.388 1.00 0.00 O ATOM 457 CB ALA A 34 -4.885 -0.114 -3.855 1.00 0.00 C ATOM 0 H ALA A 34 -4.112 -0.340 -6.450 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.823 -2.213 -4.266 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -5.627 -0.207 -3.062 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.886 -0.109 -3.418 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -5.048 0.817 -4.398 1.00 0.00 H new ATOM 463 N ASP A 35 -7.286 -2.134 -4.719 1.00 0.00 N ATOM 464 CA ASP A 35 -8.680 -2.253 -5.128 1.00 0.00 C ATOM 465 C ASP A 35 -9.616 -2.053 -3.940 1.00 0.00 C ATOM 466 O ASP A 35 -9.682 -2.875 -3.025 1.00 0.00 O ATOM 467 CB ASP A 35 -8.936 -3.615 -5.777 1.00 0.00 C ATOM 468 CG ASP A 35 -10.345 -3.798 -6.323 1.00 0.00 C ATOM 469 OD1 ASP A 35 -11.149 -2.914 -6.145 1.00 0.00 O ATOM 470 OD2 ASP A 35 -10.564 -4.742 -7.044 1.00 0.00 O ATOM 0 H ASP A 35 -7.039 -2.688 -3.899 1.00 0.00 H new ATOM 0 HA ASP A 35 -8.882 -1.472 -5.861 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -8.224 -3.756 -6.590 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -8.740 -4.396 -5.042 1.00 0.00 H new ATOM 475 N PRO A 36 -10.356 -0.934 -3.951 1.00 0.00 N ATOM 476 CA PRO A 36 -11.246 -0.564 -2.846 1.00 0.00 C ATOM 477 C PRO A 36 -12.535 -1.378 -2.842 1.00 0.00 C ATOM 478 O PRO A 36 -13.245 -1.429 -1.838 1.00 0.00 O ATOM 479 CB PRO A 36 -11.548 0.912 -3.115 1.00 0.00 C ATOM 480 CG PRO A 36 -11.390 1.069 -4.587 1.00 0.00 C ATOM 481 CD PRO A 36 -10.280 0.138 -4.988 1.00 0.00 C ATOM 0 HA PRO A 36 -10.789 -0.751 -1.874 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -12.556 1.174 -2.795 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -10.862 1.562 -2.572 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -12.315 0.820 -5.107 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -11.147 2.100 -4.845 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -10.428 -0.259 -5.992 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -9.311 0.638 -4.983 1.00 0.00 H new ATOM 489 N ALA A 37 -12.831 -2.015 -3.969 1.00 0.00 N ATOM 490 CA ALA A 37 -13.983 -2.902 -4.066 1.00 0.00 C ATOM 491 C ALA A 37 -13.770 -4.169 -3.244 1.00 0.00 C ATOM 492 O ALA A 37 -14.699 -4.676 -2.614 1.00 0.00 O ATOM 493 CB ALA A 37 -14.259 -3.256 -5.521 1.00 0.00 C ATOM 0 H ALA A 37 -12.288 -1.933 -4.829 1.00 0.00 H new ATOM 0 HA ALA A 37 -14.848 -2.377 -3.662 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -15.122 -3.919 -5.577 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -14.464 -2.346 -6.084 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -13.389 -3.757 -5.945 1.00 0.00 H new ATOM 499 N SER A 38 -12.541 -4.675 -3.253 1.00 0.00 N ATOM 500 CA SER A 38 -12.170 -5.795 -2.396 1.00 0.00 C ATOM 501 C SER A 38 -11.499 -5.303 -1.117 1.00 0.00 