USER MOD reduce.3.24.130724 H: found=0, std=0, add=608, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 617 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 34 THR OG1 : rot 11:sc= 1.18 USER MOD Set 1.2: A 37 CYS SG : rot -160:sc= 1.28 USER MOD Single : A 3 SER OG : rot -114:sc= 0.718 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 CYS SG : rot 180:sc= 0.141 USER MOD Single : A 11 GLN : amide:sc= 0.999 K(o=1,f=-5.5!) USER MOD Single : A 12 THR OG1 : rot -58:sc= 0.125 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 HIS : no HD1:sc= -0.311 K(o=-0.31,f=-5.7!) USER MOD Single : A 21 THR OG1 : rot -110:sc= -1.29 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 MET CE :methyl -121:sc= -4.33! (180deg=-5.8!) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 170:sc= 1.18 (180deg=1.08) USER MOD Single : A 52 GLN : amide:sc= -0.34 K(o=-0.34,f=-2.5) USER MOD Single : A 54 ASN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 49:sc= 0.322 USER MOD Single : A 64 LYS NZ :NH3+ 145:sc= 1.03 (180deg=0.142) USER MOD Single : A 65 SER OG : rot 180:sc= 0.00217 USER MOD Single : A 69 MET CE :methyl 136:sc= -1.3 (180deg=-4.2!) USER MOD ----------------------------------------------------------------- ATOM 18 N PHE A 2 -1.905 4.255 10.456 1.00 61.32 N ATOM 19 CA PHE A 2 -2.438 3.158 9.677 1.00 64.22 C ATOM 20 C PHE A 2 -1.525 2.870 8.497 1.00 54.34 C ATOM 21 O PHE A 2 -1.573 3.546 7.471 1.00 20.43 O ATOM 22 CB PHE A 2 -3.860 3.456 9.198 1.00 72.34 C ATOM 23 CG PHE A 2 -4.565 2.244 8.650 1.00 72.12 C ATOM 24 CD1 PHE A 2 -5.150 1.324 9.507 1.00 60.54 C ATOM 25 CD2 PHE A 2 -4.642 2.024 7.286 1.00 12.34 C ATOM 26 CE1 PHE A 2 -5.795 0.206 9.011 1.00 4.03 C ATOM 27 CE2 PHE A 2 -5.285 0.909 6.784 1.00 43.32 C ATOM 28 CZ PHE A 2 -5.866 -0.001 7.649 1.00 72.14 C ATOM 0 HA PHE A 2 -2.484 2.275 10.315 1.00 64.22 H new ATOM 0 HB2 PHE A 2 -4.439 3.861 10.028 1.00 72.34 H new ATOM 0 HB3 PHE A 2 -3.824 4.227 8.428 1.00 72.34 H new ATOM 0 HD1 PHE A 2 -5.101 1.483 10.574 1.00 60.54 H new ATOM 0 HD2 PHE A 2 -4.194 2.733 6.605 1.00 12.34 H new ATOM 0 HE1 PHE A 2 -6.243 -0.505 9.690 1.00 4.03 H new ATOM 0 HE2 PHE A 2 -5.334 0.748 5.717 1.00 43.32 H new ATOM 0 HZ PHE A 2 -6.374 -0.871 7.259 1.00 72.14 H new ATOM 38 N SER A 3 -0.674 1.879 8.670 1.00 74.10 N ATOM 39 CA SER A 3 0.267 1.497 7.642 1.00 14.04 C ATOM 40 C SER A 3 -0.377 0.502 6.684 1.00 22.32 C ATOM 41 O SER A 3 -1.353 -0.165 7.036 1.00 33.00 O ATOM 42 CB SER A 3 1.508 0.880 8.290 1.00 41.43 C ATOM 43 OG SER A 3 2.016 1.716 9.321 1.00 24.41 O ATOM 0 H SER A 3 -0.617 1.320 9.522 1.00 74.10 H new ATOM 0 HA SER A 3 0.560 2.381 7.076 1.00 14.04 H new ATOM 0 HB2 SER A 3 1.259 -0.099 8.701 1.00 41.43 H new ATOM 0 HB3 SER A 3 2.277 0.722 7.534 1.00 41.43 H new ATOM 0 HG SER A 3 2.900 2.053 9.064 1.00 24.41 H new ATOM 49 N LEU A 4 0.175 0.399 5.480 1.00 0.20 N ATOM 50 CA LEU A 4 -0.312 -0.550 4.480 1.00 23.02 C ATOM 51 C LEU A 4 -0.229 -1.978 5.020 1.00 43.32 C ATOM 52 O LEU A 4 -0.972 -2.860 4.598 1.00 1.52 O ATOM 53 CB LEU A 4 0.500 -0.416 3.189 1.00 73.53 C ATOM 54 CG LEU A 4 -0.003 -1.247 2.006 1.00 32.00 C ATOM 55 CD1 LEU A 4 -1.435 -0.871 1.656 1.00 64.12 C ATOM 56 CD2 LEU A 4 0.906 -1.052 0.804 1.00 43.42 C ATOM 0 H LEU A 4 0.965 0.964 5.170 1.00 0.20 H new ATOM 0 HA LEU A 4 -1.356 -0.326 4.260 1.00 23.02 H new ATOM 0 HB2 LEU A 4 0.512 0.633 2.895 1.00 73.53 H new ATOM 0 HB3 LEU A 4 1.531 -0.700 3.398 1.00 73.53 H new ATOM 0 HG LEU A 4 0.014 -2.299 2.290 1.00 32.00 H new ATOM 0 HD11 LEU A 4 -1.774 -1.473 0.813 1.00 64.12 H new ATOM 0 HD12 LEU A 4 -2.080 -1.055 2.515 1.00 64.12 H new ATOM 0 HD13 LEU A 4 -1.479 0.185 1.389 1.00 64.12 H new ATOM 0 HD21 LEU A 4 0.538 -1.648 -0.031 1.00 43.42 H new ATOM 0 HD22 LEU A 4 0.915 0.001 0.522 1.00 43.42 H new ATOM 0 HD23 LEU A 4 1.918 -1.369 1.058 1.00 43.42 H new ATOM 68 N ARG A 5 0.686 -2.178 5.964 1.00 73.14 N ATOM 69 CA ARG A 5 0.834 -3.439 6.681 1.00 2.32 C ATOM 70 C ARG A 5 -0.489 -3.893 7.308 1.00 50.55 C ATOM 71 O ARG A 5 -0.775 -5.089 7.387 1.00 62.10 O ATOM 72 CB ARG A 5 1.873 -3.252 7.787 1.00 54.24 C ATOM 73 CG ARG A 5 2.131 -4.497 8.609 1.00 61.02 C ATOM 74 CD ARG A 5 2.716 -4.147 9.967 1.00 44.53 C ATOM 75 NE ARG A 5 1.783 -3.344 10.761 1.00 61.14 N ATOM 76 CZ ARG A 5 2.119 -2.655 11.848 1.00 72.44 C ATOM 77 NH1 ARG A 5 3.376 -2.616 12.265 1.00 44.12 N ATOM 78 NH2 ARG A 5 1.190 -1.976 12.505 1.00 33.03 N ATOM 0 H ARG A 5 1.352 -1.462 6.255 1.00 73.14 H new ATOM 0 HA ARG A 5 1.150 -4.204 5.972 1.00 2.32 H new ATOM 0 HB2 ARG A 5 2.811 -2.925 7.338 1.00 54.24 H new ATOM 0 HB3 ARG A 5 1.542 -2.453 8.451 1.00 54.24 H new ATOM 0 HG2 ARG A 5 1.200 -5.048 8.742 1.00 61.02 H new ATOM 0 HG3 ARG A 5 2.816 -5.154 8.073 1.00 61.02 H new ATOM 0 HD2 ARG A 5 2.960 -5.062 10.506 1.00 44.53 H new ATOM 0 HD3 ARG A 5 3.648 -3.598 9.833 1.00 44.53 H new ATOM 0 HE ARG A 5 0.809 -3.311 10.460 1.00 61.14 H new ATOM 0 HH11 ARG A 5 4.100 -3.118 11.751 1.00 44.12 H new ATOM 0 HH12 ARG A 5 3.620 -2.084 13.100 1.00 44.12 H new ATOM 0 HH21 ARG A 5 0.224 -1.984 12.176 1.00 33.03 H new ATOM 0 HH22 ARG A 5 1.440 -1.445 13.339 1.00 33.03 H new ATOM 92 N ASP A 6 -1.290 -2.931 7.751 1.00 51.54 N ATOM 93 CA ASP A 6 -2.514 -3.229 8.488 1.00 50.32 C ATOM 94 C ASP A 6 -3.695 -3.460 7.559 1.00 31.24 C ATOM 95 O ASP A 6 -4.774 -3.855 8.006 1.00 52.15 O ATOM 96 CB ASP A 6 -2.837 -2.099 9.469 1.00 30.44 C ATOM 97 CG ASP A 6 -2.290 -2.358 10.857 1.00 5.34 C ATOM 98 OD1 ASP A 6 -1.108 -2.046 11.113 1.00 54.34 O ATOM 99 OD2 ASP A 6 -3.047 -2.869 11.707 1.00 73.14 O ATOM 0 H ASP A 6 -1.114 -1.936 7.613 1.00 51.54 H new ATOM 0 HA ASP A 6 -2.340 -4.151 9.042 1.00 50.32 H new ATOM 0 HB2 ASP A 6 -2.425 -1.164 9.089 1.00 30.44 H new ATOM 0 HB3 ASP A 6 -3.918 -1.971 9.527 1.00 30.44 H new ATOM 105 N ALA A 7 -3.493 -3.219 6.273 1.00 53.10 N ATOM 106 CA ALA A 7 -4.539 -3.441 5.288 1.00 75.13 C ATOM 107 C ALA A 7 -4.631 -4.922 4.946 1.00 65.33 C ATOM 108 O ALA A 7 -3.616 -5.612 4.871 1.00 40.25 O ATOM 109 CB ALA A 7 -4.282 -2.615 4.039 1.00 53.42 C ATOM 0 H ALA A 7 -2.615 -2.870 5.888 1.00 53.10 H new ATOM 0 HA ALA A 7 -5.491 -3.123 5.712 1.00 75.13 H new ATOM 0 HB1 ALA A 7 -5.076 -2.795 3.314 1.00 53.42 H new ATOM 0 HB2 ALA A 7 -4.262 -1.557 4.300 1.00 53.42 H new ATOM 0 HB3 ALA A 7 -3.323 -2.900 3.605 1.00 53.42 H new ATOM 115 N LYS A 8 -5.846 -5.410 4.751 1.00 3.34 N ATOM 116 CA LYS A 8 -6.060 -6.824 4.486 1.00 65.23 C ATOM 117 C LYS A 8 -6.229 -7.067 2.994 1.00 33.33 C ATOM 118 O LYS A 8 -6.637 -6.173 2.249 1.00 33.02 O ATOM 119 CB LYS A 8 -7.297 -7.331 5.238 1.00 32.55 C ATOM 120 CG LYS A 8 -7.316 -6.956 6.712 1.00 13.14 C ATOM 121 CD LYS A 8 -6.095 -7.484 7.448 1.00 22.25 C ATOM 122 CE LYS A 8 -6.076 -7.022 8.896 1.00 14.14 C ATOM 123 NZ LYS A 8 -4.882 -7.527 9.625 1.00 74.20 N ATOM 0 H LYS A 8 -6.698 -4.849 4.771 1.00 3.34 H new ATOM 0 HA LYS A 8 -5.185 -7.371 4.836 1.00 65.23 H new ATOM 0 HB2 LYS A 8 -8.191 -6.931 4.759 1.00 32.55 H new ATOM 0 HB3 LYS A 8 -7.346 -8.416 5.148 1.00 32.55 H new ATOM 0 HG2 LYS A 8 -7.358 -5.871 6.810 1.00 13.14 H new ATOM 0 HG3 LYS A 8 -8.219 -7.353 7.176 1.00 13.14 H new ATOM 0 HD2 LYS A 8 -6.090 -8.573 7.412 1.00 22.25 H new ATOM 0 HD3 LYS A 8 -5.190 -7.144 6.944 1.00 22.25 H new ATOM 0 HE2 LYS A 8 -6.087 -5.933 8.929 1.00 14.14 H new ATOM 0 HE3 LYS A 8 -6.980 -7.366 9.398 1.00 14.14 H new ATOM 0 HZ1 LYS A 8 -4.907 -7.189 10.608 1.00 74.20 H new ATOM 0 HZ2 LYS A 8 -4.884 -8.567 9.616 1.00 74.20 H new ATOM 0 HZ3 LYS A 8 -4.019 -7.178 9.161 1.00 74.20 H new ATOM 137 N CYS A 9 -5.909 -8.276 2.560 1.00 61.20 N ATOM 138 CA CYS A 9 -6.069 -8.651 1.167 1.00 55.52 C ATOM 139 C CYS A 9 -7.544 -8.668 0.787 1.00 13.12 C ATOM 140 O CYS A 9 -8.355 -9.331 1.438 1.00 70.14 O ATOM 141 CB CYS A 9 -5.424 -10.015 0.916 1.00 1.44 C ATOM 142 SG CYS A 9 -5.724 -11.221 2.230 1.00 63.12 S ATOM 0 H CYS A 9 -5.536 -9.015 3.156 1.00 61.20 H new ATOM 0 HA CYS A 9 -5.569 -7.912 0.541 1.00 55.52 H new ATOM 0 HB2 CYS A 9 -5.801 -10.416 -0.025 1.00 1.44 H new ATOM 0 HB3 CYS A 9 -4.349 -9.881 0.798 1.00 1.44 H new ATOM 0 HG CYS A 9 -5.142 -12.344 1.929 1.00 63.12 H new ATOM 148 N GLY A 10 -7.886 -7.931 -0.258 1.00 13.34 N ATOM 149 CA GLY A 10 -9.272 -7.823 -0.663 1.00 71.53 C ATOM 150 C GLY A 10 -9.855 -6.457 -0.368 1.00 24.24 C ATOM 151 O GLY A 10 -11.064 -6.255 -0.484 1.00 13.21 O ATOM 0 H GLY A 10 -7.228 -7.405 -0.834 1.00 13.34 H new ATOM 0 HA2 GLY A 10 -9.353 -8.026 -1.731 1.00 71.53 H new ATOM 0 HA3 GLY A 10 -9.858 -8.584 -0.148 1.00 71.53 H new ATOM 155 N GLN A 11 -9.003 -5.521 0.032 1.00 31.24 N ATOM 156 CA GLN A 11 -9.435 -4.150 0.280 1.00 20.53 C ATOM 157 C GLN A 11 -8.786 -3.201 -0.717 1.00 23.54 C ATOM 158 O GLN A 11 -7.818 -3.557 -1.391 1.00 35.13 O ATOM 159 CB GLN A 11 -9.079 -3.711 1.704 1.00 15.43 C ATOM 160 CG GLN A 11 -9.679 -4.585 2.790 1.00 44.52 C ATOM 161 CD GLN A 11 -9.434 -4.027 4.176 1.00 13.22 C ATOM 162 OE1 GLN A 11 -8.418 -4.315 4.805 1.00 51.12 O ATOM 163 NE2 GLN A 11 -10.367 -3.229 4.667 1.00 1.25 N ATOM 0 H GLN A 11 -8.009 -5.686 0.192 1.00 31.24 H new ATOM 0 HA GLN A 11 -10.518 -4.116 0.162 1.00 20.53 H new ATOM 0 HB2 GLN A 11 -7.994 -3.709 1.812 1.00 15.43 H new ATOM 0 HB3 GLN A 11 -9.415 -2.685 1.851 1.00 15.43 H new ATOM 0 HG2 GLN A 11 -10.752 -4.682 2.624 1.00 44.52 H new ATOM 0 HG3 GLN A 11 -9.254 -5.587 2.723 1.00 44.52 H new ATOM 0 HE21 GLN A 11 -11.197 -3.014 4.114 1.00 1.25 H new ATOM 0 HE22 GLN A 11 -10.257 -2.829 5.599 1.00 1.25 H new ATOM 172 N THR A 12 -9.333 -2.001 -0.817 1.00 11.01 N ATOM 173 CA THR A 12 -8.759 -0.966 -1.654 1.00 11.31 C ATOM 174 C THR A 12 -8.453 0.271 -0.817 1.00 4.24 C ATOM 175 O THR A 12 -9.357 0.897 -0.262 1.00 32.30 O ATOM 176 CB THR A 12 -9.711 -0.590 -2.805 1.00 32.45 C ATOM 177 OG1 THR A 12 -10.117 -1.775 -3.503 1.00 41.44 O ATOM 178 CG2 THR A 12 -9.044 0.370 -3.779 1.00 14.21 C ATOM 0 H THR A 12 -10.181 -1.720 -0.324 1.00 11.01 H new ATOM 0 HA THR A 12 -7.836 -1.354 -2.084 1.00 11.31 H new ATOM 0 HB THR A 12 -10.583 -0.095 -2.377 1.00 32.45 H new ATOM 0 HG1 THR A 12 -9.326 -2.239 -3.847 1.00 41.44 H new ATOM 0 HG21 THR A 12 -9.740 0.617 -4.580 1.00 14.21 H new ATOM 0 HG22 THR A 12 -8.757 1.281 -3.253 1.00 14.21 H new ATOM 0 HG23 THR A 12 -8.156 -0.099 -4.202 1.00 14.21 H new ATOM 186 N VAL A 13 -7.178 0.604 -0.705 1.00 61.22 N ATOM 187 CA VAL A 13 -6.759 1.755 0.079 1.00 44.44 C ATOM 188 C VAL A 13 -6.046 2.768 -0.805 1.00 32.21 C ATOM 189 O VAL A 13 -5.608 2.443 -1.904 1.00 13.23 O ATOM 190 CB VAL A 13 -5.823 1.351 1.243 1.00 23.50 C ATOM 191 CG1 VAL A 13 -6.522 0.400 2.201 1.00 0.21 C ATOM 192 CG2 VAL A 13 -4.537 0.731 0.714 1.00 11.34 C ATOM 0 H VAL A 13 -6.414 0.093 -1.147 1.00 61.22 H new ATOM 0 HA VAL A 13 -7.660 2.199 0.501 1.00 44.44 H new ATOM 0 HB VAL A 13 -5.565 2.256 1.793 1.00 23.50 H new ATOM 0 HG11 VAL A 13 -5.841 0.132 3.009 1.00 0.21 H new ATOM 0 HG12 VAL A 13 -7.405 0.886 2.616 1.00 0.21 H new ATOM 0 HG13 VAL A 13 -6.821 -0.501 1.666 1.00 0.21 H new ATOM 0 HG21 VAL A 13 -3.895 0.455 1.551 1.00 11.34 H new ATOM 0 HG22 VAL A 13 -4.775 -0.158 0.131 1.00 11.34 H new ATOM 0 HG23 VAL A 13 -4.019 1.452 0.081 1.00 11.34 H new ATOM 202 N LYS A 14 -5.942 3.994 -0.328 1.00 23.14 N ATOM 203 CA LYS A 14 -5.216 5.029 -1.038 1.00 0.11 C ATOM 204 C LYS A 14 -4.073 5.548 -0.188 1.00 40.11 C ATOM 205 O LYS A 14 -4.193 5.662 1.031 1.00 24.43 O ATOM 206 CB LYS A 14 -6.147 6.173 -1.427 1.00 3.05 C ATOM 207 CG LYS A 14 -7.138 5.795 -2.511 1.00 74.13 C ATOM 208 CD LYS A 14 -8.046 6.954 -2.869 1.00 33.22 C ATOM 209 CE LYS A 14 -7.258 8.147 -3.378 1.00 14.03 C ATOM 210 NZ LYS A 14 -8.141 9.294 -3.710 1.00 31.24 N ATOM 0 H LYS A 14 -6.354 4.298 0.554 1.00 23.14 H new ATOM 0 HA LYS A 14 -4.806 4.595 -1.950 1.00 0.11 H new ATOM 0 HB2 LYS A 14 -6.693 6.504 -0.544 1.00 3.05 H new ATOM 0 HB3 LYS A 14 -5.550 7.019 -1.768 1.00 3.05 H new ATOM 0 HG2 LYS A 14 -6.598 5.468 -3.400 1.00 74.13 H new ATOM 0 HG3 LYS A 14 -7.740 4.951 -2.175 1.00 74.13 H new ATOM 0 HD2 LYS A 14 -8.758 6.637 -3.630 1.00 33.22 H new ATOM 0 HD3 LYS A 14 -8.625 7.247 -1.993 1.00 33.22 H new ATOM 0 HE2 LYS A 14 -6.534 8.453 -2.623 1.00 14.03 H new ATOM 0 HE3 LYS A 14 -6.692 7.857 -4.263 1.00 14.03 H new ATOM 0 HZ1 LYS A 14 -7.564 10.088 -4.054 1.00 31.24 H new ATOM 0 HZ2 LYS A 14 -8.815 9.010 -4.449 1.00 31.24 H new ATOM 0 HZ3 LYS A 14 -8.663 9.588 -2.860 1.00 31.24 H new ATOM 224 N VAL A 15 -2.973 5.852 -0.840 1.00 61.11 N ATOM 225 CA VAL A 15 -1.783 6.328 -0.150 1.00 22.11 C ATOM 226 C VAL A 15 -1.924 7.801 0.197 1.00 40.24 C ATOM 227 O VAL A 15 -2.262 8.613 -0.665 1.00 75.30 O ATOM 228 CB VAL A 15 -0.523 6.127 -1.009 1.00 52.40 C ATOM 229 CG1 VAL A 15 0.720 6.585 -0.262 1.00 73.22 C ATOM 230 CG2 VAL A 15 -0.399 4.672 -1.424 1.00 62.41 C ATOM 0 H VAL A 15 -2.872 5.779 -1.852 1.00 61.11 H new ATOM 0 HA VAL A 15 -1.679 5.746 0.766 1.00 22.11 H new ATOM 0 HB VAL A 15 -0.615 6.737 -1.908 1.00 52.40 H new ATOM 0 HG11 VAL A 15 1.598 6.433 -0.889 1.00 73.22 H new ATOM 0 HG12 VAL A 15 0.628 7.643 -0.017 1.00 73.22 H new ATOM 0 HG13 VAL A 15 0.826 6.008 0.656 1.00 73.22 H new ATOM 0 HG21 VAL A 15 0.497 4.542 -2.032 1.00 62.41 H new ATOM 0 HG22 VAL A 15 -0.329 4.045 -0.535 1.00 62.41 H new ATOM 0 HG23 VAL A 15 -1.276 4.383 -2.004 1.00 62.41 H new ATOM 240 N VAL A 16 -1.676 8.147 1.452 1.00 21.01 N ATOM 241 CA VAL A 16 -1.796 9.533 1.881 1.00 64.12 C ATOM 242 C VAL A 16 -0.454 10.126 2.300 1.00 65.23 C ATOM 243 O VAL A 16 -0.150 11.270 1.972 1.00 13.31 O ATOM 244 CB VAL A 16 -2.820 9.699 3.027 1.00 11.30 C ATOM 245 CG1 VAL A 16 -4.241 9.534 2.504 1.00 14.42 C ATOM 246 CG2 VAL A 16 -2.562 8.708 4.154 1.00 41.13 C ATOM 0 H VAL A 16 -1.393 7.495 2.184 1.00 21.01 H new ATOM 0 HA VAL A 16 -2.157 10.083 1.012 1.00 64.12 H new ATOM 0 HB VAL A 16 -2.703 10.706 3.427 1.00 11.30 H new ATOM 0 HG11 VAL A 16 -4.947 9.654 3.325 1.00 14.42 H new ATOM 0 HG12 VAL A 16 -4.438 10.288 1.742 1.00 14.42 H new ATOM 0 HG13 VAL A 16 -4.356 8.541 2.069 1.00 14.42 H new ATOM 0 HG21 VAL A 16 -3.301 8.853 4.942 1.00 41.13 H new ATOM 0 HG22 VAL A 16 -2.638 7.691 3.769 1.00 41.13 H new ATOM 0 HG23 VAL A 16 -1.563 8.869 4.559 1.00 41.13 H new ATOM 256 N LYS A 17 0.354 9.354 3.008 1.00 22.35 N ATOM 257 CA LYS A 17 1.619 9.866 3.509 1.00 41.53 C ATOM 258 C LYS A 17 2.724 8.826 3.367 1.00 44.22 C ATOM 259 O LYS A 17 2.600 7.696 3.833 1.00 21.45 O ATOM 260 CB LYS A 17 1.461 10.288 4.971 1.00 41.42 C ATOM 261 CG LYS A 17 2.599 11.148 5.494 1.00 62.33 C ATOM 262 CD LYS A 17 2.284 11.695 6.877 1.00 13.44 C ATOM 263 CE LYS A 17 3.364 12.645 7.370 1.00 50.30 C ATOM 264 NZ LYS A 17 3.019 13.233 8.691 1.00 2.35 N ATOM 0 H LYS A 17 0.160 8.381 3.247 1.00 22.35 H new ATOM 0 HA LYS A 17 1.904 10.735 2.916 1.00 41.53 H new ATOM 0 HB2 LYS A 17 0.525 10.836 5.081 1.00 41.42 H new ATOM 0 HB3 LYS A 17 1.381 9.394 5.590 1.00 41.42 H new ATOM 0 HG2 LYS A 17 3.515 10.559 5.533 1.00 62.33 H new ATOM 0 HG3 LYS A 17 2.780 11.974 4.806 1.00 62.33 H new ATOM 0 HD2 LYS A 17 1.326 12.215 6.852 1.00 13.44 H new ATOM 0 HD3 LYS A 17 2.179 10.868 7.579 1.00 13.44 H new ATOM 0 HE2 LYS A 17 4.311 12.111 7.446 1.00 50.30 H new ATOM 0 HE3 LYS A 17 3.506 13.444 6.642 1.00 50.30 H new ATOM 0 HZ1 LYS A 17 3.779 13.875 8.994 1.00 2.35 H new ATOM 0 HZ2 LYS A 17 2.128 13.764 8.613 1.00 2.35 H new ATOM 0 HZ3 LYS A 17 2.909 12.472 9.391 1.00 2.35 H new ATOM 278 N LEU A 18 3.803 9.213 2.708 1.00 1.23 N ATOM 279 CA LEU A 18 4.942 8.330 2.526 1.00 61.25 C ATOM 280 C LEU A 18 6.027 8.664 3.538 1.00 42.21 C ATOM 281 O LEU A 18 6.581 9.762 3.524 1.00 20.04 O ATOM 282 CB LEU A 18 5.486 8.450 1.099 1.00 42.13 C ATOM 283 CG LEU A 18 4.528 7.985 0.000 1.00 41.04 C ATOM 284 CD1 LEU A 18 5.133 8.228 -1.373 1.00 14.21 C ATOM 285 CD2 LEU A 18 4.198 6.510 0.183 1.00 34.53 C ATOM 0 H LEU A 18 3.914 10.136 2.289 1.00 1.23 H new ATOM 0 HA LEU A 18 4.619 7.301 2.686 1.00 61.25 H new ATOM 0 HB2 LEU A 18 5.750 9.491 0.913 1.00 42.13 H new ATOM 0 HB3 LEU A 18 6.406 7.870 1.027 1.00 42.13 H new ATOM 0 HG LEU A 18 3.606 8.562 0.074 1.00 41.04 H new ATOM 0 HD11 LEU A 18 4.438 7.891 -2.142 1.00 14.21 H new ATOM 0 HD12 LEU A 18 5.328 9.293 -1.501 1.00 14.21 H new ATOM 0 HD13 LEU A 18 6.068 7.675 -1.462 1.00 14.21 H new ATOM 0 HD21 LEU A 18 3.516 6.189 -0.604 1.00 34.53 H new ATOM 0 HD22 LEU A 18 5.115 5.923 0.130 1.00 34.53 H new ATOM 0 HD23 LEU A 18 3.727 6.360 1.155 1.00 34.53 H new ATOM 297 N HIS A 19 6.312 7.725 4.425 1.00 71.34 N ATOM 298 CA HIS A 19 7.302 7.938 5.473 1.00 63.41 C ATOM 299 C HIS A 19 8.667 7.433 5.019 1.00 11.24 C ATOM 300 O HIS