USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 667 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 11 SER OG : rot 19:sc= 0.108 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= -0.0144 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.0999 X(o=-0.1,f=-0.0029) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 55:sc= 1.04 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.422 USER MOD Single : A 63 THR OG1 : rot 145:sc= 0.3 USER MOD Single : A 64 LYS NZ :NH3+ -126:sc= -1.02 (180deg=-2.87!) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.153 USER MOD Single : A 70 ASN : amide:sc= -0.014 K(o=-0.014,f=-2.3) USER MOD Single : A 73 GLN :FLIP amide:sc= 0.0172 F(o=-0.6,f=0.017) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.101 USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 TYR OH : rot 125:sc= 0.472 USER MOD Single : A 84 GLN : amide:sc= -0.5 K(o=-0.5,f=-1.8) USER MOD ----------------------------------------------------------------- ATOM 114 N ALA A 9 -5.080 3.462 -13.006 1.00 71.31 N ATOM 115 CA ALA A 9 -6.428 3.387 -12.457 1.00 12.44 C ATOM 116 C ALA A 9 -7.406 2.814 -13.477 1.00 21.45 C ATOM 117 O ALA A 9 -7.970 3.546 -14.290 1.00 64.41 O ATOM 118 CB ALA A 9 -6.888 4.763 -11.998 1.00 42.52 C ATOM 0 HA ALA A 9 -6.406 2.717 -11.597 1.00 12.44 H new ATOM 0 HB1 ALA A 9 -7.896 4.692 -11.590 1.00 42.52 H new ATOM 0 HB2 ALA A 9 -6.211 5.135 -11.229 1.00 42.52 H new ATOM 0 HB3 ALA A 9 -6.887 5.449 -12.845 1.00 42.52 H new ATOM 124 N ARG A 10 -7.602 1.500 -13.428 1.00 23.04 N ATOM 125 CA ARG A 10 -8.510 0.828 -14.349 1.00 11.11 C ATOM 126 C ARG A 10 -9.914 0.735 -13.758 1.00 24.05 C ATOM 127 O ARG A 10 -10.905 0.978 -14.445 1.00 72.33 O ATOM 128 CB ARG A 10 -7.991 -0.572 -14.680 1.00 62.23 C ATOM 129 CG ARG A 10 -7.286 -0.658 -16.024 1.00 71.23 C ATOM 130 CD ARG A 10 -5.946 0.059 -15.997 1.00 45.13 C ATOM 131 NE ARG A 10 -5.093 -0.332 -17.117 1.00 1.14 N ATOM 132 CZ ARG A 10 -4.384 -1.455 -17.143 1.00 42.10 C ATOM 133 NH1 ARG A 10 -4.426 -2.293 -16.117 1.00 24.41 N ATOM 134 NH2 ARG A 10 -3.631 -1.741 -18.198 1.00 33.12 N ATOM 0 H ARG A 10 -7.144 0.880 -12.760 1.00 23.04 H new ATOM 0 HA ARG A 10 -8.558 1.416 -15.265 1.00 11.11 H new ATOM 0 HB2 ARG A 10 -7.302 -0.890 -13.897 1.00 62.23 H new ATOM 0 HB3 ARG A 10 -8.827 -1.271 -14.672 1.00 62.23 H new ATOM 0 HG2 ARG A 10 -7.135 -1.704 -16.290 1.00 71.23 H new ATOM 0 HG3 ARG A 10 -7.918 -0.221 -16.796 1.00 71.23 H new ATOM 0 HD2 ARG A 10 -6.111 1.136 -16.026 1.00 45.13 H new ATOM 0 HD3 ARG A 10 -5.436 -0.161 -15.059 1.00 45.13 H new ATOM 0 HE ARG A 10 -5.039 0.291 -17.923 1.00 1.14 H new ATOM 0 HH11 ARG A 10 -5.004 -2.076 -15.305 1.00 24.41 H new ATOM 0 HH12 ARG A 10 -3.881 -3.155 -16.140 1.00 24.41 H new ATOM 0 HH21 ARG A 10 -3.597 -1.098 -18.989 1.00 33.12 H new ATOM 0 HH22 ARG A 10 -3.087 -2.603 -18.217 1.00 33.12 H new ATOM 148 N SER A 11 -9.989 0.381 -12.478 1.00 40.44 N ATOM 149 CA SER A 11 -11.271 0.252 -11.795 1.00 62.24 C ATOM 150 C SER A 11 -11.853 1.624 -11.469 1.00 34.52 C ATOM 151 O SER A 11 -11.177 2.478 -10.899 1.00 4.15 O ATOM 152 CB SER A 11 -11.109 -0.565 -10.512 1.00 5.31 C ATOM 153 OG SER A 11 -10.280 0.109 -9.580 1.00 54.11 O ATOM 0 H SER A 11 -9.178 0.179 -11.894 1.00 40.44 H new ATOM 0 HA SER A 11 -11.960 -0.266 -12.462 1.00 62.24 H new ATOM 0 HB2 SER A 11 -12.087 -0.748 -10.068 1.00 5.31 H new ATOM 0 HB3 SER A 11 -10.679 -1.538 -10.749 1.00 5.31 H new ATOM 0 HG SER A 11 -10.227 1.059 -9.816 1.00 54.11 H new ATOM 159 N GLY A 12 -13.115 1.826 -11.835 1.00 54.34 N ATOM 160 CA GLY A 12 -13.769 3.095 -11.574 1.00 10.31 C ATOM 161 C GLY A 12 -13.431 4.146 -12.612 1.00 50.44 C ATOM 162 O GLY A 12 -12.714 3.872 -13.574 1.00 20.55 O ATOM 0 H GLY A 12 -13.696 1.134 -12.308 1.00 54.34 H new ATOM 0 HA2 GLY A 12 -14.848 2.946 -11.551 1.00 10.31 H new ATOM 0 HA3 GLY A 12 -13.476 3.455 -10.588 1.00 10.31 H new ATOM 166 N GLY A 13 -13.951 5.355 -12.420 1.00 4.21 N ATOM 167 CA GLY A 13 -13.690 6.432 -13.357 1.00 0.42 C ATOM 168 C GLY A 13 -12.473 7.251 -12.975 1.00 0.31 C ATOM 169 O GLY A 13 -11.440 6.701 -12.593 1.00 2.43 O ATOM 0 H GLY A 13 -14.548 5.607 -11.632 1.00 4.21 H new ATOM 0 HA2 GLY A 13 -13.545 6.015 -14.354 1.00 0.42 H new ATOM 0 HA3 GLY A 13 -14.562 7.084 -13.408 1.00 0.42 H new ATOM 173 N LYS A 14 -12.593 8.570 -13.079 1.00 41.54 N ATOM 174 CA LYS A 14 -11.494 9.468 -12.743 1.00 14.24 C ATOM 175 C LYS A 14 -12.017 10.755 -12.113 1.00 11.33 C ATOM 176 O LYS A 14 -12.979 11.351 -12.599 1.00 64.54 O ATOM 177 CB LYS A 14 -10.675 9.796 -13.993 1.00 22.12 C ATOM 178 CG LYS A 14 -9.907 8.608 -14.546 1.00 31.45 C ATOM 179 CD LYS A 14 -8.910 8.069 -13.534 1.00 22.52 C ATOM 180 CE LYS A 14 -7.490 8.100 -14.079 1.00 52.30 C ATOM 181 NZ LYS A 14 -6.716 9.255 -13.544 1.00 32.50 N ATOM 0 H LYS A 14 -13.441 9.041 -13.394 1.00 41.54 H new ATOM 0 HA LYS A 14 -10.854 8.963 -12.019 1.00 14.24 H new ATOM 0 HB2 LYS A 14 -11.343 10.177 -14.765 1.00 22.12 H new ATOM 0 HB3 LYS A 14 -9.972 10.595 -13.757 1.00 22.12 H new ATOM 0 HG2 LYS A 14 -10.606 7.820 -14.825 1.00 31.45 H new ATOM 0 HG3 LYS A 14 -9.381 8.904 -15.454 1.00 31.45 H new ATOM 0 HD2 LYS A 14 -8.963 8.660 -12.620 1.00 22.52 H new ATOM 0 HD3 LYS A 14 -9.177 7.046 -13.268 1.00 22.52 H new ATOM 0 HE2 LYS A 14 -6.981 7.171 -13.821 1.00 52.30 H new ATOM 0 HE3 LYS A 14 -7.520 8.155 -15.167 1.00 52.30 H new ATOM 0 HZ1 LYS A 14 -5.754 9.241 -13.939 1.00 32.50 H new ATOM 0 HZ2 LYS A 14 -7.187 10.143 -13.812 1.00 32.50 H new ATOM 0 HZ3 LYS A 14 -6.666 9.189 -12.507 1.00 32.50 H new ATOM 195 N VAL A 15 -11.377 11.181 -11.028 1.00 61.42 N ATOM 196 CA VAL A 15 -11.776 12.399 -10.333 1.00 62.24 C ATOM 197 C VAL A 15 -10.559 13.216 -9.915 1.00 41.52 C ATOM 198 O VAL A 15 -9.542 12.666 -9.493 1.00 25.20 O ATOM 199 CB VAL A 15 -12.621 12.082 -9.086 1.00 33.04 C ATOM 200 CG1 VAL A 15 -13.222 13.355 -8.510 1.00 52.32 C ATOM 201 CG2 VAL A 15 -13.710 11.074 -9.422 1.00 24.31 C ATOM 0 H VAL A 15 -10.580 10.700 -10.611 1.00 61.42 H new ATOM 0 HA VAL A 15 -12.378 12.980 -11.032 1.00 62.24 H new ATOM 0 HB VAL A 15 -11.970 11.642 -8.331 1.00 33.04 H new ATOM 0 HG11 VAL A 15 -13.816 13.111 -7.629 1.00 52.32 H new ATOM 0 HG12 VAL A 15 -12.422 14.041 -8.230 1.00 52.32 H new ATOM 0 HG13 VAL A 15 -13.859 13.827 -9.258 1.00 52.32 H new ATOM 0 HG21 VAL A 15 -14.297 10.862 -8.529 1.00 24.31 H new ATOM 0 HG22 VAL A 15 -14.360 11.485 -10.195 1.00 24.31 H new ATOM 0 HG23 VAL A 15 -13.254 10.152 -9.784 1.00 24.31 H new ATOM 211 N THR A 16 -10.670 14.536 -10.035 1.00 22.13 N ATOM 212 CA THR A 16 -9.579 15.431 -9.670 1.00 22.32 C ATOM 213 C THR A 16 -9.928 16.246 -8.430 1.00 24.01 C ATOM 214 O THR A 16 -10.849 17.062 -8.450 1.00 41.54 O ATOM 215 CB THR A 16 -9.232 16.393 -10.822 1.00 20.41 C ATOM 216 OG1 THR A 16 -8.277 17.364 -10.379 1.00 34.42 O ATOM 217 CG2 THR A 16 -10.480 17.097 -11.333 1.00 3.01 C ATOM 0 H THR A 16 -11.505 15.008 -10.382 1.00 22.13 H new ATOM 0 HA THR A 16 -8.713 14.804 -9.457 1.00 22.32 H new ATOM 0 HB THR A 16 -8.804 15.810 -11.637 1.00 20.41 H new ATOM 0 HG1 THR A 16 -8.061 17.971 -11.118 1.00 34.42 H new ATOM 0 HG21 THR A 16 -10.210 17.771 -12.146 1.00 3.01 H new ATOM 0 HG22 THR A 16 -11.192 16.356 -11.697 1.00 3.01 H new ATOM 0 HG23 THR A 16 -10.933 17.669 -10.523 1.00 3.01 H new ATOM 225 N