C ATOM 502 O SER A 38 -11.291 -6.069 -0.177 1.00 0.00 O ATOM 503 CB SER A 38 -11.254 -6.745 -3.143 1.00 0.00 C ATOM 504 OG SER A 38 -10.046 -6.136 -3.504 1.00 0.00 O ATOM 0 H SER A 38 -11.786 -4.327 -3.844 1.00 0.00 H new ATOM 0 HA SER A 38 -13.078 -6.329 -2.117 1.00 0.00 H new ATOM 0 HB2 SER A 38 -11.049 -7.615 -2.520 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.759 -7.106 -4.039 1.00 0.00 H new ATOM 0 HG SER A 38 -10.079 -5.184 -3.276 1.00 0.00 H new ATOM 510 N ARG A 39 -11.165 -4.016 -1.090 1.00 0.00 N ATOM 511 CA ARG A 39 -10.542 -3.414 0.081 1.00 0.00 C ATOM 512 C ARG A 39 -9.163 -4.017 0.334 1.00 0.00 C ATOM 513 O ARG A 39 -8.767 -4.233 1.479 1.00 0.00 O ATOM 514 CB ARG A 39 -11.427 -3.504 1.315 1.00 0.00 C ATOM 515 CG ARG A 39 -12.754 -2.770 1.205 1.00 0.00 C ATOM 516 CD ARG A 39 -13.616 -2.879 2.409 1.00 0.00 C ATOM 517 NE ARG A 39 -14.950 -2.322 2.249 1.00 0.00 N ATOM 518 CZ ARG A 39 -15.908 -2.347 3.195 1.00 0.00 C ATOM 519 NH1 ARG A 39 -15.701 -2.931 4.355 1.00 0.00 N ATOM 520 NH2 ARG A 39 -17.073 -1.788 2.918 1.00 0.00 N ATOM 0 H ARG A 39 -11.316 -3.371 -1.866 1.00 0.00 H new ATOM 0 HA ARG A 39 -10.412 -2.353 -0.131 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -11.626 -4.555 1.526 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -10.878 -3.106 2.168 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -12.557 -1.716 1.008 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -13.300 -3.158 0.345 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -13.706 -3.930 2.682 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -13.123 -2.375 3.240 1.00 0.00 H new ATOM 0 HE ARG A 39 -15.176 -1.881 1.357 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -14.803 -3.375 4.550 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -16.438 -2.940 5.060 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -17.227 -1.354 2.008 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -17.818 -1.791 3.614 1.00 0.00 H new ATOM 534 N THR A 40 -8.433 -4.287 -0.745 1.00 0.00 N ATOM 535 CA THR A 40 -7.128 -4.925 -0.646 1.00 0.00 C ATOM 536 C THR A 40 -6.056 -4.093 -1.339 1.00 0.00 C ATOM 537 O THR A 40 -6.349 -3.316 -2.248 1.00 0.00 O ATOM 538 CB THR A 40 -7.142 -6.339 -1.254 1.00 0.00 C ATOM 539 OG1 THR A 40 -7.520 -6.265 -2.635 1.00 0.00 O ATOM 540 CG2 THR A 40 -8.125 -7.231 -0.510 1.00 0.00 C ATOM 0 H THR A 40 -8.726 -4.073 -1.698 1.00 0.00 H new ATOM 0 HA THR A 40 -6.894 -5.001 0.416 1.00 0.00 H new ATOM 0 HB THR A 40 -6.143 -6.765 -1.166 1.00 0.00 H new ATOM 0 HG1 THR A 40 -8.478 -6.068 -2.702 1.00 0.00 H new ATOM 0 HG21 THR A 40 -8.121 -8.226 -0.954 1.00 0.00 H new ATOM 0 HG22 THR A 40 -7.833 -7.300 0.538 1.00 0.00 H new ATOM 0 HG23 THR A 40 -9.126 -6.806 -0.580 1.00 0.00 H new ATOM 548 N VAL A 