A 19 8.756 6.540 4.176 1.00 11.32 O ATOM 301 CB HIS A 19 6.895 7.209 6.761 1.00 63.03 C ATOM 302 CG HIS A 19 5.579 7.643 7.341 1.00 2.32 C ATOM 303 ND1 HIS A 19 5.468 8.611 8.310 1.00 43.22 N ATOM 304 CD2 HIS A 19 4.317 7.211 7.101 1.00 20.23 C ATOM 305 CE1 HIS A 19 4.199 8.758 8.641 1.00 50.13 C ATOM 306 NE2 HIS A 19 3.475 7.919 7.925 1.00 24.14 N ATOM 0 H HIS A 19 5.872 6.805 4.442 1.00 71.34 H new ATOM 0 HA HIS A 19 7.357 9.008 5.673 1.00 63.41 H new ATOM 0 HB2 HIS A 19 6.851 6.139 6.558 1.00 63.03 H new ATOM 0 HB3 HIS A 19 7.673 7.360 7.509 1.00 63.03 H new ATOM 0 HD2 HIS A 19 4.026 6.450 6.392 1.00 20.23 H new ATOM 0 HE1 HIS A 19 3.816 9.450 9.376 1.00 50.13 H new ATOM 0 HE2 HIS A 19 2.462 7.814 7.975 1.00 24.14 H new ATOM 315 N GLY A 20 9.725 8.010 5.569 1.00 12.03 N ATOM 316 CA GLY A 20 11.060 7.525 5.287 1.00 25.13 C ATOM 317 C GLY A 20 11.939 8.556 4.614 1.00 25.31 C ATOM 318 O GLY A 20 11.605 9.740 4.568 1.00 54.42 O ATOM 0 H GLY A 20 9.683 8.806 6.206 1.00 12.03 H new ATOM 0 HA2 GLY A 20 11.529 7.210 6.219 1.00 25.13 H new ATOM 0 HA3 GLY A 20 10.992 6.643 4.650 1.00 25.13 H new ATOM 322 N THR A 21 13.072 8.104 4.100 1.00 52.12 N ATOM 323 CA THR A 21 14.016 8.975 3.423 1.00 1.00 C ATOM 324 C THR A 21 13.659 9.118 1.947 1.00 63.51 C ATOM 325 O THR A 21 12.756 8.438 1.451 1.00 72.24 O ATOM 326 CB THR A 21 15.446 8.419 3.551 1.00 32.42 C ATOM 327 OG1 THR A 21 15.448 7.029 3.192 1.00 64.22 O ATOM 328 CG2 THR A 21 15.973 8.586 4.969 1.00 32.24 C ATOM 0 H THR A 21 13.361 7.127 4.141 1.00 52.12 H new ATOM 0 HA THR A 21 13.966 9.956 3.896 1.00 1.00 H new ATOM 0 HB THR A 21 16.098 8.977 2.879 1.00 32.42 H new ATOM 0 HG1 THR A 21 15.604 6.485 3.992 1.00 64.22 H new ATOM 0 HG21 THR A 21 16.985 8.185 5.031 1.00 32.24 H new ATOM 0 HG22 THR A 21 15.986 9.644 5.230 1.00 32.24 H new ATOM 0 HG23 THR A 21 15.327 8.049 5.663 1.00 32.24 H new ATOM 336 N GLY A 22 14.379 9.991 1.249 1.00 21.44 N ATOM 337 CA GLY A 22 14.133 10.204 -0.165 1.00 3.45 C ATOM 338 C GLY A 22 14.338 8.943 -0.978 1.00 63.04 C ATOM 339 O GLY A 22 13.550 8.644 -1.876 1.00 14.20 O ATOM 0 H GLY A 22 15.132 10.557 1.640 1.00 21.44 H new ATOM 0 HA2 GLY A 22 13.113 10.562 -0.305 1.00 3.45 H new ATOM 0 HA3 GLY A 22 14.798 10.984 -0.534 1.00 3.45 H new ATOM 343 N ALA A 23 15.389 8.195 -0.648 1.00 41.25 N ATOM 344 CA ALA A 23 15.692 6.942 -1.334 1.00 72.40 C ATOM 345 C ALA A 23 14.538 5.951 -1.204 1.00 24.45 C ATOM 346 O ALA A 23 14.170 5.277 -2.169 1.00 44.14 O ATOM 347 CB ALA A 23 16.975 6.333 -0.787 1.00 23.01 C ATOM 0 H ALA A 23 16.047 8.437 0.093 1.00 41.25 H new ATOM 0 HA ALA A 23 15.831 7.163 -2.392 1.00 72.40 H new ATOM 0 HB1 ALA A 23 17.186 5.400 -1.309 1.00 23.01 H new ATOM 0 HB2 ALA A 23 17.801 7.028 -0.938 1.00 23.01 H new ATOM 0 HB3 ALA A 23 16.858 6.134 0.278 1.00 23.01 H new ATOM 353 N LEU A 24 13.956 5.878 -0.012 1.00 63.42 N ATOM 354 CA LEU A 24 12.843 4.968 0.240 1.00 3.30 C ATOM 355 C LEU A 24 11.583 5.443 -0.470 1.00 53.42 C ATOM 356 O LEU A 24 10.873 4.645 -1.084 1.00 32.43 O ATOM 357 CB LEU A 24 12.585 4.817 1.744 1.00 62.41 C ATOM 358 CG LEU A 24 13.379 3.703 2.442 1.00 41.43 C ATOM 359 CD1 LEU A 24 13.036 2.350 1.841 1.00 61.45 C ATOM 360 CD2 LEU A 24 14.875 3.955 2.352 1.00 33.34 C ATOM 0 H LEU A 24 14.235 6.437 0.794 1.00 63.42 H new ATOM 0 HA LEU A 24 13.115 3.991 -0.159 1.00 3.30 H new ATOM 0 HB2 LEU A 24 12.816 5.764 2.232 1.00 62.41 H new ATOM 0 HB3 LEU A 24 11.522 4.631 1.896 1.00 62.41 H new ATOM 0 HG LEU A 24 13.099 3.702 3.495 1.00 41.43 H new ATOM 0 HD11 LEU A 24 13.607 1.572 2.347 1.00 61.45 H new ATOM 0 HD12 LEU A 24 11.970 2.156 1.965 1.00 61.45 H new ATOM 0 HD13 LEU A 24 13.284 2.350 0.780 1.00 61.45 H new ATOM 0 HD21 LEU A 24 15.411 3.150 2.855 1.00 33.34 H new ATOM 0 HD22 LEU A 24 15.175 3.992 1.305 1.00 33.34 H new ATOM 0 HD23 LEU A 24 15.114 4.904 2.832 1.00 33.34 H new ATOM 372 N LYS A 25 11.313 6.744 -0.399 1.00 34.14 N ATOM 373 CA LYS A 25 10.168 7.323 -1.095 1.00 34.32 C ATOM 374 C LYS A 25 10.295 7.102 -2.598 1.00 42.53 C ATOM 375 O LYS A 25 9.328 6.737 -3.268 1.00 5.15 O ATOM 376 CB LYS A 25 10.048 8.820 -0.794 1.00 74.14 C ATOM 377 CG LYS A 25 9.742 9.127 0.665 1.00 52.50 C ATOM 378 CD LYS A 25 9.708 10.623 0.928 1.00 52.01 C ATOM 379 CE LYS A 25 9.435 10.919 2.391 1.00 3.33 C ATOM 380 NZ LYS A 25 9.490 12.375 2.687 1.00 1.25 N ATOM 0 H LYS A 25 11.869 7.415 0.131 1.00 34.14 H new ATOM 0 HA LYS A 25 9.266 6.825 -0.738 1.00 34.32 H new ATOM 0 HB2 LYS A 25 10.979 9.314 -1.073 1.00 74.14 H new ATOM 0 HB3 LYS A 25 9.262 9.246 -1.418 1.00 74.14 H new ATOM 0 HG2 LYS A 25 8.782 8.688 0.936 1.00 52.50 H new ATOM 0 HG3 LYS A 25 10.496 8.663 1.301 1.00 52.50 H new ATOM 0 HD2 LYS A 25 10.659 11.068 0.636 1.00 52.01 H new ATOM 0 HD3 LYS A 25 8.938 11.086 0.311 1.00 52.01 H new ATOM 0 HE2 LYS A 25 8.453 10.531 2.662 1.00 3.33 H new ATOM 0 HE3 LYS A 25 10.165 10.396 3.009 1.00 3.33 H new ATOM 0 HZ1 LYS A 25 9.298 12.531 3.697 1.00 1.25 H new ATOM 0 HZ2 LYS A 25 10.435 12.741 2.454 1.00 1.25 H new ATOM 0 HZ3 LYS A 25 8.776 12.872 2.118 1.00 1.25 H new ATOM 394 N ARG A 26 11.499 7.310 -3.115 1.00 72.10 N ATOM 395 CA ARG A 26 11.783 7.082 -4.525 1.00 32.40 C ATOM 396 C ARG A 26 11.546 5.628 -4.910 1.00 3.33 C ATOM 397 O ARG A 26 11.032 5.349 -5.987 1.00 43.02 O ATOM 398 CB ARG A 26 13.218 7.480 -4.856 1.00 5.25 C ATOM 399 CG ARG A 26 13.358 8.919 -5.316 1.00 10.42 C ATOM 400 CD ARG A 26 12.610 9.147 -6.619 1.00 2.35 C ATOM 401 NE ARG A 26 12.894 10.458 -7.202 1.00 52.22 N ATOM 402 CZ ARG A 26 12.817 10.718 -8.506 1.00 35.30 C ATOM 403 NH1 ARG A 26 12.462 9.758 -9.354 1.00 3.21 N ATOM 404 NH2 ARG A 26 13.102 11.931 -8.962 1.00 3.22 N ATOM 0 H ARG A 26 12.299 7.638 -2.574 1.00 72.10 H new ATOM 0 HA ARG A 26 11.100 7.705 -5.102 1.00 32.40 H new ATOM 0 HB2 ARG A 26 13.841 7.327 -3.975 1.00 5.25 H new ATOM 0 HB3 ARG A 26 13.599 6.820 -5.635 1.00 5.25 H new ATOM 0 HG2 ARG A 26 12.972 9.590 -4.548 1.00 10.42 H new ATOM 0 HG3 ARG A 26 14.412 9.161 -5.450 1.00 10.42 H new ATOM 0 HD2 ARG A 26 12.882 8.369 -7.332 1.00 2.35 H new ATOM 0 HD3 ARG A 26 11.539 9.056 -6.441 1.00 2.35 H new ATOM 0 HE ARG A 26 13.166 11.215 -6.575 1.00 52.22 H new ATOM 0 HH11 ARG A 26 12.249 8.823 -9.006 1.00 3.21 H new ATOM 0 HH12 ARG A 26 12.403 9.956 -10.353 1.00 3.21 H new ATOM 0 HH21 ARG A 26 13.381 12.667 -8.313 1.00 3.22 H new ATOM 0 HH22 ARG A 26 13.042 12.127 -9.961 1.00 3.22 H new ATOM 418 N ARG A 27 11.914 4.709 -4.029 1.00 62.12 N ATOM 419 CA ARG A 27 11.710 3.287 -4.280 1.00 13.22 C ATOM 420 C ARG A 27 10.221 2.973 -4.406 1.00 55.15 C ATOM 421 O ARG A 27 9.791 2.295 -5.340 1.00 4.21 O ATOM 422 CB ARG A 27 12.330 2.455 -3.157 1.00 13.03 C ATOM 423 CG ARG A 27 12.076 0.965 -3.299 1.00 61.14 C ATOM 424 CD ARG A 27 12.712 0.172 -2.172 1.00 32.30 C ATOM 425 NE ARG A 27 12.308 -1.230 -2.204 1.00 41.50 N ATOM 426 CZ ARG A 27 12.629 -2.120 -1.267 1.00 45.45 C ATOM 427 NH1 ARG A 27 13.433 -1.780 -0.264 1.00 34.43 N ATOM 428 NH2 ARG A 27 12.162 -3.359 -1.337 1.00 5.22 N ATOM 0 H ARG A 27 12.355 4.921 -3.134 1.00 62.12 H new ATOM 0 HA ARG A 27 12.200 3.030 -5.219 1.00 13.22 H new ATOM 0 HB2 ARG A 27 13.405 2.632 -3.135 1.00 13.03 H new ATOM 0 HB3 ARG A 27 11.931 2.794 -2.201 1.00 13.03 H new ATOM 0 HG2 ARG A 27 11.002 0.780 -3.312 1.00 61.14 H new ATOM 0 HG3 ARG A 27 12.471 0.619 -4.254 1.00 61.14 H new ATOM 0 HD2 ARG A 27 13.797 0.240 -2.247 1.00 32.30 H new ATOM 0 HD3 ARG A 27 12.430 0.610 -1.215 1.00 32.30 H new ATOM 0 HE ARG A 27 11.745 -1.548 -2.993 1.00 41.50 H new ATOM 0 HH11 ARG A 27 13.808 -0.833 -0.209 1.00 34.43 H new ATOM 0 HH12 ARG A 27 13.675 -2.466 0.451 1.00 34.43 H new ATOM 0 HH21 ARG A 27 11.555 -3.632 -2.110 1.00 5.22 H new ATOM 0 HH22 ARG A 27 12.410 -4.039 -0.618 1.00 5.22 H new ATOM 442 N ILE A 28 9.441 3.482 -3.461 1.00 30.45 N ATOM 443 CA ILE A 28 8.000 3.292 -3.464 1.00 51.32 C ATOM 444 C ILE A 28 7.374 3.905 -4.722 1.00 70.44 C ATOM 445 O ILE A 28 6.537 3.282 -5.383 1.00 51.51 O ATOM 446 CB ILE A 28 7.368 3.910 -2.197 1.00 65.22 C ATOM 447 CG1 ILE A 28 7.972 3.274 -0.941 1.00 11.10 C ATOM 448 CG2 ILE A 28 5.859 3.729 -2.204 1.00 44.14 C ATOM 449 CD1 ILE A 28 7.508 3.916 0.351 1.00 62.20 C ATOM 0 H ILE A 28 9.788 4.034 -2.677 1.00 30.45 H new ATOM 0 HA ILE A 28 7.800 2.221 -3.466 1.00 