PHE A 17 -9.185 16.020 -7.351 1.00 15.11 N ATOM 226 CA PHE A 17 -9.417 16.734 -6.101 1.00 1.23 C ATOM 227 C PHE A 17 -8.351 17.804 -5.880 1.00 73.20 C ATOM 228 O PHE A 17 -7.154 17.532 -5.976 1.00 55.04 O ATOM 229 CB PHE A 17 -9.425 15.756 -4.924 1.00 52.11 C ATOM 230 CG PHE A 17 -10.771 15.141 -4.666 1.00 23.44 C ATOM 231 CD1 PHE A 17 -11.621 15.677 -3.712 1.00 22.42 C ATOM 232 CD2 PHE A 17 -11.185 14.026 -5.376 1.00 72.32 C ATOM 233 CE1 PHE A 17 -12.860 15.113 -3.472 1.00 22.13 C ATOM 234 CE2 PHE A 17 -12.423 13.458 -5.141 1.00 11.01 C ATOM 235 CZ PHE A 17 -13.261 14.001 -4.187 1.00 1.54 C ATOM 0 H PHE A 17 -8.418 15.349 -7.317 1.00 15.11 H new ATOM 0 HA PHE A 17 -10.389 17.222 -6.166 1.00 1.23 H new ATOM 0 HB2 PHE A 17 -8.703 14.963 -5.116 1.00 52.11 H new ATOM 0 HB3 PHE A 17 -9.094 16.278 -4.026 1.00 52.11 H new ATOM 0 HD1 PHE A 17 -11.312 16.546 -3.149 1.00 22.42 H new ATOM 0 HD2 PHE A 17 -10.533 13.596 -6.122 1.00 72.32 H new ATOM 0 HE1 PHE A 17 -13.514 15.541 -2.726 1.00 22.13 H new ATOM 0 HE2 PHE A 17 -12.735 12.590 -5.703 1.00 11.01 H new ATOM 0 HZ PHE A 17 -14.228 13.557 -4.000 1.00 1.54 H new ATOM 245 N ARG A 18 -8.796 19.021 -5.584 1.00 64.10 N ATOM 246 CA ARG A 18 -7.881 20.132 -5.351 1.00 53.44 C ATOM 247 C ARG A 18 -7.951 20.599 -3.900 1.00 41.13 C ATOM 248 O ARG A 18 -8.912 21.253 -3.494 1.00 30.22 O ATOM 249 CB ARG A 18 -8.210 21.296 -6.289 1.00 21.22 C ATOM 250 CG ARG A 18 -9.696 21.603 -6.380 1.00 43.22 C ATOM 251 CD ARG A 18 -9.968 22.758 -7.332 1.00 31.41 C ATOM 252 NE ARG A 18 -10.101 24.029 -6.626 1.00 11.20 N ATOM 253 CZ ARG A 18 -10.338 25.186 -7.234 1.00 54.01 C ATOM 254 NH1 ARG A 18 -10.469 25.231 -8.553 1.00 3.12 N ATOM 255 NH2 ARG A 18 -10.446 26.301 -6.523 1.00 35.02 N ATOM 0 H ARG A 18 -9.783 19.262 -5.500 1.00 64.10 H new ATOM 0 HA ARG A 18 -6.868 19.785 -5.554 1.00 53.44 H new ATOM 0 HB2 ARG A 18 -7.684 22.187 -5.947 1.00 21.22 H new ATOM 0 HB3 ARG A 18 -7.833 21.066 -7.286 1.00 21.22 H new ATOM 0 HG2 ARG A 18 -10.232 20.716 -6.719 1.00 43.22 H new ATOM 0 HG3 ARG A 18 -10.080 21.848 -5.390 1.00 43.22 H new ATOM 0 HD2 ARG A 18 -9.157 22.829 -8.057 1.00 31.41 H new ATOM 0 HD3 ARG A 18 -10.881 22.558 -7.893 1.00 31.41 H new ATOM 0 HE ARG A 18 -10.007 24.029 -5.610 1.00 11.20 H new ATOM 0 HH11 ARG A 18 -10.388 24.376 -9.103 1.00 3.12 H new ATOM 0 HH12 ARG A 18 -10.651 26.121 -9.017 1.00 3.12 H new ATOM 0 HH21 ARG A 18 -10.347 26.270 -5.508 1.00 35.02 H new ATOM 0 HH22 ARG A 18 -10.628 27.189 -6.991 1.00 35.02 H new ATOM 269 N ILE A 19 -6.927 20.258 -3.125 1.00 10.50 N ATOM 270 CA ILE A 19 -6.872 20.643 -1.720 1.00 53.11 C ATOM 271 C ILE A 19 -5.834 21.736 -1.489 1.00 61.33 C ATOM 272 O ILE A 19 -4.696 21.631 -1.947 1.00 63.15 O ATOM 273 CB ILE A 19 -6.542 19.438 -0.819 1.00 54.41 C ATOM 274 CG1 ILE A 19 -7.411 18.237 -1.198 1.00 13.32 C ATOM 275 CG2 ILE A 19 -6.741 19.802 0.645 1.00 63.11 C ATOM 276 CD1 ILE A 19 -8.895 18.501 -1.071 1.00 14.24 C ATOM 0 H ILE A 19 -6.125 19.716 -3.446 1.00 10.50 H new ATOM 0 HA ILE A 19 -7.860 21.023 -1.458 1.00 53.11 H new ATOM 0 HB ILE A 19 -5.497 19.167 -0.967 1.00 54.41 H new ATOM 0 HG12 ILE A 19 -7.188 17.947 -2.225 1.00 13.32 H new ATOM 0 HG13 ILE A 19 -7.145 17.392 -0.563 1.00 13.32 H new ATOM 0 HG21 ILE A 19 -6.504 18.941 1.270 1.00 63.11 H new ATOM 0 HG22 ILE A 19 -6.084 20.631 0.906 1.00 63.11 H new ATOM 0 HG23 ILE A 19 -7.778 20.095 0.809 1.00 63.11 H new ATOM 0 HD11 ILE A 19 -9.449 17.607 -1.356 1.00 14.24 H new ATOM 0 HD12 ILE A 19 -9.131 18.761 -0.039 1.00 14.24 H new ATOM 0 HD13 ILE A 19 -9.175 19.326 -1.726 1.00 14.24 H new ATOM 288 N ILE A 20 -6.233 22.782 -0.775 1.00 13.41 N ATOM 289 CA ILE A 20 -5.336 23.893 -0.481 1.00 33.13 C ATOM 290 C ILE A 20 -4.733 23.758 0.913 1.00 22.32 C ATOM 291 O ILE A 20 -5.449 23.765 1.915 1.00 11.33 O ATOM 292 CB ILE A 20 -6.063 25.247 -0.584 1.00 35.41 C ATOM 293 CG1 ILE A 20 -6.750 25.379 -1.945 1.00 20.01 C ATOM 294 CG2 ILE A 20 -5.086 26.391 -0.364 1.00 43.32 C ATOM 295 CD1 ILE A 20 -5.801 25.250 -3.116 1.00 3.34 C ATOM 0 H ILE A 20 -7.172 22.884 -0.389 1.00 13.41 H new ATOM 0 HA ILE A 20 -4.539 23.860 -1.224 1.00 33.13 H new ATOM 0 HB ILE A 20 -6.826 25.293 0.193 1.00 35.41 H new ATOM 0 HG12 ILE A 20 -7.523 24.615 -2.028 1.00 20.01 H new ATOM 0 HG13 ILE A 20 -7.250 26.346 -1.998 1.00 20.01 H new ATOM 0 HG21 ILE A 20 -5.615 27.341 -0.440 1.00 43.32 H new ATOM 0 HG22 ILE A 20 -4.639 26.303 0.626 1.00 43.32 H new ATOM 0 HG23 ILE A 20 -4.302 26.351 -1.120 1.00 43.32 H new ATOM 0 HD11 ILE A 20 -6.357 25.354 -4.048 1.00 3.34 H new ATOM 0 HD12 ILE A 20 -5.042 26.030 -3.057 1.00 3.34 H new ATOM 0 HD13 ILE A 20 -5.319 24.273 -3.088 1.00 3.34 H new ATOM 307 N LEU A 21 -3.411 23.636 0.970 1.00 33.23 N ATOM 308 CA LEU A 21 -2.710 23.501 2.242 1.00 24.02 C ATOM 309 C LEU A 21 -2.109 24.834 2.677 1.00 52.01 C ATOM 310 O LEU A 21 -1.743 25.664 1.844 1.00 15.31 O ATOM 311 CB LEU A 21 -1.609 22.445 2.130 1.00 24.13 C ATOM 312 CG LEU A 21 -0.920 22.335 0.769 1.00 31.34 C ATOM 313 CD1 LEU A 21 -0.303 23.667 0.374 1.00 2.21 C ATOM 314 CD2 LEU A 21 0.138 21.241 0.794 1.00 53.11 C ATOM 0 H LEU A 21 -2.804 23.628 0.151 1.00 33.23 H new ATOM 0 HA LEU A 21 -3.432 23.186 2.995 1.00 24.02 H new ATOM 0 HB2 LEU A 21 -0.850 22.659 2.883 1.00 24.13 H new ATOM 0 HB3 LEU A 21 -2.038 21.474 2.377 1.00 24.13 H new ATOM 0 HG LEU A 21 -1.670 22.070 0.024 1.00 31.34 H new ATOM 0 HD11 LEU A 21 0.183 23.569 -0.597 1.00 2.21 H new ATOM 0 HD12 LEU A 21 -1.083 24.426 0.315 1.00 2.21 H new ATOM 0 HD13 LEU A 21 0.434 23.962 1.121 1.00 2.21 H new ATOM 0 HD21 LEU A 21 0.618 21.177 -0.182 1.00 53.11 H new ATOM 0 HD22 LEU A 21 0.886 21.475 1.551 1.00 53.11 H new ATOM 0 HD23 LEU A 21 -0.331 20.286 1.031 1.00 53.11 H new ATOM 326 N THR A 22 -2.008 25.033 3.988 1.00 70.54 N ATOM 327 CA THR A 22 -1.451 26.264 4.533 1.00 21.45 C ATOM 328 C THR A 22 0.025 26.096 4.874 1.00 65.44 C ATOM 329 O THR A 22 0.703 27.059 5.232 1.00 63.31 O ATOM 330 CB THR A 22 -2.209 26.712 5.797 1.00 34.40 C ATOM 331 OG1 THR A 22 -2.264 25.637 6.742 1.00 13.42 O ATOM 332 CG2 THR A 22 -3.621 27.161 5.450 1.00 3.22 C ATOM 0 H THR A 22 -2.305 24.357 4.692 1.00 70.54 H new ATOM 0 HA THR A 22 -1.559 27.028 3.763 1.00 21.45 H new ATOM 0 HB THR A 22 -1.674 27.554 6.236 1.00 34.40 H new ATOM 0 HG1 THR A 22 -2.746 25.930 7.543 1.00 13.42 H new ATOM 0 HG21 THR A 22 -4.137 27.473 6.358 1.00 3.22 H new ATOM 0 HG22 THR A 22 -3.576 27.998 4.753 1.00 3.22 H new ATOM 0 HG23 THR A 22 -4.163 26.335 4.990 1.00 3.22 H new ATOM 340 N SER A 23 0.518 24.867 4.759 1.00 64.54 N ATOM 341 CA SER A 23 1.915 24.572 5.057 1.00 31.12 C ATOM 342 C SER A 23 2.815 24.965 3.890 1.00 52.53 C ATOM 343 O SER A 23 4.031 25.080 4.041 1.00 34.30 O ATOM 344 CB SER A 23 2.089 23.085 5.371 1.00 73.30 C ATOM 345 OG SER A 23 3.361 22.621 4.955 1.00 63.14 O ATOM 0 H SER A 23 -0.029 24.059 4.462 1.00 64.54 H new ATOM 0 HA SER A 23 2.205 25.157 5.930 1.00 31.12 H new ATOM 0 HB2 SER A 23 1.971 22.920 6.442 1.00 73.30 H new ATOM 0 HB3 SER A 23 1.308 22.511 4.872 1.00 73.30 H new ATOM 0 HG SER A 23 3.448 21.668 5.168 1.00 63.14 H new ATOM 351 N GLU A 24 2.207 25.171 2.725 1.00 0.24 N ATOM 352 CA GLU A 24 2.953 25.551 1.532 1.00 42.04 C ATOM 353 C GLU A 24 2.351 26.796 0.886 1.00 34.24 C ATOM 354 O GLU A 24 1.803 26.734 -0.214 1.00 