41 -4.809 -4.263 -0.908 1.00 0.00 N ATOM 549 CA VAL A 41 -3.679 -3.614 -1.561 1.00 0.00 C ATOM 550 C VAL A 41 -2.603 -4.630 -1.936 1.00 0.00 C ATOM 551 O VAL A 41 -2.170 -5.428 -1.104 1.00 0.00 O ATOM 552 CB VAL A 41 -3.056 -2.528 -0.665 1.00 0.00 C ATOM 553 CG1 VAL A 41 -1.863 -1.887 -1.356 1.00 0.00 C ATOM 554 CG2 VAL A 41 -4.093 -1.472 -0.309 1.00 0.00 C ATOM 0 H VAL A 41 -4.557 -4.845 -0.109 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.065 -3.146 -2.467 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.710 -2.998 0.256 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.435 -1.122 -0.708 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.111 -2.648 -1.564 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.186 -1.431 -2.292 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.636 -0.712 0.325 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.467 -1.007 -1.221 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.920 -1.940 0.225 1.00 0.00 H new ATOM 564 N VAL A 42 -2.176 -4.593 -3.193 1.00 0.00 N ATOM 565 CA VAL A 42 -1.105 -5.464 -3.663 1.00 0.00 C ATOM 566 C VAL A 42 0.162 -4.669 -3.954 1.00 0.00 C ATOM 567 O VAL A 42 0.145 -3.715 -4.733 1.00 0.00 O ATOM 568 CB VAL A 42 -1.518 -6.236 -4.930 1.00 0.00 C ATOM 569 CG1 VAL A 42 -0.370 -7.104 -5.422 1.00 0.00 C ATOM 570 CG2 VAL A 42 -2.750 -7.087 -4.658 1.00 0.00 C ATOM 0 H VAL A 42 -2.555 -3.969 -3.905 1.00 0.00 H new ATOM 0 HA VAL A 42 -0.907 -6.178 -2.864 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.763 -5.514 -5.709 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.679 -7.643 -6.318 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.488 -6.474 -5.655 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -0.095 -7.818 -4.646 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.028 -7.625 -5.564 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.531 -7.801 -3.864 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.575 -6.445 -4.350 1.00 0.00 H new ATOM 580 N VAL A 43 1.263 -5.067 -3.324 1.00 0.00 N ATOM 581 CA VAL A 43 2.533 -4.370 -3.488 1.00 0.00 C ATOM 582 C VAL A 43 3.608 -5.305 -4.027 1.00 0.00 C ATOM 583 O VAL A 43 3.789 -6.414 -3.526 1.00 0.00 O ATOM 584 CB VAL A 43 3.018 -3.758 -2.161 1.00 0.00 C ATOM 585 CG1 VAL A 43 4.330 -3.016 -2.365 1.00 0.00 C ATOM 586 CG2 VAL A 43 1.963 -2.821 -1.589 1.00 0.00 C ATOM 0 H VAL A 43 1.301 -5.869 -2.695 1.00 0.00 H new ATOM 0 HA VAL A 43 2.360 -3.568 -4.205 1.00 0.00 H new ATOM 0 HB VAL A 43 3.185 -4.567 -1.450 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.658 -2.590 -1.417 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.087 -3.709 -2.733 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.187 -2.217 -3.092 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.323 -2.397 -0.651 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.767 -2.017 -2.299 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.043 -3.377 -1.407 1.00 0.00 H new ATOM 596 N GLY A 44 4.320 -4.851 -5.055 1.00 0.00 N ATOM 597 CA GLY A 44 5.331 -5.682 -5.682 1.00 0.00 C ATOM 598 C GLY A 44 6.584 -5.806 -4.837 1.00 0.00 C ATOM 599 O GLY A 44 6.555 -5.564 -3.631 1.00 0.00 O ATOM 0 H GLY A 44 4.214 -3.923 -5.464 1.00 0.00 H new ATOM 0 HA2 GLY A 44 4.919 -6.675 -5.864 1.00 0.00 H new ATOM 0 HA3 GLY A 44 5.591 -5.262 -6.653 1.00 0.00 H new ATOM 603 N GLY A 45 7.689 -6.187 -5.472 1.00 0.00 N ATOM 604 CA GLY A 45 8.922 -6.416 -4.744 1.00 0.00 C ATOM 605 C GLY A 45 9.337 -5.217 -3.915 1.00 0.00 C ATOM 606 O GLY A 45 9.625 -4.149 -4.457 1.00 0.00 O ATOM 0 H GLY A 45 7.751 -6.341 -6.478 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.800 -7.280 -4.091 1.00 0.00 H new ATOM 0 HA3 GLY A 45 9.717 -6.659 -5.449 1.00 0.00 H new ATOM 610 N VAL A 46 9.370 -5.391 -2.597 1.00 0.00 N ATOM 611 CA VAL A 46 9.688 -4.296 -1.690 1.00 0.00 C ATOM 612 C VAL A 46 10.474 -4.796 -0.482 1.00 0.00 C ATOM 613 O VAL A 46 10.623 -6.001 -0.280 1.00 0.00 O ATOM 614 CB VAL A 46 8.416 -3.579 -1.202 1.00 0.00 C ATOM 615 CG1 VAL A 46 7.785 -2.784 -2.335 1.00 0.00 C ATOM 616 CG2 VAL A 46 7.421 -4.582 -0.638 1.00 0.00 C ATOM 0 H VAL A 46 9.180 -6.280 -2.135 1.00 0.00 H new ATOM 0 HA VAL A 46 10.298 -3.588 -2.251 1.00 0.00 H new ATOM 0 HB VAL A 46 8.695 -2.887 -0.408 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.887 -2.284 -1.972 1.00 0.00 H new ATOM 0 HG12 VAL A 46 8.494 -2.039 -2.696 1.00 0.00 H new ATOM 0 HG13 VAL A 46 7.521 -3.458 -3.149 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.528 -4.057 -0.298 1.00 0.00 H new ATOM 0 HG22 VAL A 46 7.148 -5.298 -1.413 1.00 0.00 H new ATOM 0 HG23 VAL A 46 7.873 -5.110 0.201 1.00 0.00 H new ATOM 626 N SER A 47 10.976 -3.860 0.318 1.00 0.00 N ATOM 627 CA SER A 47 11.617 -4.200 1.583 1.00 0.00 C ATOM 628 C SER A 47 10.638 -4.908 2.514 1.00 0.00 C ATOM 629 O SER A 47 9.487 -5.150 2.156 1.00 0.00 O ATOM 630 CB SER A 47 12.169 -2.952 2.244 1.00 0.00 C ATOM 631 OG SER A 47 11.151 -2.105 2.702 1.00 0.00 O ATOM 0 H SER A 47 10.951 -2.861 0.113 1.00 0.00 H new ATOM 0 HA SER A 47 12.443 -4.881 1.377 1.00 0.00 H new ATOM 0 HB2 SER A 47 12.807 -3.237 3.081 1.00 0.00 H new ATOM 0 HB3 SER A 47 12.796 -2.413 1.534 1.00 0.00 H new ATOM 0 HG SER A 47 11.548 -1.314 3.123 1.00 0.00 H new ATOM 637 N ASP A 48 11.108 -5.238 3.714 1.00 0.00 N ATOM 638 CA ASP A 48 10.346 -6.083 4.626 1.00 0.00 C ATOM 639 C ASP A 48 8.856 -5.758 4.552 1.00 0.00 C ATOM 640 O ASP A 48 8.443 -4.628 4.810 1.00 0.00 O ATOM 641 CB ASP A 48 10.852 -5.919 6.061 1.00 0.00 C ATOM 642 CG ASP A 48 10.122 -6.776 7.087 1.00 