51.32 H new ATOM 0 HB ILE A 28 7.585 4.978 -2.191 1.00 65.22 H new ATOM 0 HG12 ILE A 28 7.716 2.215 -0.922 1.00 11.10 H new ATOM 0 HG13 ILE A 28 9.059 3.339 -0.999 1.00 11.10 H new ATOM 0 HG21 ILE A 28 5.435 4.172 -1.303 1.00 44.14 H new ATOM 0 HG22 ILE A 28 5.438 4.219 -3.082 1.00 44.14 H new ATOM 0 HG23 ILE A 28 5.620 2.666 -2.233 1.00 44.14 H new ATOM 0 HD11 ILE A 28 7.977 3.413 1.196 1.00 62.20 H new ATOM 0 HD12 ILE A 28 7.788 4.969 0.355 1.00 62.20 H new ATOM 0 HD13 ILE A 28 6.425 3.828 0.432 1.00 62.20 H new ATOM 461 N MET A 29 7.809 5.113 -5.065 1.00 1.52 N ATOM 462 CA MET A 29 7.310 5.805 -6.253 1.00 32.43 C ATOM 463 C MET A 29 7.756 5.102 -7.530 1.00 63.11 C ATOM 464 O MET A 29 7.021 5.069 -8.519 1.00 31.21 O ATOM 465 CB MET A 29 7.784 7.260 -6.277 1.00 53.33 C ATOM 466 CG MET A 29 7.203 8.119 -5.166 1.00 11.54 C ATOM 467 SD MET A 29 7.759 9.832 -5.259 1.00 72.11 S ATOM 468 CE MET A 29 6.886 10.541 -3.866 1.00 20.11 C ATOM 0 H MET A 29 8.508 5.636 -4.537 1.00 1.52 H new ATOM 0 HA MET A 29 6.221 5.786 -6.206 1.00 32.43 H new ATOM 0 HB2 MET A 29 8.871 7.278 -6.205 1.00 53.33 H new ATOM 0 HB3 MET A 29 7.521 7.701 -7.238 1.00 53.33 H new ATOM 0 HG2 MET A 29 6.115 8.090 -5.219 1.00 11.54 H new ATOM 0 HG3 MET A 29 7.486 7.700 -4.201 1.00 11.54 H new ATOM 0 HE1 MET A 29 7.126 11.601 -3.788 1.00 20.11 H new ATOM 0 HE2 MET A 29 5.812 10.421 -4.010 1.00 20.11 H new ATOM 0 HE3 MET A 29 7.188 10.032 -2.950 1.00 20.11 H new ATOM 478 N ASP A 30 8.959 4.541 -7.504 1.00 33.04 N ATOM 479 CA ASP A 30 9.509 3.831 -8.655 1.00 31.14 C ATOM 480 C ASP A 30 8.628 2.645 -9.012 1.00 34.01 C ATOM 481 O ASP A 30 8.376 2.372 -10.187 1.00 64.35 O ATOM 482 CB ASP A 30 10.936 3.352 -8.361 1.00 54.44 C ATOM 483 CG ASP A 30 11.609 2.736 -9.570 1.00 74.02 C ATOM 484 OD1 ASP A 30 11.504 1.503 -9.759 1.00 73.13 O ATOM 485 OD2 ASP A 30 12.255 3.484 -10.335 1.00 70.13 O ATOM 0 H ASP A 30 9.577 4.564 -6.693 1.00 33.04 H new ATOM 0 HA ASP A 30 9.538 4.519 -9.500 1.00 31.14 H new ATOM 0 HB2 ASP A 30 11.532 4.194 -8.009 1.00 54.44 H new ATOM 0 HB3 ASP A 30 10.910 2.620 -7.553 1.00 54.44 H new ATOM 491 N MET A 31 8.143 1.956 -7.988 1.00 71.41 N ATOM 492 CA MET A 31 7.260 0.813 -8.182 1.00 12.04 C ATOM 493 C MET A 31 5.908 1.257 -8.736 1.00 14.45 C ATOM 494 O MET A 31 5.215 0.486 -9.399 1.00 23.33 O ATOM 495 CB MET A 31 7.074 0.059 -6.867 1.00 42.05 C ATOM 496 CG MET A 31 8.356 -0.551 -6.327 1.00 53.53 C ATOM 497 SD MET A 31 8.108 -1.443 -4.778 1.00 42.13 S ATOM 498 CE MET A 31 7.443 -0.139 -3.744 1.00 70.11 C ATOM 0 H MET A 31 8.347 2.169 -7.012 1.00 71.41 H new ATOM 0 HA MET A 31 7.722 0.144 -8.908 1.00 12.04 H new ATOM 0 HB2 MET A 31 6.665 0.741 -6.122 1.00 42.05 H new ATOM 0 HB3 MET A 31 6.339 -0.732 -7.013 1.00 42.05 H new ATOM 0 HG2 MET A 31 8.770 -1.232 -7.071 1.00 53.53 H new ATOM 0 HG3 MET A 31 9.092 0.238 -6.173 1.00 53.53 H new ATOM 0 HE1 MET A 31 8.087 0.001 -2.876 1.00 70.11 H new ATOM 0 HE2 MET A 31 7.396 0.789 -4.314 1.00 70.11 H new ATOM 0 HE3 MET A 31 6.441 -0.413 -3.413 1.00 70.11 H new ATOM 508 N GLY A 32 5.546 2.508 -8.474 1.00 3.25 N ATOM 509 CA GLY A 32 4.319 3.052 -9.016 1.00 22.25 C ATOM 510 C GLY A 32 3.423 3.657 -7.958 1.00 50.04 C ATOM 511 O GLY A 32 2.299 4.062 -8.248 1.00 2.52 O ATOM 0 H GLY A 32 6.082 3.154 -7.895 1.00 3.25 H new ATOM 0 HA2 GLY A 32 4.562 3.813 -9.757 1.00 22.25 H new ATOM 0 HA3 GLY A 32 3.776 2.262 -9.536 1.00 22.25 H new ATOM 515 N ILE A 33 3.922 3.735 -6.732 1.00 14.45 N ATOM 516 CA ILE A 33 3.119 4.201 -5.614 1.00 14.43 C ATOM 517 C ILE A 33 3.463 5.641 -5.233 1.00 33.51 C ATOM 518 O ILE A 33 4.536 5.915 -4.695 1.00 50.12 O ATOM 519 CB ILE A 33 3.314 3.292 -4.383 1.00 42.50 C ATOM 520 CG1 ILE A 33 3.067 1.827 -4.754 1.00 64.04 C ATOM 521 CG2 ILE A 33 2.388 3.717 -3.252 1.00 14.03 C ATOM 522 CD1 ILE A 33 3.385 0.853 -3.638 1.00 53.40 C ATOM 0 H ILE A 33 4.879 3.481 -6.488 1.00 14.45 H new ATOM 0 HA ILE A 33 2.078 4.164 -5.934 1.00 14.43 H new ATOM 0 HB ILE A 33 4.344 3.393 -4.041 1.00 42.50 H new ATOM 0 HG12 ILE A 33 2.023 1.706 -5.043 1.00 64.04 H new ATOM 0 HG13 ILE A 33 3.671 1.576 -5.626 1.00 64.04 H new ATOM 0 HG21 ILE A 33 2.540 3.064 -2.392 1.00 14.03 H new ATOM 0 HG22 ILE A 33 2.608 4.746 -2.969 1.00 14.03 H new ATOM 0 HG23 ILE A 33 1.352 3.645 -3.583 1.00 14.03 H new ATOM 0 HD11 ILE A 33 3.185 -0.164 -3.975 1.00 53.40 H new ATOM 0 HD12 ILE A 33 4.436 0.945 -3.363 1.00 53.40 H new ATOM 0 HD13 ILE A 33 2.763 1.077 -2.771 1.00 53.40 H new ATOM 534 N THR A 34 2.554 6.558 -5.525 1.00 12.31 N ATOM 535 CA THR A 34 2.689 7.934 -5.078 1.00 53.01 C ATOM 536 C THR A 34 1.479 8.303 -4.227 1.00 22.15 C ATOM 537 O THR A 34 0.566 7.491 -4.068 1.00 72.22 O ATOM 538 CB THR A 34 2.827 8.926 -6.257 1.00 45.34 C ATOM 539 OG1 THR A 34 1.717 8.804 -7.154 1.00 51.41 O ATOM 540 CG2 THR A 34 4.118 8.690 -7.021 1.00 24.41 C ATOM 0 H THR A 34 1.713 6.373 -6.071 1.00 12.31 H new ATOM 0 HA THR A 34 3.604 8.007 -4.491 1.00 53.01 H new ATOM 0 HB THR A 34 2.843 9.932 -5.838 1.00 45.34 H new ATOM 0 HG1 THR A 34 1.022 8.250 -6.741 1.00 51.41 H new ATOM 0 HG21 THR A 34 4.189 9.401 -7.844 1.00 24.41 H new ATOM 0 HG22 THR A 34 4.967 8.825 -6.351 1.00 24.41 H new ATOM 0 HG23 THR A 34 4.126 7.675 -7.417 1.00 24.41 H new ATOM 548 N ARG A 35 1.456 9.509 -3.680 1.00 31.54 N ATOM 549 CA ARG A 35 0.351 9.910 -2.819 1.00 12.52 C ATOM 550 C ARG A 35 -0.908 10.159 -3.652 1.00 1.50 C ATOM 551 O ARG A 35 -0.854 10.784 -4.712 1.00 43.31 O ATOM 552 CB ARG A 35 0.724 11.146 -1.990 1.00 42.42 C ATOM 553 CG ARG A 35 0.898 12.418 -2.801 1.00 41.00 C ATOM 554 CD ARG A 35 1.516 13.527 -1.967 1.00 4.33 C ATOM 555 NE ARG A 35 1.518 14.805 -2.678 1.00 54.14 N ATOM 556 CZ ARG A 35 2.604 15.369 -3.208 1.00 64.35 C ATOM 557 NH1 ARG A 35 3.781 14.765 -3.123 1.00 75.13 N ATOM 558 NH2 ARG A 35 2.508 16.537 -3.828 1.00 71.41 N ATOM 0 H ARG A 35 2.177 10.218 -3.813 1.00 31.54 H new ATOM 0 HA ARG A 35 0.142 9.098 -2.122 1.00 12.52 H new ATOM 0 HB2 ARG A 35 -0.049 11.311 -1.239 1.00 42.42 H new ATOM 0 HB3 ARG A 35 1.651 10.942 -1.454 1.00 42.42 H new ATOM 0 HG2 ARG A 35 1.530 12.216 -3.666 1.00 41.00 H new ATOM 0 HG3 ARG A 35 -0.070 12.744 -3.182 1.00 41.00 H new ATOM 0 HD2 ARG A 35 0.963 13.631 -1.034 1.00 4.33 H new ATOM 0 HD3 ARG A 35 2.538 13.256 -1.703 1.00 4.33 H new ATOM 0 HE ARG A 35 0.630 15.298 -2.775 1.00 54.14 H new ATOM 0 HH11 ARG A 35 3.859 13.864 -2.650 1.00 75.13 H new ATOM 0 HH12 ARG A 35 4.608 15.201 -3.530 1.00 75.13 H new ATOM 0 HH21 ARG A 35 1.604 17.004 -3.899 1.00 71.41 H new ATOM 0 HH22 ARG A 35 3.338 16.969 -4.234 1.00 71.41 H new ATOM 572 N GLY A 36 -2.032 9.643 -3.175 1.00 34.02 N ATOM 573 CA GLY A 36 -3.277 9.763 -3.908 1.00 31.45 C ATOM 574 C GLY A 36 -3.571 8.536 -4.744 1.00 53.11 C ATOM 575 O GLY A 36 -4.670 8.388 -5.280 1.00 20.22 O ATOM 0 H GLY A 36 -2.104 9.141 -2.290 1.00 34.02 H new ATOM 0 HA2 GLY A 36 -4.095 9.927 -3.206 1.00 31.45 H new ATOM 0 HA3 GLY A 36 -3.232 10.639 -4.555 1.00 31.45 H new ATOM 579 N CYS A 37 -2.588 7.652 -4.856 1.00 22.24 N ATOM 580 CA CYS A 37 -2.753 6.424 -5.620 1.00 74.25 C ATOM 581 C CYS A 37 -3.517 5.389 -4.817 1.00 44.01 C ATOM 582 O CYS A 37 -3.389 5.312 -3.592 1.00 32.12 O ATOM 583 CB CYS A 37 -1.394 5.861 -6.032 1.00 10.34 C ATOM 584 SG CYS A 37 -0.488 6.917 -7.182 1.00 62.22 S ATOM 0 H CYS A 37 -1.669 7.763 -4.428 1.00 22.24 H new ATOM 0 HA CYS A 37 -3.324 6.661 -6.518 1.00 74.25 H new ATOM 0 HB2 CYS A 37 -0.788 5.708 -5.139 1.00 10.34 H new ATOM 0 HB3 CYS A 37 -1.540 4.882 -6.489 1.00 10.34 H new ATOM 0 HG CYS A 37 0.416 6.214 -7.796 1.00 62.22 H new ATOM 590 N GLU A 38 -4.319 4.606 -5.514 1.00 42.51 N ATOM 591 CA GLU A 38 -5.089 3.549 -4.890 1.00 12.13 C ATOM 592 C GLU A 38 -4.388 2.206 -5.072 1.00 33.03 C ATOM 593 O GLU A 38 -3.885 1.892 -6.153 1.00 61.30 O ATOM 594 CB GLU A 38 -6.504 3.522 -5.474 1.00 33.32 C ATOM 595 CG GLU A 38 -6.535 3.397 -6.987 1.00 71.21 C ATOM 596 CD GLU A 38 -7.752 4.051 -7.599 1.00 4.03 C ATOM 597 OE1 GLU A 38 -8.738 3.344 -7.894 1.00 41.53 O ATOM 598 OE2 GLU A 38 -7.724 5.284 -7.793 1.00 44.33 O ATOM 0 H GLU A 38 -4.454 4.684 -6.522 1.00 42.51 H new ATOM 0 HA GLU A 38 -5.166 3.742 -3.820 1.00 12.13 H new ATOM 0 HB2 GLU A 38 -7.052 2.687 -5.038 1.00 33.32 H new ATOM 0 HB3 GLU A 38 -7.026 4.433 -5.182 1.00 