40.05 O ATOM 355 CB GLU A 24 2.969 24.399 0.525 1.00 24.41 C ATOM 356 CG GLU A 24 4.207 24.378 -0.356 1.00 70.32 C ATOM 357 CD GLU A 24 5.214 23.329 0.076 1.00 14.44 C ATOM 358 OE1 GLU A 24 6.407 23.673 0.211 1.00 13.41 O ATOM 359 OE2 GLU A 24 4.809 22.166 0.280 1.00 30.20 O ATOM 0 H GLU A 24 1.201 25.081 2.583 1.00 0.24 H new ATOM 0 HA GLU A 24 3.976 25.777 1.832 1.00 42.04 H new ATOM 0 HB2 GLU A 24 2.902 23.455 1.065 1.00 24.41 H new ATOM 0 HB3 GLU A 24 2.084 24.468 -0.108 1.00 24.41 H new ATOM 0 HG2 GLU A 24 3.911 24.188 -1.388 1.00 70.32 H new ATOM 0 HG3 GLU A 24 4.680 25.360 -0.335 1.00 70.32 H new ATOM 366 N ARG A 25 2.455 27.924 1.580 1.00 4.44 N ATOM 367 CA ARG A 25 1.920 29.183 1.077 1.00 53.40 C ATOM 368 C ARG A 25 2.651 29.617 -0.190 1.00 53.23 C ATOM 369 O ARG A 25 2.177 30.483 -0.926 1.00 62.35 O ATOM 370 CB ARG A 25 2.035 30.274 2.144 1.00 73.14 C ATOM 371 CG ARG A 25 1.586 31.645 1.664 1.00 34.41 C ATOM 372 CD ARG A 25 1.098 32.506 2.818 1.00 14.12 C ATOM 373 NE ARG A 25 0.054 33.439 2.402 1.00 50.03 N ATOM 374 CZ ARG A 25 0.291 34.539 1.696 1.00 13.42 C ATOM 375 NH1 ARG A 25 1.528 34.843 1.330 1.00 24.41 N ATOM 376 NH2 ARG A 25 -0.712 35.339 1.355 1.00 61.20 N ATOM 0 H ARG A 25 2.905 27.992 2.493 1.00 4.44 H new ATOM 0 HA ARG A 25 0.868 29.031 0.835 1.00 53.40 H new ATOM 0 HB2 ARG A 25 1.438 29.988 3.010 1.00 73.14 H new ATOM 0 HB3 ARG A 25 3.071 30.336 2.478 1.00 73.14 H new ATOM 0 HG2 ARG A 25 2.414 32.145 1.160 1.00 34.41 H new ATOM 0 HG3 ARG A 25 0.788 31.532 0.930 1.00 34.41 H new ATOM 0 HD2 ARG A 25 0.716 31.865 3.612 1.00 14.12 H new ATOM 0 HD3 ARG A 25 1.937 33.063 3.235 1.00 14.12 H new ATOM 0 HE ARG A 25 -0.909 33.235 2.668 1.00 50.03 H new ATOM 0 HH11 ARG A 25 2.302 34.231 1.590 1.00 24.41 H new ATOM 0 HH12 ARG A 25 1.706 35.688 0.788 1.00 24.41 H new ATOM 0 HH21 ARG A 25 -1.665 35.109 1.635 1.00 61.20 H new ATOM 0 HH22 ARG A 25 -0.529 36.183 0.813 1.00 61.20 H new ATOM 390 N SER A 26 3.807 29.010 -0.438 1.00 0.25 N ATOM 391 CA SER A 26 4.606 29.337 -1.613 1.00 73.41 C ATOM 392 C SER A 26 3.803 29.120 -2.892 1.00 62.24 C ATOM 393 O SER A 26 3.990 29.828 -3.881 1.00 73.04 O ATOM 394 CB SER A 26 5.877 28.486 -1.645 1.00 32.25 C ATOM 395 OG SER A 26 7.030 29.297 -1.781 1.00 5.44 O ATOM 0 H SER A 26 4.211 28.289 0.159 1.00 0.25 H new ATOM 0 HA SER A 26 4.884 30.389 -1.552 1.00 73.41 H new ATOM 0 HB2 SER A 26 5.948 27.898 -0.730 1.00 32.25 H new ATOM 0 HB3 SER A 26 5.825 27.780 -2.474 1.00 32.25 H new ATOM 0 HG SER A 26 7.829 28.730 -1.797 1.00 5.44 H new ATOM 401 N GLN A 27 2.910 28.136 -2.864 1.00 22.24 N ATOM 402 CA GLN A 27 2.080 27.825 -4.021 1.00 35.32 C ATOM 403 C GLN A 27 1.115 26.686 -3.708 1.00 33.31 C ATOM 404 O GLN A 27 1.217 25.586 -4.251 1.00 65.32 O ATOM 405 CB GLN A 27 2.955 27.453 -5.219 1.00 23.55 C ATOM 406 CG GLN A 27 4.011 26.406 -4.899 1.00 12.33 C ATOM 407 CD GLN A 27 4.405 25.585 -6.111 1.00 13.34 C ATOM 408 OE1 GLN A 27 5.566 25.578 -6.519 1.00 25.54 O ATOM 409 NE2 GLN A 27 3.437 24.888 -6.694 1.00 33.14 N ATOM 0 H GLN A 27 2.743 27.541 -2.053 1.00 22.24 H new ATOM 0 HA GLN A 27 1.498 28.713 -4.268 1.00 35.32 H new ATOM 0 HB2 GLN A 27 2.318 27.081 -6.022 1.00 23.55 H new ATOM 0 HB3 GLN A 27 3.447 28.351 -5.592 1.00 23.55 H new ATOM 0 HG2 GLN A 27 4.896 26.899 -4.496 1.00 12.33 H new ATOM 0 HG3 GLN A 27 3.634 25.741 -4.122 1.00 12.33 H new ATOM 0 HE21 GLN A 27 2.488 24.923 -6.322 1.00 33.14 H new ATOM 0 HE22 GLN A 27 3.642 24.317 -7.514 1.00 33.14 H new ATOM 418 N PRO A 28 0.154 26.953 -2.811 1.00 20.01 N ATOM 419 CA PRO A 28 -0.848 25.963 -2.405 1.00 71.25 C ATOM 420 C PRO A 28 -1.840 25.652 -3.521 1.00 71.21 C ATOM 421 O PRO A 28 -2.812 26.381 -3.723 1.00 23.35 O ATOM 422 CB PRO A 28 -1.559 26.639 -1.231 1.00 34.45 C ATOM 423 CG PRO A 28 -1.371 28.098 -1.462 1.00 50.14 C ATOM 424 CD PRO A 28 -0.028 28.242 -2.124 1.00 12.54 C ATOM 0 HA PRO A 28 -0.395 25.004 -2.152 1.00 71.25 H new ATOM 0 HB2 PRO A 28 -2.616 26.376 -1.204 1.00 34.45 H new ATOM 0 HB3 PRO A 28 -1.129 26.331 -0.278 1.00 34.45 H new ATOM 0 HG2 PRO A 28 -2.163 28.498 -2.095 1.00 50.14 H new ATOM 0 HG3 PRO A 28 -1.404 28.650 -0.522 1.00 50.14 H new ATOM 0 HD2 PRO A 28 -0.013 29.077 -2.825 1.00 12.54 H new ATOM 0 HD3 PRO A 28 0.762 28.424 -1.395 1.00 12.54 H new ATOM 432 N PHE A 29 -1.589 24.565 -4.243 1.00 74.04 N ATOM 433 CA PHE A 29 -2.461 24.158 -5.340 1.00 22.24 C ATOM 434 C PHE A 29 -2.044 22.796 -5.889 1.00 13.45 C ATOM 435 O PHE A 29 -1.736 22.661 -7.073 1.00 32.53 O ATOM 436 CB PHE A 29 -2.431 25.202 -6.458 1.00 30.14 C ATOM 437 CG PHE A 29 -3.455 24.961 -7.530 1.00 0.41 C ATOM 438 CD1 PHE A 29 -4.776 24.707 -7.200 1.00 14.11 C ATOM 439 CD2 PHE A 29 -3.096 24.989 -8.868 1.00 22.02 C ATOM 440 CE1 PHE A 29 -5.721 24.486 -8.184 1.00 73.31 C ATOM 441 CE2 PHE A 29 -4.036 24.769 -9.856 1.00 73.33 C ATOM 442 CZ PHE A 29 -5.350 24.516 -9.514 1.00 73.51 C ATOM 0 H PHE A 29 -0.790 23.950 -4.089 1.00 74.04 H new ATOM 0 HA PHE A 29 -3.477 24.079 -4.954 1.00 22.24 H new ATOM 0 HB2 PHE A 29 -2.594 26.190 -6.027 1.00 30.14 H new ATOM 0 HB3 PHE A 29 -1.439 25.211 -6.910 1.00 30.14 H new ATOM 0 HD1 PHE A 29 -5.071 24.681 -6.161 1.00 14.11 H new ATOM 0 HD2 PHE A 29 -2.070 25.185 -9.141 1.00 22.02 H new ATOM 0 HE1 PHE A 29 -6.748 24.290 -7.913 1.00 73.31 H new ATOM 0 HE2 PHE A 29 -3.744 24.795 -10.895 1.00 73.33 H new ATOM 0 HZ PHE A 29 -6.086 24.342 -10.285 1.00 73.51 H new ATOM 452 N ARG A 30 -2.037 21.791 -5.019 1.00 10.52 N ATOM 453 CA ARG A 30 -1.657 20.441 -5.415 1.00 62.11 C ATOM 454 C ARG A 30 -2.885 19.620 -5.795 1.00 34.53 C ATOM 455 O ARG A 30 -3.752 19.357 -4.960 1.00 62.04 O ATOM 456 CB ARG A 30 -0.898 19.749 -4.282 1.00 24.34 C ATOM 457 CG ARG A 30 -0.228 18.450 -4.701 1.00 13.10 C ATOM 458 CD ARG A 30 0.760 18.674 -5.835 1.00 73.41 C ATOM 459 NE ARG A 30 2.096 18.189 -5.500 1.00 42.41 N ATOM 460 CZ ARG A 30 3.171 18.423 -6.245 1.00 52.22 C ATOM 461 NH1 ARG A 30 3.066 19.131 -7.361 1.00 44.14 N ATOM 462 NH2 ARG A 30 4.353 17.949 -5.874 1.00 21.11 N ATOM 0 H ARG A 30 -2.290 21.887 -4.036 1.00 10.52 H new ATOM 0 HA ARG A 30 -1.007 20.515 -6.287 1.00 62.11 H new ATOM 0 HB2 ARG A 30 -0.140 20.430 -3.895 1.00 24.34 H new ATOM 0 HB3 ARG A 30 -1.590 19.544 -3.465 1.00 24.34 H new ATOM 0 HG2 ARG A 30 0.290 18.014 -3.847 1.00 13.10 H new ATOM 0 HG3 ARG A 30 -0.986 17.732 -5.014 1.00 13.10 H new ATOM 0 HD2 ARG A 30 0.404 18.166 -6.731 1.00 73.41 H new ATOM 0 HD3 ARG A 30 0.808 19.737 -6.069 1.00 73.41 H new ATOM 0 HE ARG A 30 2.210 17.641 -4.648 1.00 42.41 H new ATOM 0 HH11 ARG A 30 2.159 19.497 -7.649 1.00 44.14 H new ATOM 0 HH12 ARG A 30 3.893 19.309 -7.931 1.00 44.14 H new ATOM 0 HH21 ARG A 30 4.437 17.404 -5.016 1.00 21.11 H new ATOM 0 HH22 ARG A 30 5.177 18.129 -6.447 1.00 21.11 H new ATOM 476 N VAL A 31 -2.954 19.217 -7.060 1.00 30.13 N ATOM 477 CA VAL A 31 -4.076 18.425 -7.550 1.00 43.02 C ATOM 478 C VAL A 31 -3.761 16.934 -7.496 1.00 14.21 C ATOM 479 O VAL A 31 -2.663 16.508 -7.853 1.00 23.00 O ATOM 480 CB VAL A 31 -4.444 18.809 -8.996 1.00 22.52 C ATOM 481 CG1 VAL A 31 -4.854 20.271 -9.073 1.00 4.45 C ATOM 482 CG2 VAL A 31 -3.282 18.522 -9.935 1.00 21.21 C ATOM 0 H VAL A 31 -2.246 19.426 -7.764 1.00 30.13 H new ATOM 0 HA VAL A 31 -4.923 18.638 -6.898 1.00 43.02 H new ATOM 0 HB VAL A 31 -5.293 18.202 -9.310 1.00 22.52 