0.00 C ATOM 643 OD1 ASP A 48 9.161 -7.412 6.725 1.00 0.00 O ATOM 644 OD2 ASP A 48 10.621 -6.912 8.179 1.00 0.00 O ATOM 0 H ASP A 48 12.012 -4.933 4.076 1.00 0.00 H new ATOM 0 HA ASP A 48 10.487 -7.120 4.322 1.00 0.00 H new ATOM 0 HB2 ASP A 48 11.914 -6.165 6.089 1.00 0.00 H new ATOM 0 HB3 ASP A 48 10.760 -4.872 6.349 1.00 0.00 H new ATOM 649 N ALA A 49 8.055 -6.758 4.195 1.00 0.00 N ATOM 650 CA ALA A 49 6.633 -6.547 3.954 1.00 0.00 C ATOM 651 C ALA A 49 5.952 -5.938 5.175 1.00 0.00 C ATOM 652 O ALA A 49 4.991 -5.182 5.048 1.00 0.00 O ATOM 653 CB ALA A 49 5.963 -7.859 3.571 1.00 0.00 C ATOM 0 H ALA A 49 8.367 -7.721 4.067 1.00 0.00 H new ATOM 0 HA ALA A 49 6.530 -5.844 3.127 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.901 -7.687 3.394 1.00 0.00 H new ATOM 0 HB2 ALA A 49 6.423 -8.252 2.664 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.084 -8.579 4.380 1.00 0.00 H new ATOM 659 N ALA A 50 6.457 -6.277 6.357 1.00 0.00 N ATOM 660 CA ALA A 50 5.916 -5.739 7.599 1.00 0.00 C ATOM 661 C ALA A 50 6.066 -4.222 7.652 1.00 0.00 C ATOM 662 O ALA A 50 5.142 -3.511 8.050 1.00 0.00 O ATOM 663 CB ALA A 50 6.604 -6.380 8.795 1.00 0.00 C ATOM 0 H ALA A 50 7.239 -6.921 6.480 1.00 0.00 H new ATOM 0 HA ALA A 50 4.852 -5.975 7.635 1.00 0.00 H new ATOM 0 HB1 ALA A 50 6.190 -5.969 9.716 1.00 0.00 H new ATOM 0 HB2 ALA A 50 6.442 -7.458 8.774 1.00 0.00 H new ATOM 0 HB3 ALA A 50 7.673 -6.173 8.754 1.00 0.00 H new ATOM 669 N HIS A 51 7.233 -3.732 7.248 1.00 0.00 N ATOM 670 CA HIS A 51 7.486 -2.297 7.207 1.00 0.00 C ATOM 671 C HIS A 51 6.647 -1.628 6.121 1.00 0.00 C ATOM 672 O HIS A 51 6.160 -0.513 6.300 1.00 0.00 O ATOM 673 CB HIS A 51 8.974 -2.015 6.972 1.00 0.00 C ATOM 674 CG HIS A 51 9.315 -0.557 6.957 1.00 0.00 C ATOM 675 ND1 HIS A 51 9.188 0.248 8.070 1.00 0.00 N ATOM 676 CD2 HIS A 51 9.778 0.241 5.966 1.00 0.00 C ATOM 677 CE1 HIS A 51 9.558 1.479 7.763 1.00 0.00 C ATOM 678 NE2 HIS A 51 9.920 1.501 6.493 1.00 0.00 N ATOM 0 H HIS A 51 8.018 -4.308 6.944 1.00 0.00 H new ATOM 0 HA HIS A 51 7.200 -1.879 8.172 1.00 0.00 H new ATOM 0 HB2 HIS A 51 9.556 -2.507 7.752 1.00 0.00 H new ATOM 0 HB3 HIS A 51 9.273 -2.459 6.023 1.00 0.00 H new ATOM 0 HD2 HIS A 51 9.995 -0.058 4.951 1.00 0.00 H new ATOM 0 HE1 HIS A 51 9.563 2.323 8.436 1.00 0.00 H new ATOM 0 HE2 HIS A 51 10.251 2.321 5.986 1.00 0.00 H new ATOM 685 N ILE A 52 6.484 -2.319 4.997 1.00 0.00 N ATOM 686 CA ILE A 52 5.670 -1.810 3.901 1.00 0.00 C ATOM 687 C ILE A 52 4.205 -1.699 4.311 1.00 0.00 C ATOM 688 O ILE A 52 3.507 -0.768 3.908 1.00 0.00 O ATOM 689 CB ILE A 52 5.777 -2.711 2.656 1.00 0.00 C ATOM 690 CG1 ILE A 52 7.225 -2.774 2.169 1.00 0.00 C ATOM 691 CG2 ILE A 52 4.864 -2.198 1.552 1.00 0.00 C ATOM 692 CD1 ILE A 52 7.794 -1.425 1.784 1.00 0.00 C ATOM 0 H ILE A 52 6.905 -3.232 4.822 1.00 0.00 H new ATOM 0 HA ILE A 52 6.052 -0.819 3.656 1.00 0.00 H new ATOM 0 HB ILE A 52 5.460 -3.718 2.926 1.00 0.00 H new ATOM 0 HG12 ILE A 52 7.844 -3.210 2.953 1.00 0.00 H new ATOM 0 HG13 ILE A 52 7.282 -3.442 1.309 1.00 0.00 H new ATOM 0 HG21 ILE A 52 4.950 -2.845 0.679 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.832 -2.199 1.903 1.00 0.00 H new ATOM 0 HG23 ILE A 52 5.155 -1.183 1.282 1.00 0.00 H new ATOM 0 HD11 ILE A 52 8.824 -1.547 1.449 1.00 0.00 H new ATOM 0 HD12 ILE A 52 7.198 -0.995 0.979 1.00 0.00 H new ATOM 0 HD13 ILE A 52 7.770 -0.760 2.647 1.00 0.00 H new ATOM 704 N ALA A 53 3.747 -2.653 5.113 1.00 0.00 N ATOM 705 CA ALA A 53 2.397 -2.607 5.662 1.00 0.00 C ATOM 706 C ALA A 53 2.230 -1.420 6.606 1.00 0.00 C ATOM 707 O ALA A 53 1.176 -0.787 6.642 1.00 0.00 O ATOM 708 CB ALA A 53 2.075 -3.906 6.384 1.00 0.00 C ATOM 0 H ALA A 53 4.291 -3.468 5.398 1.00 0.00 H new ATOM 0 HA ALA A 53 1.699 -2.483 4.834 1.00 0.00 H new ATOM 0 HB1 ALA A 53 1.064 -3.857 6.788 1.00 0.00 H new ATOM 0 HB2 ALA A 53 2.145 -4.738 5.684 1.00 0.00 H new ATOM 0 HB3 ALA A 53 2.784 -4.055 7.198 1.00 0.00 H new ATOM 714 N GLU A 54 3.278 -1.127 7.372 1.00 0.00 N ATOM 715 CA GLU A 54 3.293 0.056 8.225 1.00 0.00 C ATOM 716 C GLU A 54 3.245 1.331 7.389 1.00 0.00 C ATOM 717 O GLU A 54 2.621 2.318 7.779 1.00 0.00 O ATOM 718 CB GLU A 54 4.533 0.056 9.121 1.00 0.00 C ATOM 719 CG GLU A 54 4.510 -0.988 10.228 1.00 0.00 C ATOM 720 CD GLU A 54 5.820 -1.032 10.965 1.00 0.00 C ATOM 721 OE1 GLU A 54 6.726 -0.340 10.568 1.00 0.00 O ATOM 722 OE2 GLU A 54 5.880 -1.670 11.990 1.00 0.00 O ATOM 0 H GLU A 54 4.126 -1.692 7.419 1.00 0.00 H new ATOM 0 HA GLU A 54 2.405 0.027 8.857 1.00 0.00 H new ATOM 0 HB2 GLU A 54 5.414 -0.109 8.501 1.00 0.00 H new ATOM 0 HB3 GLU A 54 4.641 1.043 9.571 1.00 0.00 H new ATOM 0 HG2 GLU A 54 3.705 -0.762 10.927 1.00 0.00 H new ATOM 0 HG3 GLU A 54 4.297 -1.968 9.802 1.00 0.00 H new ATOM 729 N ILE A 55 3.911 1.302 6.239 1.00 0.00 N ATOM 730 CA ILE A 55 3.878 2.424 5.310 1.00 0.00 C ATOM 731 C ILE A 55 2.474 2.634 4.750 1.00 0.00 C ATOM 732 O ILE A 55 2.025 3.767 4.583 1.00 0.00 O ATOM 733 CB ILE A 55 4.862 2.221 4.144 1.00 0.00 C ATOM 734 CG1 ILE A 55 6.306 2.307 4.642 1.00 0.00 C ATOM 735 CG2 ILE A 55 4.610 3.248 3.050 1.00 0.00 C ATOM 736 CD1 ILE A 55 7.333 1.875 3.620 1.00 0.00 C ATOM 0 H ILE A 55 4.480 0.514 5.929 1.00 0.00 H new ATOM 0 HA ILE A 55 4.177 3.308 5.873 1.00 0.00 H new ATOM 0 HB ILE A 55 4.702 1.228 3.725 1.00 0.00 H new ATOM 0 HG12 ILE A 55 6.516 3.334 4.942 1.00 0.00 H new ATOM 0 HG13 ILE A 55 6.411 1.687 5.532 1.00 0.00 H new ATOM 0 HG21 ILE A 55 5.314 3.090 2.233 1.00 0.00 H new ATOM 0 HG22 ILE A 55 3.592 3.140 2.677 1.00 0.00 H new ATOM 0 HG23 ILE A 55 4.743 4.251 3.455 1.00 0.00 