33.32 H new ATOM 0 HG2 GLU A 38 -5.635 3.850 -7.404 1.00 71.21 H new ATOM 0 HG3 GLU A 38 -6.517 2.342 -7.261 1.00 71.21 H new ATOM 606 N ILE A 39 -4.345 1.432 -4.004 1.00 51.41 N ATOM 607 CA ILE A 39 -3.669 0.155 -4.002 1.00 5.33 C ATOM 608 C ILE A 39 -4.647 -0.954 -3.660 1.00 64.22 C ATOM 609 O ILE A 39 -5.296 -0.925 -2.613 1.00 71.45 O ATOM 610 CB ILE A 39 -2.504 0.131 -2.989 1.00 54.52 C ATOM 611 CG1 ILE A 39 -1.461 1.193 -3.345 1.00 45.05 C ATOM 612 CG2 ILE A 39 -1.866 -1.251 -2.939 1.00 11.14 C ATOM 613 CD1 ILE A 39 -0.277 1.221 -2.401 1.00 32.52 C ATOM 0 H ILE A 39 -4.780 1.674 -3.114 1.00 51.41 H new ATOM 0 HA ILE A 39 -3.263 -0.001 -5.001 1.00 5.33 H new ATOM 0 HB ILE A 39 -2.903 0.360 -2.001 1.00 54.52 H new ATOM 0 HG12 ILE A 39 -1.103 1.013 -4.359 1.00 45.05 H new ATOM 0 HG13 ILE A 39 -1.938 2.173 -3.345 1.00 45.05 H new ATOM 0 HG21 ILE A 39 -1.047 -1.248 -2.220 1.00 11.14 H new ATOM 0 HG22 ILE A 39 -2.612 -1.986 -2.636 1.00 11.14 H new ATOM 0 HG23 ILE A 39 -1.481 -1.510 -3.925 1.00 11.14 H new ATOM 0 HD11 ILE A 39 0.420 1.998 -2.715 1.00 32.52 H new ATOM 0 HD12 ILE A 39 -0.623 1.432 -1.389 1.00 32.52 H new ATOM 0 HD13 ILE A 39 0.225 0.254 -2.418 1.00 32.52 H new ATOM 625 N TYR A 40 -4.760 -1.912 -4.557 1.00 24.22 N ATOM 626 CA TYR A 40 -5.587 -3.079 -4.324 1.00 64.31 C ATOM 627 C TYR A 40 -4.738 -4.169 -3.680 1.00 42.00 C ATOM 628 O TYR A 40 -3.934 -4.820 -4.353 1.00 42.24 O ATOM 629 CB TYR A 40 -6.185 -3.576 -5.643 1.00 21.54 C ATOM 630 CG TYR A 40 -7.325 -4.553 -5.479 1.00 24.21 C ATOM 631 CD1 TYR A 40 -7.094 -5.917 -5.348 1.00 32.40 C ATOM 632 CD2 TYR A 40 -8.639 -4.107 -5.466 1.00 62.13 C ATOM 633 CE1 TYR A 40 -8.142 -6.807 -5.211 1.00 43.25 C ATOM 634 CE2 TYR A 40 -9.690 -4.988 -5.328 1.00 21.53 C ATOM 635 CZ TYR A 40 -9.438 -6.335 -5.200 1.00 61.22 C ATOM 636 OH TYR A 40 -10.488 -7.213 -5.072 1.00 63.24 O ATOM 0 H TYR A 40 -4.286 -1.905 -5.460 1.00 24.22 H new ATOM 0 HA TYR A 40 -6.408 -2.818 -3.656 1.00 64.31 H new ATOM 0 HB2 TYR A 40 -6.537 -2.718 -6.215 1.00 21.54 H new ATOM 0 HB3 TYR A 40 -5.398 -4.049 -6.230 1.00 21.54 H new ATOM 0 HD1 TYR A 40 -6.079 -6.287 -5.353 1.00 32.40 H new ATOM 0 HD2 TYR A 40 -8.842 -3.051 -5.566 1.00 62.13 H new ATOM 0 HE1 TYR A 40 -7.948 -7.865 -5.113 1.00 43.25 H new ATOM 0 HE2 TYR A 40 -10.706 -4.623 -5.320 1.00 21.53 H new ATOM 0 HH TYR A 40 -11.333 -6.716 -5.082 1.00 63.24 H new ATOM 646 N ILE A 41 -4.887 -4.339 -2.373 1.00 72.45 N ATOM 647 CA ILE A 41 -4.093 -5.317 -1.647 1.00 20.52 C ATOM 648 C ILE A 41 -4.526 -6.722 -2.052 1.00 33.21 C ATOM 649 O ILE A 41 -5.668 -7.126 -1.818 1.00 1.31 O ATOM 650 CB ILE A 41 -4.195 -5.159 -0.109 1.00 60.15 C ATOM 651 CG1 ILE A 41 -3.952 -3.708 0.324 1.00 1.45 C ATOM 652 CG2 ILE A 41 -3.181 -6.063 0.571 1.00 35.12 C ATOM 653 CD1 ILE A 41 -5.182 -2.829 0.257 1.00 21.14 C ATOM 0 H ILE A 41 -5.547 -3.815 -1.798 1.00 72.45 H new ATOM 0 HA ILE A 41 -3.050 -5.146 -1.912 1.00 20.52 H new ATOM 0 HB ILE A 41 -5.205 -5.441 0.188 1.00 60.15 H new ATOM 0 HG12 ILE A 41 -3.571 -3.704 1.345 1.00 1.45 H new ATOM 0 HG13 ILE A 41 -3.176 -3.277 -0.308 1.00 1.45 H new ATOM 0 HG21 ILE A 41 -3.258 -5.947 1.652 1.00 35.12 H new ATOM 0 HG22 ILE A 41 -3.380 -7.100 0.302 1.00 35.12 H new ATOM 0 HG23 ILE A 41 -2.176 -5.791 0.247 1.00 35.12 H new ATOM 0 HD11 ILE A 41 -4.926 -1.820 0.579 1.00 21.14 H new ATOM 0 HD12 ILE A 41 -5.553 -2.800 -0.768 1.00 21.14 H new ATOM 0 HD13 ILE A 41 -5.954 -3.234 0.911 1.00 21.14 H new ATOM 665 N ARG A 42 -3.603 -7.452 -2.661 1.00 44.31 N ATOM 666 CA ARG A 42 -3.913 -8.718 -3.310 1.00 33.44 C ATOM 667 C ARG A 42 -3.730 -9.891 -2.346 1.00 55.12 C ATOM 668 O ARG A 42 -4.601 -10.752 -2.237 1.00 63.02 O ATOM 669 CB ARG A 42 -3.014 -8.865 -4.549 1.00 1.11 C ATOM 670 CG ARG A 42 -3.408 -9.966 -5.525 1.00 11.13 C ATOM 671 CD ARG A 42 -2.873 -11.324 -5.107 1.00 4.44 C ATOM 672 NE ARG A 42 -2.500 -12.137 -6.264 1.00 23.52 N ATOM 673 CZ ARG A 42 -2.350 -13.459 -6.232 1.00 64.30 C ATOM 674 NH1 ARG A 42 -2.659 -14.140 -5.137 1.00 43.30 N ATOM 675 NH2 ARG A 42 -1.916 -14.104 -7.308 1.00 51.02 N ATOM 0 H ARG A 42 -2.620 -7.185 -2.719 1.00 44.31 H new ATOM 0 HA ARG A 42 -4.958 -8.726 -3.618 1.00 33.44 H new ATOM 0 HB2 ARG A 42 -3.007 -7.916 -5.085 1.00 1.11 H new ATOM 0 HB3 ARG A 42 -1.993 -9.050 -4.214 1.00 1.11 H new ATOM 0 HG2 ARG A 42 -4.495 -10.013 -5.598 1.00 11.13 H new ATOM 0 HG3 ARG A 42 -3.032 -9.720 -6.518 1.00 11.13 H new ATOM 0 HD2 ARG A 42 -2.005 -11.190 -4.461 1.00 4.44 H new ATOM 0 HD3 ARG A 42 -3.628 -11.848 -4.522 1.00 4.44 H new ATOM 0 HE ARG A 42 -2.345 -11.660 -7.152 1.00 23.52 H new ATOM 0 HH11 ARG A 42 -3.013 -13.651 -4.315 1.00 43.30 H new ATOM 0 HH12 ARG A 42 -2.543 -15.153 -5.117 1.00 43.30 H new ATOM 0 HH21 ARG A 42 -1.697 -13.586 -8.159 1.00 51.02 H new ATOM 0 HH22 ARG A 42 -1.801 -15.117 -7.283 1.00 51.02 H new ATOM 689 N LYS A 43 -2.602 -9.927 -1.647 1.00 3.05 N ATOM 690 CA LYS A 43 -2.329 -11.013 -0.710 1.00 52.52 C ATOM 691 C LYS A 43 -1.410 -10.556 0.413 1.00 13.31 C ATOM 692 O LYS A 43 -0.270 -10.172 0.175 1.00 44.01 O ATOM 693 CB LYS A 43 -1.705 -12.211 -1.439 1.00 24.44 C ATOM 694 CG LYS A 43 -1.316 -13.367 -0.521 1.00 10.01 C ATOM 695 CD LYS A 43 -2.515 -13.903 0.251 1.00 53.34 C ATOM 696 CE LYS A 43 -2.137 -15.086 1.137 1.00 25.11 C ATOM 697 NZ LYS A 43 -1.120 -14.725 2.163 1.00 5.01 N ATOM 0 H LYS A 43 -1.866 -9.223 -1.709 1.00 3.05 H new ATOM 0 HA LYS A 43 -3.280 -11.317 -0.273 1.00 52.52 H new ATOM 0 HB2 LYS A 43 -2.411 -12.576 -2.185 1.00 24.44 H new ATOM 0 HB3 LYS A 43 -0.819 -11.874 -1.976 1.00 24.44 H new ATOM 0 HG2 LYS A 43 -0.876 -14.170 -1.113 1.00 10.01 H new ATOM 0 HG3 LYS A 43 -0.552 -13.033 0.180 1.00 10.01 H new ATOM 0 HD2 LYS A 43 -2.936 -13.108 0.867 1.00 53.34 H new ATOM 0 HD3 LYS A 43 -3.292 -14.208 -0.450 1.00 53.34 H new ATOM 0 HE2 LYS A 43 -3.031 -15.465 1.633 1.00 25.11 H new ATOM 0 HE3 LYS A 43 -1.751 -15.893 0.515 1.00 25.11 H new ATOM 0 HZ1 LYS A 43 -1.020 -15.506 2.843 1.00 5.01 H new ATOM 0 HZ2 LYS A 43 -0.206 -14.551 1.699 1.00 5.01 H new ATOM 0 HZ3 LYS A 43 -1.423 -13.866 2.665 1.00 5.01 H new ATOM 711 N VAL A 44 -1.917 -10.600 1.635 1.00 5.31 N ATOM 712 CA VAL A 44 -1.118 -10.278 2.806 1.00 45.13 C ATOM 713 C VAL A 44 -0.732 -11.559 3.526 1.00 73.31 C ATOM 714 O VAL A 44 -1.562 -12.453 3.687 1.00 52.14 O ATOM 715 CB VAL A 44 -1.888 -9.366 3.788 1.00 32.34 C ATOM 716 CG1 VAL A 44 -1.021 -8.990 4.981 1.00 43.02 C ATOM 717 CG2 VAL A 44 -2.387 -8.120 3.085 1.00 22.23 C ATOM 0 H VAL A 44 -2.882 -10.857 1.842 1.00 5.31 H new ATOM 0 HA VAL A 44 -0.229 -9.747 2.466 1.00 45.13 H new ATOM 0 HB VAL A 44 -2.749 -9.925 4.156 1.00 32.34 H new ATOM 0 HG11 VAL A 44 -1.588 -8.348 5.655 1.00 43.02 H new ATOM 0 HG12 VAL A 44 -0.718 -9.894 5.510 1.00 43.02 H new ATOM 0 HG13 VAL A 44 -0.135 -8.458 4.634 1.00 43.02 H new ATOM 0 HG21 VAL A 44 -2.926 -7.493 3.795 1.00 22.23 H new ATOM 0 HG22 VAL A 44 -1.540 -7.566 2.682 1.00 22.23 H new ATOM 0 HG23 VAL A 44 -3.055 -8.404 2.272 1.00 22.23 H new ATOM 727 N ALA A 45 0.525 -11.670 3.918 1.00 43.03 N ATOM 728 CA ALA A 45 0.957 -12.788 4.733 1.00 72.24 C ATOM 729 C ALA A 45 0.757 -12.457 6.205 1.00 51.21 C ATOM 730 O ALA A 45 0.948 -11.313 6.612 1.00 20.35 O ATOM 731 CB ALA A 45 2.413 -13.119 4.451 1.00 2.33 C ATOM 0 H ALA A 45 1.260 -11.002 3.686 1.00 43.03 H new ATOM 0 HA ALA A 45 0.357 -13.663 4.484 1.00 72.24 H new ATOM 0 HB1 ALA A 45 2.722 -13.961 5.071 1.00 2.33 H new ATOM 0 HB2 ALA A 45 2.529 -13.381 3.399 1.00 2.33 H new ATOM 0 HB3 ALA A 45 3.034 -12.253 4.680 1.00 2.33 H new ATOM 737 N PRO A 46 0.372 -13.448 7.022 1.00 40.41 N ATOM 738 CA PRO A 46 0.120 -13.249 8.458 1.00 64.11 C ATOM 739 C PRO A 46 1.361 -12.772 9.215 1.00 63.32 C ATOM 740 O PRO A 46 1.254 -12.191 10.296 1.00 43.43 O ATOM 741 CB PRO A 46 -0.307 -14.635 8.947 1.00 33.25 C ATOM 742 CG PRO A 46 -0.749 -15.357 7.722 1.00 11.24 C ATOM 743 CD PRO A 46 0.117 -14.837 6.613 1.00 73.13 C ATOM 0 HA PRO A 46 -0.627 -12.474 8.630 1.00 64.11 H new ATOM 0 HB2 PRO A 46 0.519 -15.153 9.434 1.00 33.25 H new ATOM 0 HB3 PRO A 46 -1.114 -14.565 9.676 1.00 33.25 H new ATOM 0 HG2 PRO A 46 -0.632 -16.434 7.838 1.00 11.24 H new ATOM 0 HG3 PRO A 46 -1.803 -15.171 7.516 1.00 11.24 H new ATOM 0 HD2 PRO A 46 1.041 -15.407 6.520 1.00 73.13 H new