H new ATOM 0 HG11 VAL A 31 -5.110 20.523 -10.102 1.00 4.45 H new ATOM 0 HG12 VAL A 31 -5.719 20.441 -8.432 1.00 4.45 H new ATOM 0 HG13 VAL A 31 -4.027 20.899 -8.741 1.00 4.45 H new ATOM 0 HG21 VAL A 31 -3.559 18.799 -10.952 1.00 21.21 H new ATOM 0 HG22 VAL A 31 -2.412 19.101 -9.625 1.00 21.21 H new ATOM 0 HG23 VAL A 31 -3.041 17.460 -9.901 1.00 21.21 H new ATOM 492 N ILE A 32 -4.733 16.146 -7.048 1.00 2.45 N ATOM 493 CA ILE A 32 -4.560 14.702 -6.948 1.00 50.51 C ATOM 494 C ILE A 32 -5.584 13.966 -7.805 1.00 13.02 C ATOM 495 O ILE A 32 -6.784 14.228 -7.719 1.00 0.02 O ATOM 496 CB ILE A 32 -4.684 14.220 -5.491 1.00 30.31 C ATOM 497 CG1 ILE A 32 -5.931 14.817 -4.837 1.00 55.40 C ATOM 498 CG2 ILE A 32 -3.437 14.590 -4.702 1.00 42.13 C ATOM 499 CD1 ILE A 32 -6.202 14.281 -3.449 1.00 32.40 C ATOM 0 H ILE A 32 -5.648 16.483 -6.749 1.00 2.45 H new ATOM 0 HA ILE A 32 -3.557 14.478 -7.311 1.00 50.51 H new ATOM 0 HB ILE A 32 -4.781 13.134 -5.491 1.00 30.31 H new ATOM 0 HG12 ILE A 32 -5.820 15.900 -4.784 1.00 55.40 H new ATOM 0 HG13 ILE A 32 -6.795 14.616 -5.470 1.00 55.40 H new ATOM 0 HG21 ILE A 32 -3.540 14.242 -3.674 1.00 42.13 H new ATOM 0 HG22 ILE A 32 -2.565 14.121 -5.158 1.00 42.13 H new ATOM 0 HG23 ILE A 32 -3.311 15.673 -4.708 1.00 42.13 H new ATOM 0 HD11 ILE A 32 -7.101 14.749 -3.047 1.00 32.40 H new ATOM 0 HD12 ILE A 32 -6.345 13.202 -3.497 1.00 32.40 H new ATOM 0 HD13 ILE A 32 -5.355 14.506 -2.800 1.00 32.40 H new ATOM 511 N SER A 33 -5.103 13.042 -8.630 1.00 23.01 N ATOM 512 CA SER A 33 -5.976 12.268 -9.504 1.00 71.03 C ATOM 513 C SER A 33 -6.351 10.938 -8.858 1.00 63.53 C ATOM 514 O SER A 33 -5.484 10.121 -8.545 1.00 45.25 O ATOM 515 CB SER A 33 -5.294 12.020 -10.851 1.00 74.23 C ATOM 516 OG SER A 33 -5.499 13.109 -11.735 1.00 35.42 O ATOM 0 H SER A 33 -4.113 12.811 -8.711 1.00 23.01 H new ATOM 0 HA SER A 33 -6.888 12.842 -9.667 1.00 71.03 H new ATOM 0 HB2 SER A 33 -4.226 11.868 -10.699 1.00 74.23 H new ATOM 0 HB3 SER A 33 -5.686 11.106 -11.298 1.00 74.23 H new ATOM 0 HG SER A 33 -5.052 12.927 -12.588 1.00 35.42 H new ATOM 522 N ILE A 34 -7.648 10.727 -8.662 1.00 2.12 N ATOM 523 CA ILE A 34 -8.138 9.496 -8.054 1.00 50.13 C ATOM 524 C ILE A 34 -9.543 9.163 -8.544 1.00 14.32 C ATOM 525 O ILE A 34 -10.364 10.055 -8.759 1.00 60.31 O ATOM 526 CB ILE A 34 -8.152 9.593 -6.517 1.00 45.33 C ATOM 527 CG1 ILE A 34 -8.735 8.316 -5.909 1.00 0.41 C ATOM 528 CG2 ILE A 34 -8.947 10.811 -6.071 1.00 21.24 C ATOM 529 CD1 ILE A 34 -8.743 8.317 -4.396 1.00 74.03 C ATOM 0 H ILE A 34 -8.378 11.392 -8.915 1.00 2.12 H new ATOM 0 HA ILE A 34 -7.453 8.702 -8.353 1.00 50.13 H new ATOM 0 HB ILE A 34 -7.127 9.704 -6.165 1.00 45.33 H new ATOM 0 HG12 ILE A 34 -9.755 8.184 -6.270 1.00 0.41 H new ATOM 0 HG13 ILE A 34 -8.159 7.460 -6.261 1.00 0.41 H new ATOM 0 HG21 ILE A 34 -8.948 10.866 -4.982 1.00 21.24 H new ATOM 0 HG22 ILE A 34 -8.491 11.713 -6.480 1.00 21.24 H new ATOM 0 HG23 ILE A 34 -9.972 10.728 -6.431 1.00 21.24 H new ATOM 0 HD11 ILE A 34 -9.170 7.382 -4.034 1.00 74.03 H new ATOM 0 HD12 ILE A 34 -7.722 8.417 -4.027 1.00 74.03 H new ATOM 0 HD13 ILE A 34 -9.343 9.153 -4.036 1.00 74.03 H new ATOM 541 N ALA A 35 -9.814 7.874 -8.716 1.00 32.43 N ATOM 542 CA ALA A 35 -11.122 7.422 -9.176 1.00 4.31 C ATOM 543 C ALA A 35 -12.176 7.596 -8.089 1.00 14.55 C ATOM 544 O ALA A 35 -11.872 7.524 -6.899 1.00 24.43 O ATOM 545 CB ALA A 35 -11.052 5.968 -9.619 1.00 12.25 C ATOM 0 H ALA A 35 -9.145 7.123 -8.544 1.00 32.43 H new ATOM 0 HA ALA A 35 -11.412 8.036 -10.028 1.00 4.31 H new ATOM 0 HB1 ALA A 35 -12.035 5.644 -9.960 1.00 12.25 H new ATOM 0 HB2 ALA A 35 -10.335 5.870 -10.434 1.00 12.25 H new ATOM 0 HB3 ALA A 35 -10.736 5.347 -8.781 1.00 12.25 H new ATOM 551 N GLU A 36 -13.417 7.828 -8.506 1.00 33.42 N ATOM 552 CA GLU A 36 -14.516 8.014 -7.566 1.00 34.33 C ATOM 553 C GLU A 36 -14.702 6.775 -6.694 1.00 13.21 C ATOM 554 O GLU A 36 -15.258 6.853 -5.599 1.00 30.21 O ATOM 555 CB GLU A 36 -15.813 8.321 -8.317 1.00 52.14 C ATOM 556 CG GLU A 36 -16.847 9.049 -7.475 1.00 11.11 C ATOM 557 CD GLU A 36 -18.247 8.943 -8.049 1.00 4.41 C ATOM 558 OE1 GLU A 36 -18.371 8.787 -9.282 1.00 32.43 O ATOM 559 OE2 GLU A 36 -19.217 9.018 -7.266 1.00 63.42 O ATOM 0 H GLU A 36 -13.686 7.892 -9.488 1.00 33.42 H new ATOM 0 HA GLU A 36 -14.269 8.858 -6.921 1.00 34.33 H new ATOM 0 HB2 GLU A 36 -15.581 8.925 -9.194 1.00 52.14 H new ATOM 0 HB3 GLU A 36 -16.243 7.387 -8.678 1.00 52.14 H new ATOM 0 HG2 GLU A 36 -16.841 8.640 -6.465 1.00 11.11 H new ATOM 0 HG3 GLU A 36 -16.570 10.100 -7.395 1.00 11.11 H new ATOM 566 N GLU A 37 -14.233 5.634 -7.189 1.00 54.13 N ATOM 567 CA GLU A 37 -14.349 4.379 -6.456 1.00 74.02 C ATOM 568 C GLU A 37 -12.972 3.836 -6.086 1.00 72.21 C ATOM 569 O GLU A 37 -12.849 2.725 -5.570 1.00 15.51 O ATOM 570 CB GLU A 37 -15.111 3.345 -7.288 1.00 42.04 C ATOM 571 CG GLU A 37 -16.523 3.084 -6.792 1.00 1.42 C ATOM 572 CD GLU A 37 -17.490 4.187 -7.177 1.00 4.40 C ATOM 573 OE1 GLU A 37 -18.003 4.870 -6.266 1.00 13.11 O ATOM 574 OE2 GLU A 37 -17.733 4.368 -8.388 1.00 63.33 O ATOM 0 H GLU A 37 -13.769 5.553 -8.094 1.00 54.13 H new ATOM 0 HA GLU A 37 -14.902 4.574 -5.537 1.00 74.02 H new ATOM 0 HB2 GLU A 37 -15.156 3.685 -8.323 1.00 42.04 H new ATOM 0 HB3 GLU A 37 -14.555 2.408 -7.285 1.00 42.04 H new ATOM 0 HG2 GLU A 37 -16.878 2.137 -7.199 1.00 1.42 H new ATOM 0 HG3 GLU A 37 -16.510 2.980 -5.707 1.00 1.42 H new ATOM 581 N ALA A 38 -11.939 4.627 -6.355 1.00 2.13 N ATOM 582 CA ALA A 38 -10.571 4.227 -6.049 1.00 42.31 C ATOM 583 C ALA A 38 -10.215 4.549 -4.602 1.00 11.43 C ATOM 584 O ALA A 38 -10.793 5.441 -3.979 1.00 25.32 O ATOM 585 CB ALA A 38 -9.597 4.910 -6.998 1.00 70.34 C ATOM 0 H ALA A 38 -12.023 5.548 -6.784 1.00 2.13 H new ATOM 0 HA ALA A 38 -10.496 3.148 -6.183 1.00 42.31 H new ATOM 0 HB1 ALA A 38 -8.579 4.602 -6.758 1.00 70.34 H new ATOM 0 HB2 ALA A 38 -9.830 4.626 -8.024 1.00 70.34 H new ATOM 0 HB3 ALA A 38 -9.684 5.991 -6.892 1.00 70.34 H new ATOM 591 N PRO A 39 -9.242 3.808 -4.051 1.00 72.25 N ATOM 592 CA PRO A 39 -8.788 3.996 -2.671 1.00 10.45 C ATOM 593 C PRO A 39 -8.030 5.306 -2.483 1.00 41.24 C ATOM 594 O PRO A 39 -7.509 5.876 -3.443 1.00 10.51 O ATOM 595 CB PRO A 39 -7.859 2.803 -2.437 1.00 21.44 C ATOM 596 CG PRO A 39 -7.377 2.426 -3.795 1.00 23.01 C ATOM 597 CD PRO A 39 -8.510 2.728 -4.735 1.00 54.44 C ATOM 0 HA PRO A 39 -9.622 4.048 -1.972 1.00 10.45 H new ATOM 0 HB2 PRO A 39 -7.029 3.070 -1.782 1.00 21.44 H new ATOM 0 HB3 PRO A 39 -8.388 1.977 -1.961 1.00 21.44 H new ATOM 0 HG2 PRO A 39 -6.485 2.992 -4.064 1.00 23.01 H new ATOM 0 HG3 PRO A 39 -7.108 1.370 -3.835 1.00 23.01 H new ATOM 0 HD2 PRO A 39 -8.147 3.045 -5.713 1.00 54.44 H new ATOM 0 HD3 PRO A 39 -9.141 1.854 -4.897 1.00 54.44 H new ATOM 605 N LEU A 40 -7.971 5.778 -1.243 1.00 52.21 N ATOM 606 CA LEU A 40 -7.275 7.022 -0.930 1.00 35.41 C ATOM 607 C LEU A 40 -5.805 6.938 -1.326 1.00 21.51 C ATOM 608 O LEU A 40 -5.151 7.957 -1.551 1.00 33.14 O ATOM 609 CB LEU A 40 -7.396 7.335 0.563 1.00 74.44 C ATOM 610 CG LEU A 40 -6.394 8.346 1.119 1.00 12.45 C ATOM 611 CD1 LEU A 40 -7.026 9.164 2.235 1.00 3.43 C ATOM 612 CD2 LEU A 40 -5.143 7.639 1.617 1.00 24.54 C ATOM 0 H LEU A 40 -8.396 5.319 -0.438 1.00 52.21 H new ATOM 0 HA LEU A 40 -7.741 7.824 -1.502 1.00 35.41 H new ATOM 0 HB2 LEU A 40 -8.402 7.707 0.756 