H new ATOM 0 HD11 ILE A 55 8.332 1.964 4.048 1.00 0.00 H new ATOM 0 HD12 ILE A 55 7.151 0.838 3.337 1.00 0.00 H new ATOM 0 HD13 ILE A 55 7.258 2.511 2.738 1.00 0.00 H new ATOM 748 N ILE A 56 1.787 1.532 4.465 1.00 0.00 N ATOM 749 CA ILE A 56 0.409 1.593 3.994 1.00 0.00 C ATOM 750 C ILE A 56 -0.497 2.253 5.027 1.00 0.00 C ATOM 751 O ILE A 56 -1.327 3.097 4.693 1.00 0.00 O ATOM 752 CB ILE A 56 -0.136 0.192 3.663 1.00 0.00 C ATOM 753 CG1 ILE A 56 0.574 -0.382 2.435 1.00 0.00 C ATOM 754 CG2 ILE A 56 -1.640 0.246 3.438 1.00 0.00 C ATOM 755 CD1 ILE A 56 0.297 -1.850 2.199 1.00 0.00 C ATOM 0 H ILE A 56 2.162 0.587 4.552 1.00 0.00 H new ATOM 0 HA ILE A 56 0.412 2.194 3.084 1.00 0.00 H new ATOM 0 HB ILE A 56 0.060 -0.465 4.510 1.00 0.00 H new ATOM 0 HG12 ILE A 56 0.268 0.182 1.554 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.649 -0.238 2.548 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.009 -0.753 3.205 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -2.130 0.613 4.340 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.860 0.917 2.608 1.00 0.00 H new ATOM 0 HD11 ILE A 56 0.835 -2.184 1.312 1.00 0.00 H new ATOM 0 HD12 ILE A 56 0.629 -2.426 3.063 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.773 -1.999 2.053 1.00 0.00 H new ATOM 767 N THR A 57 -0.330 1.862 6.287 1.00 0.00 N ATOM 768 CA THR A 57 -1.099 2.451 7.377 1.00 0.00 C ATOM 769 C THR A 57 -0.664 3.888 7.643 1.00 0.00 C ATOM 770 O THR A 57 -1.439 4.695 8.155 1.00 0.00 O ATOM 771 CB THR A 57 -0.955 1.633 8.674 1.00 0.00 C ATOM 772 OG1 THR A 57 0.422 1.588 9.065 1.00 0.00 O ATOM 773 CG2 THR A 57 -1.467 0.215 8.469 1.00 0.00 C ATOM 0 H THR A 57 0.330 1.141 6.578 1.00 0.00 H new ATOM 0 HA THR A 57 -2.144 2.442 7.067 1.00 0.00 H new ATOM 0 HB THR A 57 -1.545 2.113 9.455 1.00 0.00 H new ATOM 0 HG1 THR A 57 0.982 1.909 8.328 1.00 0.00 H new ATOM 0 HG21 THR A 57 -1.358 -0.349 9.395 1.00 0.00 H new ATOM 0 HG22 THR A 57 -2.519 0.245 8.185 1.00 0.00 H new ATOM 0 HG23 THR A 57 -0.892 -0.269 7.680 1.00 0.00 H new ATOM 781 N ALA A 58 0.578 4.201 7.291 1.00 0.00 N ATOM 782 CA ALA A 58 1.089 5.559 7.417 1.00 0.00 C ATOM 783 C ALA A 58 0.346 6.514 6.490 1.00 0.00 C ATOM 784 O ALA A 58 0.440 7.734 6.633 1.00 0.00 O ATOM 785 CB ALA A 58 2.582 5.592 7.124 1.00 0.00 C ATOM 0 H ALA A 58 1.250 3.531 6.916 1.00 0.00 H new ATOM 0 HA ALA A 58 0.924 5.888 8.443 1.00 0.00 H new ATOM 0 HB1 ALA A 58 2.950 6.613 7.222 1.00 0.00 H new ATOM 0 HB2 ALA A 58 3.106 4.948 7.831 1.00 0.00 H new ATOM 0 HB3 ALA A 58 2.761 5.238 6.109 1.00 0.00 H new ATOM 791 N ALA A 59 -0.393 5.953 5.539 1.00 0.00 N ATOM 792 CA ALA A 59 -1.206 6.752 4.630 1.00 0.00 C ATOM 793 C ALA A 59 -2.491 7.216 5.307 1.00 0.00 C ATOM 794 O ALA A 59 -3.331 7.867 4.687 1.00 0.00 O ATOM 795 CB ALA A 59 -1.527 5.959 3.372 1.00 0.00 C ATOM 0 H ALA A 59 -0.446 4.947 5.378 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.633 7.636 4.352 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -2.134 6.568 2.703 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -0.600 5.683 2.870 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -2.077 5.057 3.641 1.00 0.00 H new ATOM 801 N GLY A 60 -2.639 6.876 6.584 1.00 0.00 N ATOM 802 CA GLY A 60 -3.806 7.299 7.335 1.00 0.00 C ATOM 803 C GLY A 60 -4.870 6.222 7.406 1.00 0.00 C ATOM 804 O GLY A 60 -6.040 6.511 7.656 1.00 0.00 O ATOM 0 H GLY A 60 -1.971 6.315 7.112 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -3.504 7.574 8.345 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -4.227 8.192 6.874 1.00 0.00 H new ATOM 808 N TYR A 61 -4.464 4.975 7.186 1.00 0.00 N ATOM 809 CA TYR A 61 -5.405 3.863 7.137 1.00 0.00 C ATOM 810 C TYR A 61 -5.383 3.074 8.443 1.00 0.00 C ATOM 811 O TYR A 61 -4.328 2.875 9.045 1.00 0.00 O ATOM 812 CB TYR A 61 -5.085 2.941 5.959 1.00 0.00 C ATOM 813 CG TYR A 61 -5.169 3.619 4.609 1.00 0.00 C ATOM 814 CD1 TYR A 61 -5.947 4.754 4.429 1.00 0.00 C ATOM 815 CD2 TYR A 61 -4.468 3.124 3.520 1.00 0.00 C ATOM 816 CE1 TYR A 61 -6.029 5.377 3.199 1.00 0.00 C ATOM 817 CE2 TYR A 61 -4.541 3.740 2.284 1.00 0.00 C ATOM 818 CZ TYR A 61 -5.322 4.866 2.128 1.00 0.00 C ATOM 819 OH TYR A 61 -5.398 5.483 0.900 1.00 0.00 O ATOM 0 H TYR A 61 -3.490 4.710 7.039 1.00 0.00 H new ATOM 0 HA TYR A 61 -6.405 4.274 7.000 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -4.081 2.536 6.089 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -5.774 2.096 5.974 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -6.498 5.157 5.266 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -3.855 2.243 3.639 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -6.642 6.258 3.075 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -3.989 3.341 1.445 1.00 0.00 H new ATOM 0 HH TYR A 61 -6.181 5.149 0.414 1.00 0.00 H new ATOM 829 N THR A 62 -6.557 2.624 8.875 1.00 0.00 N ATOM 830 CA THR A 62 -6.669 1.816 10.083 1.00 0.00 C ATOM 831 C THR A 62 -7.383 0.500 9.798 1.00 0.00 C ATOM 832 O THR A 62 -8.547 0.308 10.150 1.00 0.00 O ATOM 833 CB THR A 62 -7.421 2.566 11.198 1.00 0.00 C ATOM 834 OG1 THR A 62 -8.725 2.935 10.733 1.00 0.00 O ATOM 835 CG2 THR A 62 -6.660 3.818 11.606 1.00 0.00 C ATOM 0 H THR A 62 -7.444 2.806 8.406 1.00 0.00 H new ATOM 0 HA THR A 62 -5.653 1.611 10.420 1.00 0.00 H new ATOM 0 HB THR A 62 -7.508 1.908 12.063 1.00 0.00 H new ATOM 0 HG1 THR A 62 -8.646 3.402 9.875 1.00 0.00 H new ATOM 0 HG21 THR A 62 -7.206 4.335 12.395 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.671 3.540 11.972 1.00 0.00 H new ATOM 0 HG23 THR A 62 -6.556 4.478 10.744 1.00 0.00 H new