ATOM 0 HD3 PRO A 46 -0.387 -14.888 5.648 1.00 73.13 H new ATOM 751 N LEU A 47 2.532 -13.026 8.644 1.00 44.01 N ATOM 752 CA LEU A 47 3.787 -12.556 9.222 1.00 12.43 C ATOM 753 C LEU A 47 3.939 -11.059 9.007 1.00 23.23 C ATOM 754 O LEU A 47 4.635 -10.375 9.755 1.00 33.24 O ATOM 755 CB LEU A 47 4.977 -13.272 8.578 1.00 42.14 C ATOM 756 CG LEU A 47 4.970 -14.790 8.713 1.00 33.44 C ATOM 757 CD1 LEU A 47 6.139 -15.395 7.954 1.00 1.22 C ATOM 758 CD2 LEU A 47 5.020 -15.198 10.179 1.00 62.43 C ATOM 0 H LEU A 47 2.640 -13.556 7.779 1.00 44.01 H new ATOM 0 HA LEU A 47 3.768 -12.773 10.290 1.00 12.43 H new ATOM 0 HB2 LEU A 47 5.004 -13.017 7.519 1.00 42.14 H new ATOM 0 HB3 LEU A 47 5.895 -12.888 9.022 1.00 42.14 H new ATOM 0 HG LEU A 47 4.043 -15.169 8.282 1.00 33.44 H new ATOM 0 HD11 LEU A 47 6.120 -16.480 8.060 1.00 1.22 H new ATOM 0 HD12 LEU A 47 6.063 -15.132 6.899 1.00 1.22 H new ATOM 0 HD13 LEU A 47 7.074 -15.007 8.358 1.00 1.22 H new ATOM 0 HD21 LEU A 47 5.014 -16.285 10.254 1.00 62.43 H new ATOM 0 HD22 LEU A 47 5.930 -14.807 10.635 1.00 62.43 H new ATOM 0 HD23 LEU A 47 4.152 -14.794 10.699 1.00 62.43 H new ATOM 770 N GLY A 48 3.271 -10.557 7.985 1.00 31.41 N ATOM 771 CA GLY A 48 3.427 -9.175 7.610 1.00 35.01 C ATOM 772 C GLY A 48 4.239 -9.034 6.344 1.00 1.43 C ATOM 773 O GLY A 48 4.309 -7.957 5.755 1.00 45.30 O ATOM 0 H GLY A 48 2.620 -11.087 7.406 1.00 31.41 H new ATOM 0 HA2 GLY A 48 2.446 -8.723 7.467 1.00 35.01 H new ATOM 0 HA3 GLY A 48 3.914 -8.630 8.419 1.00 35.01 H new ATOM 777 N ASP A 49 4.864 -10.128 5.931 1.00 55.15 N ATOM 778 CA ASP A 49 5.633 -10.152 4.697 1.00 13.44 C ATOM 779 C ASP A 49 5.601 -11.546 4.084 1.00 64.25 C ATOM 780 O ASP A 49 5.598 -12.550 4.803 1.00 73.14 O ATOM 781 CB ASP A 49 7.088 -9.728 4.946 1.00 60.41 C ATOM 782 CG ASP A 49 7.906 -10.791 5.656 1.00 63.21 C ATOM 783 OD1 ASP A 49 7.778 -10.928 6.889 1.00 52.43 O ATOM 784 OD2 ASP A 49 8.708 -11.475 4.983 1.00 43.01 O ATOM 0 H ASP A 49 4.852 -11.014 6.436 1.00 55.15 H new ATOM 0 HA ASP A 49 5.180 -9.443 4.004 1.00 13.44 H new ATOM 0 HB2 ASP A 49 7.560 -9.492 3.992 1.00 60.41 H new ATOM 0 HB3 ASP A 49 7.097 -8.814 5.540 1.00 60.41 H new ATOM 790 N PRO A 50 5.541 -11.626 2.748 1.00 52.14 N ATOM 791 CA PRO A 50 5.421 -10.458 1.887 1.00 43.53 C ATOM 792 C PRO A 50 3.964 -10.077 1.625 1.00 62.30 C ATOM 793 O PRO A 50 3.061 -10.911 1.737 1.00 54.22 O ATOM 794 CB PRO A 50 6.097 -10.928 0.605 1.00 63.50 C ATOM 795 CG PRO A 50 5.812 -12.395 0.540 1.00 2.31 C ATOM 796 CD PRO A 50 5.614 -12.869 1.963 1.00 22.23 C ATOM 0 HA PRO A 50 5.864 -9.564 2.325 1.00 43.53 H new ATOM 0 HB2 PRO A 50 5.698 -10.408 -0.266 1.00 63.50 H new ATOM 0 HB3 PRO A 50 7.169 -10.734 0.629 1.00 63.50 H new ATOM 0 HG2 PRO A 50 4.922 -12.589 -0.059 1.00 2.31 H new ATOM 0 HG3 PRO A 50 6.637 -12.928 0.067 1.00 2.31 H new ATOM 0 HD2 PRO A 50 4.703 -13.458 2.064 1.00 22.23 H new ATOM 0 HD3 PRO A 50 6.440 -13.500 2.292 1.00 22.23 H new ATOM 804 N ILE A 51 3.742 -8.814 1.307 1.00 74.35 N ATOM 805 CA ILE A 51 2.417 -8.331 0.974 1.00 3.25 C ATOM 806 C ILE A 51 2.340 -8.004 -0.512 1.00 70.42 C ATOM 807 O ILE A 51 2.981 -7.066 -0.989 1.00 15.22 O ATOM 808 CB ILE A 51 2.043 -7.079 1.798 1.00 32.11 C ATOM 809 CG1 ILE A 51 2.122 -7.386 3.296 1.00 43.30 C ATOM 810 CG2 ILE A 51 0.649 -6.589 1.424 1.00 50.21 C ATOM 811 CD1 ILE A 51 1.811 -6.196 4.179 1.00 55.32 C ATOM 0 H ILE A 51 4.470 -8.100 1.273 1.00 74.35 H new ATOM 0 HA ILE A 51 1.707 -9.121 1.216 1.00 3.25 H new ATOM 0 HB ILE A 51 2.756 -6.287 1.569 1.00 32.11 H new ATOM 0 HG12 ILE A 51 1.427 -8.192 3.530 1.00 43.30 H new ATOM 0 HG13 ILE A 51 3.122 -7.750 3.531 1.00 43.30 H new ATOM 0 HG21 ILE A 51 0.403 -5.707 2.015 1.00 50.21 H new ATOM 0 HG22 ILE A 51 0.625 -6.335 0.364 1.00 50.21 H new ATOM 0 HG23 ILE A 51 -0.079 -7.375 1.625 1.00 50.21 H new ATOM 0 HD11 ILE A 51 1.887 -6.490 5.226 1.00 55.32 H new ATOM 0 HD12 ILE A 51 2.522 -5.395 3.974 1.00 55.32 H new ATOM 0 HD13 ILE A 51 0.800 -5.845 3.973 1.00 55.32 H new ATOM 823 N GLN A 52 1.578 -8.798 -1.243 1.00 53.24 N ATOM 824 CA GLN A 52 1.388 -8.574 -2.666 1.00 45.11 C ATOM 825 C GLN A 52 0.275 -7.563 -2.886 1.00 60.23 C ATOM 826 O GLN A 52 -0.870 -7.789 -2.487 1.00 25.32 O ATOM 827 CB GLN A 52 1.062 -9.879 -3.405 1.00 23.23 C ATOM 828 CG GLN A 52 2.260 -10.793 -3.636 1.00 72.21 C ATOM 829 CD GLN A 52 2.832 -11.366 -2.354 1.00 15.32 C ATOM 830 OE1 GLN A 52 3.734 -10.790 -1.749 1.00 73.25 O ATOM 831 NE2 GLN A 52 2.315 -12.514 -1.942 1.00 24.12 N ATOM 0 H GLN A 52 1.079 -9.607 -0.873 1.00 53.24 H new ATOM 0 HA GLN A 52 2.322 -8.185 -3.071 1.00 45.11 H new ATOM 0 HB2 GLN A 52 0.309 -10.425 -2.836 1.00 23.23 H new ATOM 0 HB3 GLN A 52 0.617 -9.634 -4.369 1.00 23.23 H new ATOM 0 HG2 GLN A 52 1.963 -11.612 -4.291 1.00 72.21 H new ATOM 0 HG3 GLN A 52 3.039 -10.235 -4.156 1.00 72.21 H new ATOM 0 HE21 GLN A 52 1.567 -12.957 -2.476 1.00 24.12 H new ATOM 0 HE22 GLN A 52 2.665 -12.955 -1.091 1.00 24.12 H new ATOM 840 N ILE A 53 0.619 -6.447 -3.501 1.00 25.54 N ATOM 841 CA ILE A 53 -0.342 -5.395 -3.786 1.00 14.34 C ATOM 842 C ILE A 53 -0.373 -5.104 -5.280 1.00 63.55 C ATOM 843 O ILE A 53 0.671 -5.040 -5.922 1.00 63.33 O ATOM 844 CB ILE A 53 0.001 -4.101 -3.016 1.00 21.24 C ATOM 845 CG1 ILE A 53 1.463 -3.700 -3.259 1.00 75.34 C ATOM 846 CG2 ILE A 53 -0.274 -4.280 -1.527 1.00 10.11 C ATOM 847 CD1 ILE A 53 1.865 -2.399 -2.599 1.00 50.20 C ATOM 0 H ILE A 53 1.567 -6.243 -3.816 1.00 25.54 H new ATOM 0 HA ILE A 53 -1.323 -5.742 -3.460 1.00 14.34 H new ATOM 0 HB ILE A 53 -0.636 -3.297 -3.386 1.00 21.24 H new ATOM 0 HG12 ILE A 53 2.112 -4.496 -2.894 1.00 75.34 H new ATOM 0 HG13 ILE A 53 1.632 -3.618 -4.333 1.00 75.34 H new ATOM 0 HG21 ILE A 53 -0.027 -3.359 -0.998 1.00 10.11 H new ATOM 0 HG22 ILE A 53 -1.328 -4.513 -1.377 1.00 10.11 H new ATOM 0 HG23 ILE A 53 0.337 -5.096 -1.140 1.00 10.11 H new ATOM 0 HD11 ILE A 53 2.911 -2.188 -2.819 1.00 50.20 H new ATOM 0 HD12 ILE A 53 1.243 -1.590 -2.981 1.00 50.20 H new ATOM 0 HD13 ILE A 53 1.731 -2.481 -1.520 1.00 50.20 H new ATOM 859 N ASN A 54 -1.559 -4.938 -5.840 1.00 23.53 N ATOM 860 CA ASN A 54 -1.673 -4.669 -7.264 1.00 74.25 C ATOM 861 C ASN A 54 -1.741 -3.169 -7.497 1.00 31.15 C ATOM 862 O ASN A 54 -2.720 -2.514 -7.132 1.00 33.11 O ATOM 863 CB ASN A 54 -2.904 -5.361 -7.859 1.00 35.53 C ATOM 864 CG ASN A 54 -2.864 -5.393 -9.378 1.00 24.33 C ATOM 865 OD1 ASN A 54 -3.299 -4.458 -10.048 1.00 51.25 O ATOM 866 ND2 ASN A 54 -2.342 -6.480 -9.932 1.00 71.21 N ATOM 0 H ASN A 54 -2.446 -4.984 -5.339 1.00 23.53 H new ATOM 0 HA ASN A 54 -0.792 -5.070 -7.765 1.00 74.25 H new ATOM 0 HB2 ASN A 54 -2.966 -6.380 -7.477 1.00 35.53 H new ATOM 0 HB3 ASN A 54 -3.805 -4.842 -7.531 1.00 35.53 H new ATOM 0 HD21 ASN A 54 -2.291 -6.561 -10.948 1.00 71.21 H new ATOM 0 HD22 ASN A 54 -1.991 -7.235 -9.342 1.00 71.21 H new ATOM 873 N VAL A 55 -0.682 -2.627 -8.076 1.00 14.31 N ATOM 874 CA VAL A 55 -0.592 -1.201 -8.331 1.00 72.22 C ATOM 875 C VAL A 55 -0.422 -0.939 -9.822 1.00 4.40 C ATOM 876 O VAL A 55 0.523 -1.427 -10.445 1.00 11.11 O ATOM 877 CB VAL A 55 0.584 -0.559 -7.556 1.00 24.03 C ATOM 878 CG1 VAL A 55 0.633 0.942 -7.792 1.00 44.12 C ATOM 879 CG2 VAL A 55 0.481 -0.862 -6.068 1.00 52.13 C ATOM 0 H VAL A 55 0.133 -3.160 -8.380 1.00 14.31 H new ATOM 0 HA VAL A 55 -1.520 -0.747 -7.984 1.00 72.22 H new ATOM 0 HB VAL A 55 1.510 -0.994 -7.931 1.00 24.03 H new ATOM 0 HG11 VAL A 55 1.468 1.371 -7.237 1.00 44.12 H new ATOM 0 HG12 VAL A 55 0.765 1.139 -8.856 1.00 44.12 H new ATOM 0 HG13 VAL A 55 -0.299 1.394 -7.453 1.00 44.12 H new ATOM 0 HG21 VAL A 55 1.318 -0.401 -5.544 1.00 52.13 H new ATOM 0 HG22 VAL A 55 -0.455 -0.462 -5.679 1.00 52.13 H new ATOM 0 HG23 VAL A 55 0.506 -1.941 -5.914 1.00 52.13 H new ATOM 889 N ARG A 56 -1.365 -0.192 -10.386 1.00 12.23 N ATOM 890 CA ARG A 56 -1.346 0.182 -11.800 1.00 33.40 C ATOM 891 C ARG A 56 -1.379 -1.045 -12.713 1.00 12.35 C ATOM 892 O ARG A 56 -0.995 -0.970 -13.880 1.00 23.12 O ATOM 893 CB ARG A 56 -0.116 1.037 -12.123 1.00 60.04 C ATOM 894 CG ARG A 56 0.040 2.253 -11.225 1.00 14.53 C ATOM 895 CD ARG A 56 1.001 3.265 -11.821 1.00 5.12 C ATOM 896 NE ARG A 56 2.328 2.699 -12.064 1.00 64.54 N ATOM 897 CZ ARG A 56 3.439 3.426 -12.131 1.00 30.12 C ATOM 898 NH1 ARG A 56 3.378 4.744 -11.994 1.00 24.15 N ATOM 899 