1.00 74.44 H new ATOM 0 HB3 LEU A 40 -7.289 6.404 1.119 1.00 74.44 H new ATOM 0 HG LEU A 40 -6.108 9.024 0.315 1.00 12.45 H new ATOM 0 HD11 LEU A 40 -6.298 9.879 2.619 1.00 3.43 H new ATOM 0 HD12 LEU A 40 -7.892 9.701 1.847 1.00 3.43 H new ATOM 0 HD13 LEU A 40 -7.341 8.499 3.039 1.00 3.43 H new ATOM 0 HD21 LEU A 40 -4.441 8.375 2.009 1.00 24.54 H new ATOM 0 HD22 LEU A 40 -5.412 6.937 2.406 1.00 24.54 H new ATOM 0 HD23 LEU A 40 -4.678 7.098 0.793 1.00 24.54 H new ATOM 624 N THR A 41 -5.289 5.715 -1.412 1.00 54.11 N ATOM 625 CA THR A 41 -3.897 5.497 -1.782 1.00 43.22 C ATOM 626 C THR A 41 -3.572 6.161 -3.116 1.00 21.24 C ATOM 627 O THR A 41 -2.445 6.600 -3.343 1.00 11.33 O ATOM 628 CB THR A 41 -3.569 3.995 -1.876 1.00 3.11 C ATOM 629 OG1 THR A 41 -4.048 3.315 -0.710 1.00 52.44 O ATOM 630 CG2 THR A 41 -2.070 3.776 -2.016 1.00 42.32 C ATOM 0 H THR A 41 -5.816 4.861 -1.230 1.00 54.11 H new ATOM 0 HA THR A 41 -3.288 5.946 -0.998 1.00 43.22 H new ATOM 0 HB THR A 41 -4.063 3.593 -2.760 1.00 3.11 H new ATOM 0 HG1 THR A 41 -3.837 2.360 -0.778 1.00 52.44 H new ATOM 0 HG21 THR A 41 -1.863 2.708 -2.081 1.00 42.32 H new ATOM 0 HG22 THR A 41 -1.713 4.270 -2.920 1.00 42.32 H new ATOM 0 HG23 THR A 41 -1.559 4.193 -1.148 1.00 42.32 H new ATOM 638 N ALA A 42 -4.566 6.231 -3.994 1.00 75.44 N ATOM 639 CA ALA A 42 -4.387 6.844 -5.305 1.00 24.54 C ATOM 640 C ALA A 42 -3.970 8.305 -5.175 1.00 21.34 C ATOM 641 O ALA A 42 -3.023 8.750 -5.822 1.00 70.23 O ATOM 642 CB ALA A 42 -5.665 6.728 -6.121 1.00 71.13 C ATOM 0 H ALA A 42 -5.505 5.871 -3.822 1.00 75.44 H new ATOM 0 HA ALA A 42 -3.590 6.311 -5.823 1.00 24.54 H new ATOM 0 HB1 ALA A 42 -5.517 7.190 -7.097 1.00 71.13 H new ATOM 0 HB2 ALA A 42 -5.919 5.676 -6.252 1.00 71.13 H new ATOM 0 HB3 ALA A 42 -6.477 7.235 -5.599 1.00 71.13 H new ATOM 648 N ALA A 43 -4.684 9.046 -4.334 1.00 2.21 N ATOM 649 CA ALA A 43 -4.387 10.457 -4.119 1.00 21.15 C ATOM 650 C ALA A 43 -3.125 10.630 -3.280 1.00 11.51 C ATOM 651 O ALA A 43 -2.422 11.635 -3.398 1.00 62.33 O ATOM 652 CB ALA A 43 -5.566 11.148 -3.451 1.00 11.54 C ATOM 0 H ALA A 43 -5.472 8.693 -3.791 1.00 2.21 H new ATOM 0 HA ALA A 43 -4.212 10.919 -5.091 1.00 21.15 H new ATOM 0 HB1 ALA A 43 -5.331 12.201 -3.296 1.00 11.54 H new ATOM 0 HB2 ALA A 43 -6.446 11.063 -4.088 1.00 11.54 H new ATOM 0 HB3 ALA A 43 -5.767 10.676 -2.489 1.00 11.54 H new ATOM 658 N LEU A 44 -2.844 9.647 -2.432 1.00 51.12 N ATOM 659 CA LEU A 44 -1.666 9.691 -1.572 1.00 53.44 C ATOM 660 C LEU A 44 -0.412 10.000 -2.383 1.00 64.40 C ATOM 661 O LEU A 44 0.535 10.601 -1.876 1.00 0.34 O ATOM 662 CB LEU A 44 -1.498 8.361 -0.836 1.00 42.12 C ATOM 663 CG LEU A 44 -1.031 8.453 0.617 1.00 64.31 C ATOM 664 CD1 LEU A 44 -1.360 7.170 1.365 1.00 11.53 C ATOM 665 CD2 LEU A 44 0.462 8.741 0.680 1.00 63.40 C ATOM 0 H LEU A 44 -3.416 8.810 -2.321 1.00 51.12 H new ATOM 0 HA LEU A 44 -1.809 10.487 -0.841 1.00 53.44 H new ATOM 0 HB2 LEU A 44 -2.452 7.834 -0.858 1.00 42.12 H new ATOM 0 HB3 LEU A 44 -0.784 7.751 -1.388 1.00 42.12 H new ATOM 0 HG LEU A 44 -1.560 9.276 1.098 1.00 64.31 H new ATOM 0 HD11 LEU A 44 -1.020 7.253 2.397 1.00 11.53 H new ATOM 0 HD12 LEU A 44 -2.437 7.006 1.350 1.00 11.53 H new ATOM 0 HD13 LEU A 44 -0.858 6.330 0.885 1.00 11.53 H new ATOM 0 HD21 LEU A 44 0.777 8.803 1.722 1.00 63.40 H new ATOM 0 HD22 LEU A 44 1.008 7.940 0.183 1.00 63.40 H new ATOM 0 HD23 LEU A 44 0.671 9.687 0.181 1.00 63.40 H new ATOM 677 N ARG A 45 -0.412 9.585 -3.646 1.00 35.03 N ATOM 678 CA ARG A 45 0.725 9.818 -4.527 1.00 63.31 C ATOM 679 C ARG A 45 1.134 11.288 -4.511 1.00 20.33 C ATOM 680 O ARG A 45 2.283 11.620 -4.219 1.00 40.31 O ATOM 681 CB ARG A 45 0.388 9.387 -5.956 1.00 15.14 C ATOM 682 CG ARG A 45 0.798 7.959 -6.275 1.00 24.15 C ATOM 683 CD ARG A 45 1.652 7.892 -7.531 1.00 51.23 C ATOM 684 NE ARG A 45 3.066 8.117 -7.245 1.00 23.41 N ATOM 685 CZ ARG A 45 3.836 7.238 -6.613 1.00 5.23 C ATOM 686 NH1 ARG A 45 3.332 6.083 -6.204 1.00 34.54 N ATOM 687 NH2 ARG A 45 5.115 7.515 -6.389 1.00 72.11 N ATOM 0 H ARG A 45 -1.187 9.086 -4.082 1.00 35.03 H new ATOM 0 HA ARG A 45 1.562 9.222 -4.163 1.00 63.31 H new ATOM 0 HB2 ARG A 45 -0.685 9.492 -6.114 1.00 15.14 H new ATOM 0 HB3 ARG A 45 0.881 10.062 -6.656 1.00 15.14 H new ATOM 0 HG2 ARG A 45 1.352 7.542 -5.434 1.00 24.15 H new ATOM 0 HG3 ARG A 45 -0.093 7.344 -6.406 1.00 24.15 H new ATOM 0 HD2 ARG A 45 1.528 6.917 -8.002 1.00 51.23 H new ATOM 0 HD3 ARG A 45 1.304 8.637 -8.246 1.00 51.23 H new ATOM 0 HE ARG A 45 3.485 8.997 -7.547 1.00 23.41 H new ATOM 0 HH11 ARG A 45 2.350 5.866 -6.374 1.00 34.54 H new ATOM 0 HH12 ARG A 45 3.926 5.410 -5.719 1.00 34.54 H new ATOM 0 HH21 ARG A 45 5.507 8.403 -6.702 1.00 72.11 H new ATOM 0 HH22 ARG A 45 5.706 6.840 -5.904 1.00 72.11 H new ATOM 701 N PHE A 46 0.186 12.164 -4.826 1.00 72.31 N ATOM 702 CA PHE A 46 0.447 13.598 -4.849 1.00 41.12 C ATOM 703 C PHE A 46 0.251 14.209 -3.465 1.00 13.11 C ATOM 704 O PHE A 46 0.923 15.173 -3.099 1.00 72.20 O ATOM 705 CB PHE A 46 -0.471 14.289 -5.859 1.00 54.22 C ATOM 706 CG PHE A 46 0.212 14.638 -7.150 1.00 60.24 C ATOM 707 CD1 PHE A 46 1.347 15.433 -7.156 1.00 71.44 C ATOM 708 CD2 PHE A 46 -0.281 14.171 -8.358 1.00 41.14 C ATOM 709 CE1 PHE A 46 1.978 15.755 -8.343 1.00 5.01 C ATOM 710 CE2 PHE A 46 0.347 14.490 -9.548 1.00 34.22 C ATOM 711 CZ PHE A 46 1.477 15.284 -9.540 1.00 71.32 C ATOM 0 H PHE A 46 -0.770 11.906 -5.069 1.00 72.31 H new ATOM 0 HA PHE A 46 1.484 13.748 -5.149 1.00 41.12 H new ATOM 0 HB2 PHE A 46 -1.320 13.639 -6.071 1.00 54.22 H new ATOM 0 HB3 PHE A 46 -0.871 15.199 -5.411 1.00 54.22 H new ATOM 0 HD1 PHE A 46 1.743 15.805 -6.223 1.00 71.44 H new ATOM 0 HD2 PHE A 46 -1.165 13.551 -8.370 1.00 41.14 H new ATOM 0 HE1 PHE A 46 2.862 16.375 -8.334 1.00 5.01 H new ATOM 0 HE2 PHE A 46 -0.046 14.119 -10.483 1.00 34.22 H new ATOM 0 HZ PHE A 46 1.968 15.536 -10.468 1.00 71.32 H new ATOM 721 N ALA A 47 -0.676 13.641 -2.700 1.00 51.22 N ATOM 722 CA ALA A 47 -0.961 14.128 -1.356 1.00 41.11 C ATOM 723 C ALA A 47 0.272 14.031 -0.464 1.00 62.23 C ATOM 724 O ALA A 47 0.464 14.847 0.437 1.00 60.41 O ATOM 725 CB ALA A 47 -2.118 13.350 -0.747 1.00 41.10 C ATOM 0 H ALA A 47 -1.242 12.843 -2.988 1.00 51.22 H new ATOM 0 HA ALA A 47 -1.243 15.178 -1.429 1.00 41.11 H new ATOM 0 HB1 ALA A 47 -2.320 13.724 0.257 1.00 41.10 H new ATOM 0 HB2 ALA A 47 -3.006 13.475 -1.366 1.00 41.10 H new ATOM 0 HB3 ALA A 47 -1.858 12.293 -0.694 1.00 41.10 H new ATOM 731 N ALA A 48 1.105 13.027 -0.721 1.00 51.32 N ATOM 732 CA ALA A 48 2.320 12.825 0.058 1.00 61.42 C ATOM 733 C ALA A 48 3.220 14.054 0.001 1.00 10.43 C ATOM 734 O ALA A 48 3.998 14.308 0.921 1.00 73.34 O ATOM 735 CB ALA A 48 3.068 11.597 -0.441 1.00 43.34 C ATOM 0 H ALA A 48 0.960 12.342 -1.462 1.00 51.32 H new ATOM 0 HA ALA A 48 2.033 12.666 1.097 1.00 61.42 H new ATOM 0 HB1 ALA A 48 3.974 11.458 0.150 1.00 43.34 H new ATOM 0 HB2 ALA A 48 2.431 10.718 -0.342 1.00 43.34 H new ATOM 0 HB3 ALA A 48 3.336 11.735 -1.489 1.00 43.34 H new ATOM 741 N GLU A 49 3.109 14.814 -1.084 1.00 13.22 N ATOM 742 CA GLU A 49 3.914 16.017 -1.259 1.00 64.24 C ATOM 743 C GLU A 49 3.317 17.190 -0.488 1.00 35.32 C ATOM 744 O GLU A 49 4.042 18.028 0.046 1.00 53.41 O ATOM 745 CB GLU A 49 4.024 16.372 -2.744 1.00 25.43 C ATOM 746 CG GLU A 49 4.332 15.179 -3.633 1.00 62.04 C ATOM 747 CD GLU A 49 5.364 14.248 -3.026 1.00 14.35 C ATOM 748 OE1 GLU A 49 6.517 14.687 -2.833 1.00 62.35 O ATOM 749 OE2 GLU A 49 5.018 13.082 -2.742 1.00 52.52 O ATOM 0 H GLU A 49 2.470 14.618 -1.854 1.00 13.22 H new ATOM 0 HA GLU A 49 4.910 15.816 -0.865 1.00 64.24 H new ATOM 0 HB2 GLU A 49 3.089 16.826 -3.071 1.00 25.43 H new ATOM 0 HB3 GLU A 49 4.805 17.122 -2.873 1.00 25.43 H new ATOM 0 HG2 GLU A 49 3.413 14.624 -3.820 1.00 62.04 H new ATOM 0 HG3 GLU A 49 4.692 15.534 -4.599 1.00 62.04 H new ATOM 756 N GLU A 50 1.989 17.241 -0.435 1.00 22.43 N ATOM 757 CA GLU A 50 1.294 18.311 0.270 1.00 10.21 C ATOM 758 C GLU A 50 1.699 18.347 1.741 1.00 35.41 C ATOM 759 O GLU A 50 1.758 19.412 2.355 1.00 44.45 O ATOM 760 CB GLU A 50 -0.221 18.131 0.151 1.00 42.14 C ATOM 761 CG GLU A 50 -0.779 18.551 -1.199 1.00 31.51 C ATOM 762 CD GLU A 50 -1.917 17.661 -1.662 1.00 4.04 C ATOM 763 OE1 GLU A 50 -1.766 17.005 -2.714 1.00 24.14 O ATOM 764 OE2 GLU A 50 -2.957 17.621 -0.973 1.00 13.12 O ATOM 0 H GLU A 50 1.374 16.554 -0.872 1.00 22.43 H new ATOM 0 HA GLU A 50 1.577 19.258 -0.190 1.00 10.21 H new ATOM 0 HB2 GLU A 50 -0.469 17.084 0.328 1.00 42.14 H new ATOM 0 HB3 GLU A 50 -0.710 18.711 0.933 1.00 42.14 H new ATOM 0 HG2 GLU A 50 -1.130 19.581 -1.138 1.00 31.51 H new ATOM 0 HG3 GLU A 50 0.019 18.529 -1.941 1.00 31.51 H new ATOM 771 N PHE A 51 1.975 17.173 2.301 1.00 53.50 N ATOM 772 CA PHE A 51 2.372 17.069 3.700 1.00 21.22 C ATOM 773 C PHE A 51 3.870 16.805 3.822 1.00 41.21 C ATOM 774 O PHE A 51 4.474 17.061 4.863 1.00 70.23 O ATOM 775 CB PHE A 51 1.588 15.952 4.393 1.00 43.12 C ATOM 776 CG PHE A 51 0.798 16.422 5.580 1.00 13.12 C ATOM 777 CD1 PHE A 51 -0.585 16.487 5.527 1.00 72.40 C ATOM 778 CD2 PHE A 51 1.438 16.800 6.750 1.00 72.04 C ATOM 779 CE1 PHE A 51 -1.316 16.918 6.618 1.00 2.31 C ATOM 780 CE2 PHE A 51 0.713 17.232 7.844 1.00 55.01 C ATOM 781 CZ PHE A 51 -0.666 17.292 7.778 1.00 42.53 C ATOM 0 H PHE A 51 1.931 16.281 1.807 1.00 53.50 H new ATOM 0 HA PHE A 51 2.147 18.018 4.187 1.00 21.22 H new ATOM 0 HB2 PHE A 51 0.909 15.495 3.673 1.00 43.12 H new ATOM 0 HB3 PHE A 51 2.283 15.176 4.713 1.00 43.12 H new ATOM 0 HD1 PHE A 51 -1.098 16.197 4.622 1.00 72.40 H new ATOM 0 HD2 PHE A 51 2.516 16.756 6.807 1.00 72.04 H new ATOM 0 HE1 PHE A 51 -2.394 16.962 6.564 1.00 2.31 H new ATOM 0 HE2 PHE A 51 1.224 17.523 8.750 1.00 55.01 H new ATOM 0 HZ PHE A 51 -1.234 17.631 8.632 1.00 42.53 H new ATOM 791 N GLY A 52 4.464 16.291 2.749 1.00 73.11 N ATOM 792 CA GLY A 52 5.885 16.000 2.756 1.00 44.15 C ATOM 793 C GLY A 52 6.248 14.901 3.734 1.00 33.23 C ATOM 794 O GLY A 52 7.423 14.697 4.041 1.00 34.52 O ATOM 0 H GLY A 52 3.986 16.071 1.875 1.00 73.11 H new ATOM 0 HA2 GLY A 52 6.198 15.708 1.754 1.00 44.15 H new ATOM 0 HA3 GLY A 52 6.437 16.905 3.010 1.00 44.15 H new ATOM 798 N ILE A 53 5.237 14.193 4.227 1.00 61.53 N ATOM 799 CA ILE A 53 5.456 13.109 5.177 1.00 52.01 C ATOM 800 C ILE A 53 4.402 12.018 5.018 1.00 2.05 C ATOM 801 O ILE A 53 3.578 12.065 4.106 1.00 33.01 O ATOM 802 CB ILE A 53 5.434 13.621 6.629 1.00 21.12 C ATOM 803 CG1 ILE A 53 4.043 14.147 6.987 1.00 75.11 C ATOM 804 CG2 ILE A 53 6.483 14.706 6.824 1.00 34.11 C ATOM 805 CD1 ILE A 53 3.912 14.577 8.431 1.00 0.22 C ATOM 0 H ILE A 53 4.259 14.351 3.984 1.00 61.53 H new ATOM 0 HA ILE A 53 6.441 12.694 4.962 1.00 52.01 H new ATOM 0 HB ILE A 53 5.670 12.791 7.295 1.00 21.12 H new ATOM 0 HG12 ILE A 53 3.806 14.993 6.342 1.00 75.11 H new ATOM 0 HG13 ILE A 53 3.306 13.372 6.779 1.00 75.11 H new ATOM 0 HG21 ILE A 53 6.455 15.058 7.855 1.00 34.11 H new ATOM 0 HG22 ILE A 53 7.471 14.300 6.605 1.00 34.11 H new ATOM 0 HG23 ILE A 53 6.275 15.538 6.151 1.00 34.11 H new ATOM 0 HD11 ILE A 53 2.900 14.938 8.613 1.00 0.22 H new ATOM 0 HD12 ILE A 53 4.117 13.728 9.083 1.00 0.22 H new ATOM 0 HD13 ILE A 53 4.625 15.375 8.639 1.00 0.22 H new ATOM 817 N ALA A 54 4.435 11.037 5.914 1.00 12.05 N ATOM 818 CA ALA A 54 3.480 9.936 5.877 1.00 65.12 C ATOM 819 C ALA A 54 3.165 9.435 7.282 1.00 74.10 C ATOM 820 O ALA A 54 3.805 8.509 7.780 1.00 42.22 O ATOM 821 CB ALA A 54 4.018 8.801 5.018 1.00 71.20 C ATOM 0 H ALA A 54 5.113 10.982 6.674 1.00 12.05 H new ATOM 0 HA ALA A 54 2.554 10.305 5.435 1.00 65.12 H new ATOM 0 HB1 ALA A 54 3.295 7.985 4.999 1.00 71.20 H new ATOM 0 HB2 ALA A 54 4.186 9.161 4.003 1.00 71.20 H new ATOM 0 HB3 ALA A 54 4.959 8.443 5.436 1.00 71.20 H new ATOM 827 N SER A 55 2.174 10.053 7.917 1.00 73.12 N ATOM 828 CA SER A 55 1.776 9.672 9.267 1.00 0.21 C ATOM 829 C SER A 55 0.609 10.528 9.751 1.00 22.33 C ATOM 830 O SER A 55 -0.532 10.070 9.802 1.00 34.32 O ATOM 831 CB SER A 55 2.958 9.811 10.228 1.00 4.20 C ATOM 832 OG SER A 55 3.590 8.561 10.444 1.00 13.01 O ATOM 0 H SER A 55 1.632 10.820 7.518 1.00 73.12 H new ATOM 0 HA SER A 55 1.456 8.630 9.245 1.00 0.21 H new ATOM 0 HB2 SER A 55 3.679 10.521 9.822 1.00 4.20 H new ATOM 0 HB3 SER A 55 2.612 10.216 11.179 1.00 4.20 H new ATOM 0 HG SER A 55 3.850 8.173 9.583 1.00 13.01 H new ATOM 838 N VAL A 56 0.905 11.774 10.106 1.00 11.15 N ATOM 839 CA VAL A 56 -0.118 12.695 10.586 1.00 53.51 C ATOM 840 C VAL A 56 -1.065 13.098 9.461 1.00 15.42 C ATOM 841 O VAL A 56 -2.187 13.543 9.709 1.00 25.22 O ATOM 842 CB VAL A 56 0.509 13.964 11.193 1.00 1.32 C ATOM 843 CG1 VAL A 56 1.485 13.600 12.302 1.00 73.33 C ATOM 844 CG2 VAL A 56 1.198 14.786 10.114 1.00 0.33 C ATOM 0 H VAL A 56 1.845 12.169 10.070 1.00 11.15 H new ATOM 0 HA VAL A 56 -0.679 12.170 11.360 1.00 53.51 H new ATOM 0 HB VAL A 56 -0.287 14.570 11.627 1.00 1.32 H new ATOM 0 HG11 VAL A 56 1.918 14.509 12.719 1.00 73.33 H new ATOM 0 HG12 VAL A 56 0.958 13.056 13.086 1.00 73.33 H new ATOM 0 HG13 VAL A 56 2.279 12.973 11.897 1.00 73.33 H new ATOM 0 HG21 VAL A 56 1.635 15.679 10.561 1.00 0.33 H new ATOM 0 HG22 VAL A 56 1.984 14.191 9.649 1.00 0.33 H new ATOM 0 HG23 VAL A 56 0.469 15.078 9.358 1.00 0.33 H new ATOM 854 N ASP A 57 -0.608 12.940 8.224 1.00 25.24 N ATOM 855 CA ASP A 57 -1.415 13.285 7.060 1.00 4.50 C ATOM 856 C ASP A 57 -2.663 12.412 6.985 1.00 23.41 C ATOM 857 O ASP A 57 -3.615 12.732 6.274 1.00 70.11 O ATOM 858 CB ASP A 57 -0.592 13.133 5.779 1.00 34.24 C ATOM 859 CG ASP A 57 -0.478 11.688 5.334 1.00 51.45 C ATOM 860 OD1 ASP A 57 -0.252 10.816 6.199 1.00 40.15 O ATOM 861 OD2 ASP A 57 -0.616 11.430 4.120 1.00 64.13 O ATOM 0 H ASP A 57 0.318 12.575 8.001 1.00 25.24 H new ATOM 0 HA ASP A 57 -1.727 14.324 7.161 1.00 4.50 H new ATOM 0 HB2 ASP A 57 -1.051 13.720 4.984 1.00 34.24 H new ATOM 0 HB3 ASP A 57 0.406 13.540 5.941 1.00 34.24 H new ATOM 866 N SER A 58 -2.650 11.306 7.723 1.00 51.02 N ATOM 867 CA SER A 58 -3.779 10.383 7.736 1.00 1.02 C ATOM 868 C SER A 58 -5.044 11.079 8.231 1.00 65.42 C ATOM 869 O SER A 58 -6.158 10.659 7.920 1.00 23.31 O ATOM 870 CB SER A 58 -3.467 9.176 8.623 1.00 73.21 C ATOM 871 OG SER A 58 -4.111 8.009 8.141 1.00 51.24 O ATOM 0 H SER A 58 -1.871 11.028 8.319 1.00 51.02 H new ATOM 0 HA SER A 58 -3.949 10.041 6.715 1.00 1.02 H new ATOM 0 HB2 SER A 58 -2.390 9.014 8.656 1.00 73.21 H new ATOM 0 HB3 SER A 58 -3.790 9.378 9.644 1.00 73.21 H new ATOM 0 HG SER A 58 -3.895 7.252 8.724 1.00 51.24 H new ATOM 877 N MET A 59 -4.861 12.145 9.003 1.00 73.03 N ATOM 878 CA MET A 59 -5.987 12.900 9.540 1.00 52.41 C ATOM 879 C MET A 59 -5.582 14.340 9.839 1.00 14.34 C ATOM 880 O MET A 59 -5.311 14.693 10.987 