NH2 ARG A 56 4.608 2.839 -12.340 1.00 4.51 N ATOM 0 H ARG A 56 -2.168 0.174 -9.875 1.00 12.23 H new ATOM 0 HA ARG A 56 -2.246 0.768 -11.986 1.00 33.40 H new ATOM 0 HB2 ARG A 56 0.777 0.418 -12.039 1.00 60.04 H new ATOM 0 HB3 ARG A 56 -0.178 1.368 -13.160 1.00 60.04 H new ATOM 0 HG2 ARG A 56 -0.933 2.720 -11.071 1.00 14.53 H new ATOM 0 HG3 ARG A 56 0.401 1.939 -10.246 1.00 14.53 H new ATOM 0 HD2 ARG A 56 0.592 3.641 -12.759 1.00 5.12 H new ATOM 0 HD3 ARG A 56 1.090 4.117 -11.147 1.00 5.12 H new ATOM 0 HE ARG A 56 2.405 1.690 -12.189 1.00 64.54 H new ATOM 0 HH11 ARG A 56 2.479 5.199 -11.837 1.00 24.15 H new ATOM 0 HH12 ARG A 56 4.230 5.302 -12.045 1.00 24.15 H new ATOM 0 HH21 ARG A 56 4.658 1.826 -12.450 1.00 4.51 H new ATOM 0 HH22 ARG A 56 5.458 3.400 -12.391 1.00 4.51 H new ATOM 913 N GLY A 57 -1.849 -2.164 -12.181 1.00 50.33 N ATOM 914 CA GLY A 57 -1.958 -3.371 -12.975 1.00 11.15 C ATOM 915 C GLY A 57 -0.803 -4.326 -12.755 1.00 25.14 C ATOM 916 O GLY A 57 -0.769 -5.409 -13.338 1.00 12.35 O ATOM 0 H GLY A 57 -2.157 -2.258 -11.213 1.00 50.33 H new ATOM 0 HA2 GLY A 57 -2.893 -3.877 -12.732 1.00 11.15 H new ATOM 0 HA3 GLY A 57 -2.005 -3.103 -14.030 1.00 11.15 H new ATOM 920 N TYR A 58 0.144 -3.936 -11.915 1.00 24.00 N ATOM 921 CA TYR A 58 1.288 -4.788 -11.618 1.00 61.13 C ATOM 922 C TYR A 58 1.288 -5.175 -10.145 1.00 75.02 C ATOM 923 O TYR A 58 1.130 -4.325 -9.270 1.00 43.22 O ATOM 924 CB TYR A 58 2.595 -4.079 -11.983 1.00 64.22 C ATOM 925 CG TYR A 58 3.821 -4.957 -11.860 1.00 70.10 C ATOM 926 CD1 TYR A 58 4.138 -5.875 -12.850 1.00 31.41 C ATOM 927 CD2 TYR A 58 4.659 -4.868 -10.758 1.00 62.41 C ATOM 928 CE1 TYR A 58 5.257 -6.679 -12.748 1.00 75.43 C ATOM 929 CE2 TYR A 58 5.781 -5.669 -10.647 1.00 2.14 C ATOM 930 CZ TYR A 58 6.074 -6.572 -11.644 1.00 0.20 C ATOM 931 OH TYR A 58 7.191 -7.370 -11.540 1.00 13.22 O ATOM 0 H TYR A 58 0.144 -3.040 -11.428 1.00 24.00 H new ATOM 0 HA TYR A 58 1.210 -5.695 -12.218 1.00 61.13 H new ATOM 0 HB2 TYR A 58 2.524 -3.711 -13.007 1.00 64.22 H new ATOM 0 HB3 TYR A 58 2.717 -3.208 -11.339 1.00 64.22 H new ATOM 0 HD1 TYR A 58 3.499 -5.963 -13.716 1.00 31.41 H new ATOM 0 HD2 TYR A 58 4.431 -4.161 -9.974 1.00 62.41 H new ATOM 0 HE1 TYR A 58 5.490 -7.387 -13.529 1.00 75.43 H new ATOM 0 HE2 TYR A 58 6.424 -5.587 -9.783 1.00 2.14 H new ATOM 0 HH TYR A 58 7.659 -7.170 -10.703 1.00 13.22 H new ATOM 941 N GLU A 59 1.458 -6.462 -9.880 1.00 75.33 N ATOM 942 CA GLU A 59 1.469 -6.960 -8.514 1.00 21.03 C ATOM 943 C GLU A 59 2.859 -6.833 -7.893 1.00 12.04 C ATOM 944 O GLU A 59 3.809 -7.510 -8.290 1.00 52.00 O ATOM 945 CB GLU A 59 0.970 -8.408 -8.464 1.00 62.33 C ATOM 946 CG GLU A 59 1.623 -9.328 -9.484 1.00 65.12 C ATOM 947 CD GLU A 59 1.033 -10.721 -9.463 1.00 54.01 C ATOM 948 OE1 GLU A 59 1.559 -11.584 -8.736 1.00 3.01 O ATOM 949 OE2 GLU A 59 0.037 -10.962 -10.181 1.00 72.21 O ATOM 0 H GLU A 59 1.590 -7.179 -10.593 1.00 75.33 H new ATOM 0 HA GLU A 59 0.788 -6.347 -7.923 1.00 21.03 H new ATOM 0 HB2 GLU A 59 1.147 -8.807 -7.465 1.00 62.33 H new ATOM 0 HB3 GLU A 59 -0.108 -8.415 -8.623 1.00 62.33 H new ATOM 0 HG2 GLU A 59 1.507 -8.902 -10.481 1.00 65.12 H new ATOM 0 HG3 GLU A 59 2.693 -9.386 -9.285 1.00 65.12 H new ATOM 957 N LEU A 60 2.961 -5.941 -6.925 1.00 13.03 N ATOM 958 CA LEU A 60 4.208 -5.679 -6.232 1.00 51.40 C ATOM 959 C LEU A 60 4.274 -6.481 -4.944 1.00 15.11 C ATOM 960 O LEU A 60 3.350 -6.439 -4.132 1.00 45.43 O ATOM 961 CB LEU A 60 4.320 -4.188 -5.901 1.00 42.50 C ATOM 962 CG LEU A 60 4.340 -3.246 -7.102 1.00 41.41 C ATOM 963 CD1 LEU A 60 4.127 -1.811 -6.652 1.00 14.14 C ATOM 964 CD2 LEU A 60 5.660 -3.372 -7.844 1.00 2.44 C ATOM 0 H LEU A 60 2.178 -5.376 -6.596 1.00 13.03 H new ATOM 0 HA LEU A 60 5.032 -5.973 -6.882 1.00 51.40 H new ATOM 0 HB2 LEU A 60 3.483 -3.913 -5.260 1.00 42.50 H new ATOM 0 HB3 LEU A 60 5.230 -4.030 -5.323 1.00 42.50 H new ATOM 0 HG LEU A 60 3.529 -3.523 -7.776 1.00 41.41 H new ATOM 0 HD11 LEU A 60 4.144 -1.151 -7.520 1.00 14.14 H new ATOM 0 HD12 LEU A 60 3.163 -1.726 -6.150 1.00 14.14 H new ATOM 0 HD13 LEU A 60 4.921 -1.524 -5.963 1.00 14.14 H new ATOM 0 HD21 LEU A 60 5.663 -2.696 -8.699 1.00 2.44 H new ATOM 0 HD22 LEU A 60 6.480 -3.114 -7.174 1.00 2.44 H new ATOM 0 HD23 LEU A 60 5.785 -4.397 -8.192 1.00 2.44 H new ATOM 976 N SER A 61 5.351 -7.223 -4.761 1.00 2.11 N ATOM 977 CA SER A 61 5.578 -7.909 -3.507 1.00 60.34 C ATOM 978 C SER A 61 6.349 -6.996 -2.565 1.00 23.34 C ATOM 979 O SER A 61 7.546 -6.757 -2.753 1.00 3.34 O ATOM 980 CB SER A 61 6.341 -9.211 -3.755 1.00 45.21 C ATOM 981 OG SER A 61 7.495 -8.977 -4.546 1.00 1.11 O ATOM 0 H SER A 61 6.078 -7.364 -5.463 1.00 2.11 H new ATOM 0 HA SER A 61 4.623 -8.160 -3.046 1.00 60.34 H new ATOM 0 HB2 SER A 61 6.631 -9.654 -2.803 1.00 45.21 H new ATOM 0 HB3 SER A 61 5.691 -9.929 -4.256 1.00 45.21 H new ATOM 0 HG SER A 61 7.997 -8.221 -4.177 1.00 1.11 H new ATOM 987 N LEU A 62 5.657 -6.466 -1.572 1.00 61.03 N ATOM 988 CA LEU A 62 6.255 -5.524 -0.645 1.00 33.22 C ATOM 989 C LEU A 62 6.346 -6.150 0.740 1.00 34.44 C ATOM 990 O LEU A 62 5.374 -6.711 1.235 1.00 61.30 O ATOM 991 CB LEU A 62 5.412 -4.248 -0.597 1.00 32.41 C ATOM 992 CG LEU A 62 6.069 -3.048 0.084 1.00 51.10 C ATOM 993 CD1 LEU A 62 7.236 -2.537 -0.747 1.00 61.22 C ATOM 994 CD2 LEU A 62 5.050 -1.944 0.307 1.00 21.14 C ATOM 0 H LEU A 62 4.676 -6.674 -1.387 1.00 61.03 H new ATOM 0 HA LEU A 62 7.261 -5.272 -0.981 1.00 33.22 H new ATOM 0 HB2 LEU A 62 5.153 -3.967 -1.618 1.00 32.41 H new ATOM 0 HB3 LEU A 62 4.478 -4.470 -0.080 1.00 32.41 H new ATOM 0 HG LEU A 62 6.452 -3.366 1.054 1.00 51.10 H new ATOM 0 HD11 LEU A 62 7.692 -1.682 -0.247 1.00 61.22 H new ATOM 0 HD12 LEU A 62 7.976 -3.329 -0.860 1.00 61.22 H new ATOM 0 HD13 LEU A 62 6.877 -2.233 -1.730 1.00 61.22 H new ATOM 0 HD21 LEU A 62 5.533 -1.096 0.793 1.00 21.14 H new ATOM 0 HD22 LEU A 62 4.640 -1.628 -0.652 1.00 21.14 H new ATOM 0 HD23 LEU A 62 4.245 -2.315 0.941 1.00 21.14 H new ATOM 1006 N ARG A 63 7.514 -6.075 1.356 1.00 3.44 N ATOM 1007 CA ARG A 63 7.703 -6.651 2.677 1.00 12.14 C ATOM 1008 C ARG A 63 7.235 -5.680 3.759 1.00 74.15 C ATOM 1009 O ARG A 63 6.967 -4.508 3.481 1.00 62.13 O ATOM 1010 CB ARG A 63 9.166 -7.050 2.897 1.00 33.35 C ATOM 1011 CG ARG A 63 9.634 -8.163 1.969 1.00 51.32 C ATOM 1012 CD ARG A 63 11.060 -8.591 2.271 1.00 71.45 C ATOM 1013 NE ARG A 63 11.522 -9.629 1.348 1.00 2.00 N ATOM 1014 CZ ARG A 63 12.770 -10.091 1.305 1.00 61.22 C ATOM 1015 NH1 ARG A 63 13.680 -9.646 2.165 1.00 63.44 N ATOM 1016 NH2 ARG A 63 13.110 -11.015 0.413 1.00 71.43 N ATOM 0 H ARG A 63 8.341 -5.624 0.965 1.00 3.44 H new ATOM 0 HA ARG A 63 7.096 -7.554 2.744 1.00 12.14 H new ATOM 0 HB2 ARG A 63 9.800 -6.175 2.752 1.00 33.35 H new ATOM 0 HB3 ARG A 63 9.296 -7.370 3.931 1.00 33.35 H new ATOM 0 HG2 ARG A 63 8.969 -9.021 2.067 1.00 51.32 H new ATOM 0 HG3 ARG A 63 9.568 -7.825 0.935 1.00 51.32 H new ATOM 0 HD2 ARG A 63 11.721 -7.726 2.206 1.00 71.45 H new ATOM 0 HD3 ARG A 63 11.119 -8.962 3.294 1.00 71.45 H new ATOM 0 HE ARG A 63 10.844 -10.024 0.696 1.00 2.00 H new ATOM 0 HH11 ARG A 63 13.424 -8.947 2.862 1.00 63.44 H new ATOM 0 HH12 ARG A 63 14.635 -10.003 2.128 1.00 63.44 H new ATOM 0 HH21 ARG A 63 12.414 -11.373 -0.241 1.00 71.43 H new ATOM 0 HH22 ARG A 63 14.067 -11.367 0.383 1.00 71.43 H new ATOM 1030 N LYS A 64 7.151 -6.177 4.989 1.00 54.50 N ATOM 1031 CA LYS A 64 6.583 -5.416 6.099 1.00 5.10 C ATOM 1032 C LYS A 64 7.303 -4.088 6.308 1.00 41.21 C ATOM 1033 O LYS A 64 6.672 -3.091 6.645 1.00 53.44 O ATOM 1034 CB LYS A 64 6.624 -6.238 7.394 1.00 3.21 C ATOM 1035 CG LYS A 64 8.026 -6.626 7.834 1.00 14.52 C ATOM 1036 CD LYS A 64 8.016 -7.363 9.164 1.00 32.10 C ATOM 1037 CE LYS A 64 7.300 -8.698 9.062 1.00 34.11 C ATOM 1038 NZ LYS A 64 7.172 -9.355 10.387 1.00 3.12 N ATOM 0 H LYS A 64 7.472 -7.111 5.244 1.00 54.50 H new ATOM 0 HA LYS A 64 5.547 -5.199 5.841 1.00 5.10 H new ATOM 0 HB2 LYS A 64 6.149 -5.666 8.191 1.00 3.21 H new ATOM 0 HB3 LYS A 64 6.033 -7.144 7.257 1.00 3.21 H new ATOM 0 HG2 LYS A 64 8.485 -7.257 7.072 1.00 14.52 H new ATOM 0 HG3 LYS A 64 8.641 -5.730 7.919 1.00 14.52 H new ATOM 0 HD2 LYS A 64 9.041 -7.525 9.498 1.00 32.10 H new ATOM 0 HD3 LYS A 64 7.528 -6.745 9.918 1.00 32.10 H new ATOM 0 HE2 LYS A 64 6.309 -8.548 8.633 1.00 34.11 H new ATOM 0 HE3 