1.00 61.42 O ATOM 881 CB MET A 59 -6.517 12.233 10.810 1.00 33.42 C ATOM 882 CG MET A 59 -7.353 10.991 10.541 1.00 4.51 C ATOM 883 SD MET A 59 -8.159 10.362 12.026 1.00 71.34 S ATOM 884 CE MET A 59 -7.134 8.939 12.390 1.00 2.03 C ATOM 0 H MET A 59 -3.945 12.505 9.270 1.00 73.03 H new ATOM 0 HA MET A 59 -6.776 12.911 8.788 1.00 52.41 H new ATOM 0 HB2 MET A 59 -5.675 11.963 11.447 1.00 33.42 H new ATOM 0 HB3 MET A 59 -7.119 12.953 11.365 1.00 33.42 H new ATOM 0 HG2 MET A 59 -8.110 11.222 9.792 1.00 4.51 H new ATOM 0 HG3 MET A 59 -6.716 10.213 10.121 1.00 4.51 H new ATOM 0 HE1 MET A 59 -7.507 8.442 13.286 1.00 2.03 H new ATOM 0 HE2 MET A 59 -7.164 8.245 11.550 1.00 2.03 H new ATOM 0 HE3 MET A 59 -6.107 9.263 12.556 1.00 2.03 H new ATOM 894 N ALA A 60 -5.544 15.168 8.800 1.00 22.22 N ATOM 895 CA ALA A 60 -5.174 16.569 8.953 1.00 41.30 C ATOM 896 C ALA A 60 -5.900 17.443 7.936 1.00 70.13 C ATOM 897 O ALA A 60 -5.293 17.948 6.992 1.00 72.13 O ATOM 898 CB ALA A 60 -3.668 16.736 8.815 1.00 62.32 C ATOM 0 H ALA A 60 -5.765 14.892 7.843 1.00 22.22 H new ATOM 0 HA ALA A 60 -5.474 16.891 9.950 1.00 41.30 H new ATOM 0 HB1 ALA A 60 -3.406 17.788 8.932 1.00 62.32 H new ATOM 0 HB2 ALA A 60 -3.165 16.150 9.584 1.00 62.32 H new ATOM 0 HB3 ALA A 60 -3.352 16.391 7.831 1.00 62.32 H new ATOM 904 N ALA A 61 -7.203 17.616 8.134 1.00 3.12 N ATOM 905 CA ALA A 61 -8.011 18.430 7.235 1.00 61.24 C ATOM 906 C ALA A 61 -9.184 19.064 7.973 1.00 13.44 C ATOM 907 O ALA A 61 -9.650 18.542 8.987 1.00 4.21 O ATOM 908 CB ALA A 61 -8.511 17.590 6.069 1.00 61.42 C ATOM 0 H ALA A 61 -7.721 17.203 8.909 1.00 3.12 H new ATOM 0 HA ALA A 61 -7.383 19.232 6.848 1.00 61.24 H new ATOM 0 HB1 ALA A 61 -9.113 18.211 5.405 1.00 61.42 H new ATOM 0 HB2 ALA A 61 -7.660 17.189 5.518 1.00 61.42 H new ATOM 0 HB3 ALA A 61 -9.118 16.768 6.447 1.00 61.42 H new ATOM 914 N THR A 62 -9.659 20.195 7.460 1.00 13.10 N ATOM 915 CA THR A 62 -10.777 20.902 8.072 1.00 11.11 C ATOM 916 C THR A 62 -11.724 21.454 7.013 1.00 14.51 C ATOM 917 O THR A 62 -11.289 22.017 6.008 1.00 51.50 O ATOM 918 CB THR A 62 -10.289 22.060 8.963 1.00 53.44 C ATOM 919 OG1 THR A 62 -9.136 22.676 8.378 1.00 53.03 O ATOM 920 CG2 THR A 62 -9.951 21.563 10.360 1.00 52.30 C ATOM 0 H THR A 62 -9.286 20.641 6.622 1.00 13.10 H new ATOM 0 HA THR A 62 -11.309 20.178 8.689 1.00 11.11 H new ATOM 0 HB THR A 62 -11.092 22.793 9.040 1.00 53.44 H new ATOM 0 HG1 THR A 62 -8.833 23.412 8.950 1.00 53.03 H new ATOM 0 HG21 THR A 62 -9.609 22.399 10.971 1.00 52.30 H new ATOM 0 HG22 THR A 62 -10.838 21.121 10.814 1.00 52.30 H new ATOM 0 HG23 THR A 62 -9.163 20.812 10.298 1.00 52.30 H new ATOM 928 N THR A 63 -13.023 21.291 7.244 1.00 34.14 N ATOM 929 CA THR A 63 -14.033 21.773 6.310 1.00 64.10 C ATOM 930 C THR A 63 -14.601 23.114 6.758 1.00 12.34 C ATOM 931 O THR A 63 -14.444 23.513 7.913 1.00 62.33 O ATOM 932 CB THR A 63 -15.186 20.764 6.159 1.00 35.45 C ATOM 933 OG1 THR A 63 -16.123 21.232 5.183 1.00 51.31 O ATOM 934 CG2 THR A 63 -15.896 20.550 7.488 1.00 4.33 C ATOM 0 H THR A 63 -13.401 20.828 8.071 1.00 34.14 H new ATOM 0 HA THR A 63 -13.539 21.895 5.346 1.00 64.10 H new ATOM 0 HB THR A 63 -14.766 19.813 5.832 1.00 35.45 H new ATOM 0 HG1 THR A 63 -16.488 20.469 4.687 1.00 51.31 H new ATOM 0 HG21 THR A 63 -16.707 19.833 7.356 1.00 4.33 H new ATOM 0 HG22 THR A 63 -15.187 20.165 8.221 1.00 4.33 H new ATOM 0 HG23 THR A 63 -16.303 21.498 7.840 1.00 4.33 H new ATOM 942 N LYS A 64 -15.264 23.808 5.839 1.00 62.20 N ATOM 943 CA LYS A 64 -15.859 25.105 6.139 1.00 24.35 C ATOM 944 C LYS A 64 -16.951 24.971 7.196 1.00 60.34 C ATOM 945 O LYS A 64 -17.373 25.960 7.795 1.00 63.01 O ATOM 946 CB LYS A 64 -16.437 25.730 4.868 1.00 14.24 C ATOM 947 CG LYS A 64 -17.830 25.231 4.525 1.00 51.05 C ATOM 948 CD LYS A 64 -17.824 23.749 4.188 1.00 41.44 C ATOM 949 CE LYS A 64 -16.958 23.458 2.971 1.00 33.03 C ATOM 950 NZ LYS A 64 -17.728 22.779 1.893 1.00 71.24 N ATOM 0 H LYS A 64 -15.403 23.493 4.879 1.00 62.20 H new ATOM 0 HA LYS A 64 -15.076 25.754 6.531 1.00 24.35 H new ATOM 0 HB2 LYS A 64 -16.467 26.813 4.987 1.00 14.24 H new ATOM 0 HB3 LYS A 64 -15.769 25.519 4.033 1.00 14.24 H new ATOM 0 HG2 LYS A 64 -18.499 25.411 5.366 1.00 51.05 H new ATOM 0 HG3 LYS A 64 -18.222 25.796 3.679 1.00 51.05 H new ATOM 0 HD2 LYS A 64 -17.455 23.182 5.043 1.00 41.44 H new ATOM 0 HD3 LYS A 64 -18.844 23.413 3.999 1.00 41.44 H new ATOM 0 HE2 LYS A 64 -16.543 24.391 2.589 1.00 33.03 H new ATOM 0 HE3 LYS A 64 -16.116 22.832 3.266 1.00 33.03 H new ATOM 0 HZ1 LYS A 64 -17.242 21.902 1.619 1.00 71.24 H new ATOM 0 HZ2 LYS A 64 -18.682 22.552 2.238 1.00 71.24 H new ATOM 0 HZ3 LYS A 64 -17.799 23.408 1.068 1.00 71.24 H new ATOM 964 N ASP A 65 -17.404 23.742 7.419 1.00 5.04 N ATOM 965 CA ASP A 65 -18.445 23.479 8.405 1.00 31.45 C ATOM 966 C ASP A 65 -17.836 23.145 9.764 1.00 62.35 C ATOM 967 O ASP A 65 -18.494 23.263 10.796 1.00 24.34 O ATOM 968 CB ASP A 65 -19.341 22.330 7.938 1.00 2.22 C ATOM 969 CG ASP A 65 -20.801 22.561 8.275 1.00 21.12 C ATOM 970 OD1 ASP A 65 -21.196 22.281 9.427 1.00 43.42 O ATOM 971 OD2 ASP A 65 -21.549 23.022 7.388 1.00 65.33 O ATOM 0 H ASP A 65 -17.067 22.913 6.930 1.00 5.04 H new ATOM 0 HA ASP A 65 -19.048 24.381 8.509 1.00 31.45 H new ATOM 0 HB2 ASP A 65 -19.235 22.205 6.860 1.00 2.22 H new ATOM 0 HB3 ASP A 65 -19.007 21.401 8.401 1.00 2.22 H new ATOM 976 N GLY A 66 -16.574 22.726 9.754 1.00 62.14 N ATOM 977 CA GLY A 66 -15.897 22.380 10.990 1.00 13.01 C ATOM 978 C GLY A 66 -14.840 21.311 10.793 1.00 15.34 C ATOM 979 O GLY A 66 -13.856 21.523 10.085 1.00 43.31 O ATOM 0 H GLY A 66 -16.009 22.620 8.912 1.00 62.14 H new ATOM 0 HA2 GLY A 66 -15.433 23.273 11.408 1.00 13.01 H new ATOM 0 HA3 GLY A 66 -16.630 22.032 11.717 1.00 13.01 H new ATOM 983 N THR A 67 -15.043 20.158 11.423 1.00 4.14 N ATOM 984 CA THR A 67 -14.098 19.053 11.317 1.00 53.23 C ATOM 985 C THR A 67 -13.986 18.563 9.878 1.00 73.42 C ATOM 986 O THR A 67 -14.993 18.367 9.198 1.00 21.23 O ATOM 987 CB THR A 67 -14.509 17.874 12.219 1.00 51.13 C ATOM 988 OG1 THR A 67 -15.846 18.065 12.696 1.00 62.44 O ATOM 989 CG2 THR A 67 -13.559 17.739 13.399 1.00 63.43 C ATOM 0 H THR A 67 -15.853 19.965 12.012 1.00 4.14 H new ATOM 0 HA THR A 67 -13.130 19.431 11.646 1.00 53.23 H new ATOM 0 HB THR A 67 -14.462 16.959 11.628 1.00 51.13 H new ATOM 0 HG1 THR A 67 -16.100 17.310 13.267 1.00 62.44 H new ATOM 0 HG21 THR A 67 -13.869 16.900 14.022 1.00 63.43 H new ATOM 0 HG22 THR A 67 -12.547 17.565 13.033 1.00 63.43 H new ATOM 0 HG23 THR A 67 -13.579 18.655 13.989 1.00 63.43 H new ATOM 997 N GLY A 68 -12.754 18.365 9.419 1.00 71.21 N ATOM 998 CA GLY A 68 -12.534 17.898 8.063 1.00 63.23 C ATOM 999 C GLY A 68 -11.927 16.509 8.019 1.00 51.30 C ATOM 1000 O GLY A 68 -11.460 16.062 6.971 1.00 24.24 O ATOM 0 H GLY A 68 -11.905 18.520 9.962 1.00 71.21 H new ATOM 0 HA2 GLY A 68 -13.482 17.894 7.525 1.00 63.23 H new ATOM 0 HA3 GLY A 68 -11.876 18.595 7.544 1.00 63.23 H new ATOM 1004 N ILE A 69 -11.933 15.827 9.159 1.00 62.20 N ATOM 1005 CA ILE A 69 -11.378 14.482 9.246 1.00 33.42 C ATOM 1006 C ILE A 69 -12.412 13.434 8.846 1.00 43.11 C ATOM 1007 O ILE A 69 -13.514 13.395 9.391 1.00 24.43 O ATOM 1008 CB ILE A 69 -10.874 14.172 10.668 1.00 61.31 C ATOM 1009 CG1 ILE A 69 -9.779 15.162 11.071 1.00 32.33 C ATOM 1010 CG2 ILE A 69 -10.358 