LYS A 64 7.846 -9.353 8.382 1.00 34.11 H new ATOM 0 HZ1 LYS A 64 6.269 -9.869 10.434 1.00 3.12 H new ATOM 0 HZ2 LYS A 64 7.958 -10.023 10.521 1.00 3.12 H new ATOM 0 HZ3 LYS A 64 7.199 -8.634 11.136 1.00 3.12 H new ATOM 1052 N SER A 65 8.615 -4.079 6.083 1.00 4.23 N ATOM 1053 CA SER A 65 9.433 -2.899 6.336 1.00 31.11 C ATOM 1054 C SER A 65 8.879 -1.667 5.617 1.00 33.13 C ATOM 1055 O SER A 65 8.618 -0.641 6.243 1.00 72.35 O ATOM 1056 CB SER A 65 10.872 -3.166 5.895 1.00 72.22 C ATOM 1057 OG SER A 65 11.349 -4.390 6.434 1.00 72.14 O ATOM 0 H SER A 65 9.135 -4.880 5.724 1.00 4.23 H new ATOM 0 HA SER A 65 9.412 -2.693 7.406 1.00 31.11 H new ATOM 0 HB2 SER A 65 10.923 -3.199 4.807 1.00 72.22 H new ATOM 0 HB3 SER A 65 11.514 -2.347 6.219 1.00 72.22 H new ATOM 0 HG SER A 65 12.271 -4.541 6.137 1.00 72.14 H new ATOM 1063 N ALA A 66 8.677 -1.779 4.309 1.00 63.04 N ATOM 1064 CA ALA A 66 8.151 -0.665 3.529 1.00 53.41 C ATOM 1065 C ALA A 66 6.649 -0.495 3.745 1.00 34.21 C ATOM 1066 O ALA A 66 6.135 0.621 3.705 1.00 3.31 O ATOM 1067 CB ALA A 66 8.459 -0.839 2.050 1.00 30.22 C ATOM 0 H ALA A 66 8.868 -2.623 3.770 1.00 63.04 H new ATOM 0 HA ALA A 66 8.647 0.240 3.879 1.00 53.41 H new ATOM 0 HB1 ALA A 66 8.055 0.006 1.492 1.00 30.22 H new ATOM 0 HB2 ALA A 66 9.538 -0.886 1.906 1.00 30.22 H new ATOM 0 HB3 ALA A 66 8.004 -1.762 1.690 1.00 30.22 H new ATOM 1073 N ALA A 67 5.951 -1.601 3.989 1.00 24.20 N ATOM 1074 CA ALA A 67 4.503 -1.564 4.184 1.00 71.45 C ATOM 1075 C ALA A 67 4.131 -0.801 5.457 1.00 3.12 C ATOM 1076 O ALA A 67 3.032 -0.258 5.568 1.00 15.23 O ATOM 1077 CB ALA A 67 3.927 -2.975 4.215 1.00 74.40 C ATOM 0 H ALA A 67 6.362 -2.532 4.056 1.00 24.20 H new ATOM 0 HA ALA A 67 4.068 -1.032 3.338 1.00 71.45 H new ATOM 0 HB1 ALA A 67 2.848 -2.924 4.361 1.00 74.40 H new ATOM 0 HB2 ALA A 67 4.142 -3.477 3.272 1.00 74.40 H new ATOM 0 HB3 ALA A 67 4.378 -3.534 5.035 1.00 74.40 H new ATOM 1083 N GLU A 68 5.051 -0.758 6.416 1.00 22.42 N ATOM 1084 CA GLU A 68 4.842 0.004 7.644 1.00 3.02 C ATOM 1085 C GLU A 68 5.092 1.487 7.398 1.00 23.00 C ATOM 1086 O GLU A 68 4.539 2.346 8.084 1.00 12.21 O ATOM 1087 CB GLU A 68 5.766 -0.491 8.758 1.00 42.32 C ATOM 1088 CG GLU A 68 5.529 -1.936 9.157 1.00 2.01 C ATOM 1089 CD GLU A 68 6.437 -2.379 10.283 1.00 50.03 C ATOM 1090 OE1 GLU A 68 7.674 -2.262 10.141 1.00 2.35 O ATOM 1091 OE2 GLU A 68 5.916 -2.852 11.315 1.00 2.51 O ATOM 0 H GLU A 68 5.948 -1.241 6.367 1.00 22.42 H new ATOM 0 HA GLU A 68 3.807 -0.141 7.955 1.00 3.02 H new ATOM 0 HB2 GLU A 68 6.801 -0.379 8.435 1.00 42.32 H new ATOM 0 HB3 GLU A 68 5.635 0.144 9.634 1.00 42.32 H new ATOM 0 HG2 GLU A 68 4.490 -2.060 9.461 1.00 2.01 H new ATOM 0 HG3 GLU A 68 5.687 -2.580 8.292 1.00 2.01 H new ATOM 1099 N MET A 69 5.911 1.777 6.396 1.00 31.20 N ATOM 1100 CA MET A 69 6.325 3.146 6.111 1.00 42.35 C ATOM 1101 C MET A 69 5.301 3.868 5.242 1.00 71.25 C ATOM 1102 O MET A 69 5.361 5.087 5.073 1.00 21.52 O ATOM 1103 CB MET A 69 7.691 3.148 5.422 1.00 14.45 C ATOM 1104 CG MET A 69 8.805 2.579 6.286 1.00 14.43 C ATOM 1105 SD MET A 69 10.361 2.391 5.392 1.00 51.42 S ATOM 1106 CE MET A 69 10.659 4.077 4.870 1.00 44.42 C ATOM 0 H MET A 69 6.304 1.080 5.764 1.00 31.20 H new ATOM 0 HA MET A 69 6.397 3.679 7.059 1.00 42.35 H new ATOM 0 HB2 MET A 69 7.625 2.570 4.500 1.00 14.45 H new ATOM 0 HB3 MET A 69 7.946 4.170 5.140 1.00 14.45 H new ATOM 0 HG2 MET A 69 8.962 3.232 7.144 1.00 14.43 H new ATOM 0 HG3 MET A 69 8.496 1.609 6.676 1.00 14.43 H new ATOM 0 HE1 MET A 69 11.706 4.329 5.036 1.00 44.42 H new ATOM 0 HE2 MET A 69 10.425 4.176 3.810 1.00 44.42 H new ATOM 0 HE3 MET A 69 10.027 4.753 5.446 1.00 44.42 H new ATOM 1116 N ILE A 70 4.362 3.119 4.693 1.00 43.11 N ATOM 1117 CA ILE A 70 3.336 3.700 3.846 1.00 53.43 C ATOM 1118 C ILE A 70 2.059 3.956 4.641 1.00 62.34 C ATOM 1119 O ILE A 70 1.396 3.019 5.089 1.00 51.12 O ATOM 1120 CB ILE A 70 3.017 2.798 2.634 1.00 32.34 C ATOM 1121 CG1 ILE A 70 4.290 2.527 1.824 1.00 54.32 C ATOM 1122 CG2 ILE A 70 1.956 3.444 1.749 1.00 13.14 C ATOM 1123 CD1 ILE A 70 4.076 1.614 0.634 1.00 62.43 C ATOM 0 H ILE A 70 4.288 2.109 4.818 1.00 43.11 H new ATOM 0 HA ILE A 70 3.727 4.648 3.475 1.00 53.43 H new ATOM 0 HB ILE A 70 2.627 1.849 3.004 1.00 32.34 H new ATOM 0 HG12 ILE A 70 4.695 3.476 1.473 1.00 54.32 H new ATOM 0 HG13 ILE A 70 5.039 2.084 2.480 1.00 54.32 H new ATOM 0 HG21 ILE A 70 1.745 2.793 0.900 1.00 13.14 H new ATOM 0 HG22 ILE A 70 1.044 3.595 2.326 1.00 13.14 H new ATOM 0 HG23 ILE A 70 2.320 4.406 1.387 1.00 13.14 H new ATOM 0 HD11 ILE A 70 5.022 1.470 0.111 1.00 62.43 H new ATOM 0 HD12 ILE A 70 3.701 0.650 0.978 1.00 62.43 H new ATOM 0 HD13 ILE A 70 3.351 2.064 -0.044 1.00 62.43 H new ATOM 1135 N GLU A 71 1.737 5.227 4.823 1.00 12.33 N ATOM 1136 CA GLU A 71 0.513 5.630 5.496 1.00 42.40 C ATOM 1137 C GLU A 71 -0.632 5.592 4.493 1.00 24.13 C ATOM 1138 O GLU A 71 -0.612 6.322 3.495 1.00 42.35 O ATOM 1139 CB GLU A 71 0.673 7.047 6.048 1.00 32.51 C ATOM 1140 CG GLU A 71 -0.402 7.477 7.033 1.00 71.02 C ATOM 1141 CD GLU A 71 -0.101 7.038 8.451 1.00 62.01 C ATOM 1142 OE1 GLU A 71 1.076 7.142 8.865 1.00 2.12 O ATOM 1143 OE2 GLU A 71 -1.038 6.626 9.169 1.00 1.35 O ATOM 0 H GLU A 71 2.315 6.006 4.509 1.00 12.33 H new ATOM 0 HA GLU A 71 0.302 4.951 6.322 1.00 42.40 H new ATOM 0 HB2 GLU A 71 1.644 7.123 6.537 1.00 32.51 H new ATOM 0 HB3 GLU A 71 0.681 7.748 5.213 1.00 32.51 H new ATOM 0 HG2 GLU A 71 -0.502 8.562 7.006 1.00 71.02 H new ATOM 0 HG3 GLU A 71 -1.361 7.061 6.723 1.00 71.02 H new ATOM 1151 N VAL A 72 -1.611 4.738 4.736 1.00 40.22 N ATOM 1152 CA VAL A 72 -2.703 4.566 3.792 1.00 35.15 C ATOM 1153 C VAL A 72 -4.049 4.866 4.430 1.00 25.24 C ATOM 1154 O VAL A 72 -4.206 4.833 5.652 1.00 30.33 O ATOM 1155 CB VAL A 72 -2.735 3.144 3.187 1.00 35.21 C ATOM 1156 CG1 VAL A 72 -1.520 2.906 2.305 1.00 61.11 C ATOM 1157 CG2 VAL A 72 -2.813 2.090 4.279 1.00 1.54 C ATOM 0 H VAL A 72 -1.673 4.157 5.572 1.00 40.22 H new ATOM 0 HA VAL A 72 -2.519 5.281 2.990 1.00 35.15 H new ATOM 0 HB VAL A 72 -3.630 3.063 2.570 1.00 35.21 H new ATOM 0 HG11 VAL A 72 -1.563 1.899 1.890 1.00 61.11 H new ATOM 0 HG12 VAL A 72 -1.512 3.633 1.493 1.00 61.11 H new ATOM 0 HG13 VAL A 72 -0.612 3.015 2.899 1.00 61.11 H new ATOM 0 HG21 VAL A 72 -2.834 1.098 3.827 1.00 1.54 H new ATOM 0 HG22 VAL A 72 -1.942 2.174 4.929 1.00 1.54 H new ATOM 0 HG23 VAL A 72 -3.719 2.241 4.866 1.00 1.54 H new ATOM 1167 N GLU A 73 -5.014 5.164 3.584 1.00 12.25 N ATOM 1168 CA GLU A 73 -6.364 5.452 4.021 1.00 44.22 C ATOM 1169 C GLU A 73 -7.346 4.625 3.204 1.00 62.34 C ATOM 1170 O GLU A 73 -7.147 4.425 2.007 1.00 41.54 O ATOM 1171 CB GLU A 73 -6.663 6.951 3.870 1.00 62.21 C ATOM 1172 CG GLU A 73 -8.039 7.359 4.371 1.00 34.31 C ATOM 1173 CD GLU A 73 -8.248 7.010 5.829 1.00 54.24 C ATOM 1174 OE1 GLU A 73 -8.131 7.913 6.686 1.00 73.04 O ATOM 1175 OE2 GLU A 73 -8.519 5.827 6.128 1.00 54.34 O ATOM 0 H GLU A 73 -4.884 5.213 2.574 1.00 12.25 H new ATOM 0 HA GLU A 73 -6.468 5.190 5.074 1.00 44.22 H new ATOM 0 HB2 GLU A 73 -5.907 7.519 4.412 1.00 62.21 H new ATOM 0 HB3 GLU A 73 -6.574 7.225 2.819 1.00 62.21 H new ATOM 0 HG2 GLU A 73 -8.169 8.433 4.235 1.00 34.31 H new ATOM 0 HG3 GLU A 73 -8.803 6.867 3.769 1.00 34.31 H new ATOM 1183 N LEU A 74 -8.397 4.145 3.849 1.00 24.44 N ATOM 1184 CA LEU A 74 -9.396 3.319 3.181 1.00 32.40 C ATOM 1185 C LEU A 74 -10.203 4.134 2.176 1.00 33.12 C ATOM 1186 O LEU A 74 -10.088 5.364 2.113 1.00 41.32 O ATOM 1187 CB LEU A 74 -10.336 2.672 4.205 1.00 3.42 C ATOM 1188 CG LEU A 74 -9.934 1.274 4.692 1.00 70.02 C ATOM 1189 CD1 LEU A 74 -9.940 0.284 3.537 1.00 73.02 C ATOM 1190 CD2 LEU A 74 -8.570 1.297 5.364 1.00 64.31 C ATOM 0 H LEU A 74 -8.583 4.313 4.838 1.00 24.44 H new ATOM 0 HA LEU A 74 -8.867 2.534 2.641 1.00 32.40 H new ATOM 0 HB2 LEU A 74 -10.408 3.331 5.071 1.00 3.42 H new ATOM 0 HB3 LEU A 74 -11.332 2.611 3.767 1.00 3.42 H new ATOM 0 HG LEU A 74 -10.668 0.953 5.431 1.00 70.02 H new ATOM 0 HD11 LEU A 74 -9.652 -0.702 3.902 1.00 73.02 H new ATOM 0 HD12 LEU A 74 -10.940 0.234 3.106 1.00 73.02 H new ATOM 0 HD13 LEU A 74 -9.232 0.610 2.775 1.00 73.02 H new ATOM 0 HD21 LEU A 74 -8.312 0.292 5.699 1.00 64.31 H new ATOM 0 HD22 LEU A 74 -7.820 1.646 4.654 1.00 64.31 H new ATOM 0 HD23 LEU A 74 -8.598 1.969 6.222 1.00 64.31 H new