12.742 10.747 1.00 14.52 C ATOM 1011 CD1 ILE A 69 -9.444 15.124 12.546 1.00 65.42 C ATOM 0 H ILE A 69 -12.316 16.183 10.035 1.00 62.20 H new ATOM 0 HA ILE A 69 -10.537 14.442 8.554 1.00 33.42 H new ATOM 0 HB ILE A 69 -11.706 14.276 11.364 1.00 61.31 H new ATOM 0 HG12 ILE A 69 -8.878 14.949 10.496 1.00 32.33 H new ATOM 0 HG13 ILE A 69 -10.096 16.170 10.804 1.00 32.33 H new ATOM 0 HG21 ILE A 69 -10.005 12.538 11.758 1.00 14.52 H new ATOM 0 HG22 ILE A 69 -11.163 12.051 10.497 1.00 14.52 H new ATOM 0 HG23 ILE A 69 -9.536 12.612 10.043 1.00 14.52 H new ATOM 0 HD11 ILE A 69 -8.661 15.851 12.760 1.00 65.42 H new ATOM 0 HD12 ILE A 69 -10.333 15.367 13.127 1.00 65.42 H new ATOM 0 HD13 ILE A 69 -9.096 14.126 12.815 1.00 65.42 H new ATOM 1023 N ASN A 70 -12.046 12.586 7.890 1.00 35.53 N ATOM 1024 CA ASN A 70 -12.942 11.536 7.417 1.00 24.24 C ATOM 1025 C ASN A 70 -12.489 10.168 7.919 1.00 63.13 C ATOM 1026 O ASN A 70 -11.318 9.951 8.233 1.00 72.42 O ATOM 1027 CB ASN A 70 -13.000 11.537 5.888 1.00 13.25 C ATOM 1028 CG ASN A 70 -12.793 12.921 5.303 1.00 24.23 C ATOM 1029 OD1 ASN A 70 -11.681 13.449 5.310 1.00 2.42 O ATOM 1030 ND2 ASN A 70 -13.865 13.514 4.793 1.00 15.31 N ATOM 0 H ASN A 70 -11.137 12.605 7.428 1.00 35.53 H new ATOM 0 HA ASN A 70 -13.938 11.737 7.812 1.00 24.24 H new ATOM 0 HB2 ASN A 70 -12.238 10.863 5.498 1.00 13.25 H new ATOM 0 HB3 ASN A 70 -13.965 11.149 5.563 1.00 13.25 H new ATOM 0 HD21 ASN A 70 -13.787 14.446 4.385 1.00 15.31 H new ATOM 0 HD22 ASN A 70 -14.767 13.038 4.809 1.00 15.31 H new ATOM 1037 N PRO A 71 -13.437 9.222 7.996 1.00 43.25 N ATOM 1038 CA PRO A 71 -13.159 7.859 8.457 1.00 71.32 C ATOM 1039 C PRO A 71 -12.315 7.070 7.461 1.00 53.30 C ATOM 1040 O PRO A 71 -11.321 6.448 7.832 1.00 62.31 O ATOM 1041 CB PRO A 71 -14.552 7.238 8.587 1.00 72.32 C ATOM 1042 CG PRO A 71 -15.402 8.011 7.638 1.00 3.13 C ATOM 1043 CD PRO A 71 -14.853 9.411 7.637 1.00 25.05 C ATOM 0 HA PRO A 71 -12.585 7.851 9.384 1.00 71.32 H new ATOM 0 HB2 PRO A 71 -14.538 6.178 8.333 1.00 72.32 H new ATOM 0 HB3 PRO A 71 -14.927 7.316 9.608 1.00 72.32 H new ATOM 0 HG2 PRO A 71 -15.366 7.577 6.639 1.00 3.13 H new ATOM 0 HG3 PRO A 71 -16.446 8.001 7.952 1.00 3.13 H new ATOM 0 HD2 PRO A 71 -14.960 9.884 6.661 1.00 25.05 H new ATOM 0 HD3 PRO A 71 -15.369 10.046 8.357 1.00 25.05 H new ATOM 1051 N ALA A 72 -12.719 7.102 6.195 1.00 23.01 N ATOM 1052 CA ALA A 72 -11.998 6.392 5.146 1.00 42.34 C ATOM 1053 C ALA A 72 -11.230 7.363 4.254 1.00 22.45 C ATOM 1054 O ALA A 72 -10.212 7.003 3.664 1.00 71.05 O ATOM 1055 CB ALA A 72 -12.962 5.559 4.314 1.00 24.11 C ATOM 0 H ALA A 72 -13.541 7.612 5.871 1.00 23.01 H new ATOM 0 HA ALA A 72 -11.277 5.727 5.621 1.00 42.34 H new ATOM 0 HB1 ALA A 72 -12.410 5.034 3.534 1.00 24.11 H new ATOM 0 HB2 ALA A 72 -13.463 4.834 4.955 1.00 24.11 H new ATOM 0 HB3 ALA A 72 -13.705 6.212 3.856 1.00 24.11 H new ATOM 1061 N GLN A 73 -11.725 8.593 4.163 1.00 62.34 N ATOM 1062 CA GLN A 73 -11.085 9.614 3.342 1.00 63.23 C ATOM 1063 C GLN A 73 -10.992 9.164 1.887 1.00 22.35 C ATOM 1064 O GLN A 73 -10.100 9.586 1.151 1.00 41.42 O ATOM 1065 CB GLN A 73 -9.688 9.930 3.880 1.00 34.24 C ATOM 1066 CG GLN A 73 -9.686 10.404 5.325 1.00 55.34 C ATOM 1067 CD GLN A 73 -8.288 10.648 5.857 1.00 51.21 C ATOM 1068 OE1 GLN A 73 -8.033 11.868 6.314 1.00 20.10 O flip ATOM 1069 NE2 GLN A 73 -7.446 9.750 5.857 1.00 0.44 N flip ATOM 0 H GLN A 73 -12.566 8.907 4.647 1.00 62.34 H new ATOM 0 HA GLN A 73 -11.697 10.515 3.386 1.00 63.23 H new ATOM 0 HB2 GLN A 73 -9.066 9.039 3.798 1.00 34.24 H new ATOM 0 HB3 GLN A 73 -9.231 10.697 3.254 1.00 34.24 H new ATOM 0 HG2 GLN A 73 -10.266 11.324 5.402 1.00 55.34 H new ATOM 0 HG3 GLN A 73 -10.183 9.660 5.948 1.00 55.34 H new ATOM 0 HE21 GLN A 73 -7.685 8.827 5.496 1.00 0.44 H new ATOM 0 HE22 GLN A 73 -6.509 9.929 6.218 1.00 0.44 H new ATOM 1078 N THR A 74 -11.919 8.303 1.479 1.00 22.31 N ATOM 1079 CA THR A 74 -11.941 7.794 0.114 1.00 63.14 C ATOM 1080 C THR A 74 -12.474 8.843 -0.856 1.00 22.24 C ATOM 1081 O THR A 74 -13.120 9.807 -0.447 1.00 52.13 O ATOM 1082 CB THR A 74 -12.803 6.523 0.002 1.00 71.54 C ATOM 1083 OG1 THR A 74 -12.664 5.730 1.186 1.00 64.10 O ATOM 1084 CG2 THR A 74 -12.401 5.701 -1.214 1.00 54.54 C ATOM 0 H THR A 74 -12.665 7.944 2.075 1.00 22.31 H new ATOM 0 HA THR A 74 -10.912 7.550 -0.149 1.00 63.14 H new ATOM 0 HB THR A 74 -13.844 6.826 -0.112 1.00 71.54 H new ATOM 0 HG1 THR A 74 -13.217 4.925 1.107 1.00 64.10 H new ATOM 0 HG21 THR A 74 -13.024 4.808 -1.272 1.00 54.54 H new ATOM 0 HG22 THR A 74 -12.536 6.297 -2.117 1.00 54.54 H new ATOM 0 HG23 THR A 74 -11.355 5.408 -1.126 1.00 54.54 H new ATOM 1092 N ALA A 75 -12.199 8.648 -2.141 1.00 71.22 N ATOM 1093 CA ALA A 75 -12.654 9.576 -3.169 1.00 1.12 C ATOM 1094 C ALA A 75 -14.177 9.651 -3.206 1.00 5.32 C ATOM 1095 O ALA A 75 -14.753 10.737 -3.257 1.00 31.20 O ATOM 1096 CB ALA A 75 -12.111 9.165 -4.529 1.00 64.13 C ATOM 0 H ALA A 75 -11.663 7.856 -2.495 1.00 71.22 H new ATOM 0 HA ALA A 75 -12.273 10.567 -2.923 1.00 1.12 H new ATOM 0 HB1 ALA A 75 -12.459 9.867 -5.287 1.00 64.13 H new ATOM 0 HB2 ALA A 75 -11.021 9.170 -4.502 1.00 64.13 H new ATOM 0 HB3 ALA A 75 -12.463 8.163 -4.774 1.00 64.13 H new ATOM 1102 N GLY A 76 -14.823 8.489 -3.180 1.00 42.43 N ATOM 1103 CA GLY A 76 -16.273 8.446 -3.212 1.00 40.45 C ATOM 1104 C GLY A 76 -16.898 9.018 -1.955 1.00 50.25 C ATOM 1105 O GLY A 76 -17.933 9.681 -2.015 1.00 63.11 O ATOM 0 H GLY A 76 -14.368 7.577 -3.137 1.00 42.43 H new ATOM 0 HA2 GLY A 76 -16.631 9.003 -4.078 1.00 40.45 H new ATOM 0 HA3 GLY A 76 -16.600 7.414 -3.339 1.00 40.45 H new ATOM 1109 N ASN A 77 -16.269 8.760 -0.813 1.00 70.05 N ATOM 1110 CA ASN A 77 -16.772 9.252 0.464 1.00 5.11 C ATOM 1111 C ASN A 77 -16.569 10.759 0.584 1.00 1.51 C ATOM 1112 O ASN A 77 -17.466 11.485 1.014 1.00 5.14 O ATOM 1113 CB ASN A 77 -16.070 8.538 1.621 1.00 4.10 C ATOM 1114 CG ASN A 77 -16.943 8.443 2.857 1.00 12.10 C ATOM 1115 OD1 ASN A 77 -17.540 9.431 3.286 1.00 32.52 O ATOM 1116 ND2 ASN A 77 -17.021 7.250 3.436 1.00 55.53 N ATOM 0 H ASN A 77 -15.410 8.213 -0.746 1.00 70.05 H new ATOM 0 HA ASN A 77 -17.841 9.042 0.511 1.00 5.11 H new ATOM 0 HB2 ASN A 77 -15.783 7.535 1.305 1.00 4.10 H new ATOM 0 HB3 ASN A 77 -15.151 9.070 1.869 1.00 4.10 H new ATOM 0 HD21 ASN A 77 -17.593 7.125 4.271 1.00 55.53 H new ATOM 0 HD22 ASN A 77 -16.509 6.459 3.045 1.00 55.53 H new ATOM 1123 N VAL A 78 -15.384 11.224 0.200 1.00 12.30 N ATOM 1124 CA VAL A 78 -15.064 12.645 0.263 1.00 44.34 C ATOM 1125 C VAL A 78 -15.835 13.430 -0.792 1.00 74.35 C ATOM 1126 O VAL A 78 -16.321 14.531 -0.531 1.00 70.43 O ATOM 1127 CB VAL A 78 -13.556 12.890 0.067 1.00 25.51 C ATOM 1128 CG1 VAL A 78 -13.253 14.380 0.058 1.00 44.11 C ATOM 1129 CG2 VAL A 78 -12.757 12.181 1.151 1.00 44.41 C ATOM 0 H VAL A 78 -14.630 10.637 -0.158 1.00 12.30 H new ATOM 0 HA VAL A 78 -15.356 12.991 1.255 1.00 44.34 H new ATOM 0 HB VAL A 78 -13.261 12.479 -0.898 1.00 25.51 H new ATOM 0 HG11 VAL A 78 -12.183 14.533 -0.082 1.00 44.11 H new ATOM 0 HG12 VAL A 78 -13.797 14.857 -0.757 1.00 44.11 H new ATOM 0 HG13 VAL A 78 -13.562 14.820 1.006 1.00 44.11 H new ATOM 0 HG21 VAL A 78 -11.693 12.364 0.998 1.00 44.41 H new ATOM 0 HG22 VAL A 78 -13.054 12.561 2.129 1.00 44.41 H new ATOM 0 HG23 VAL A 78 -12.951 11.109 1.104 1.00 44.41 H new ATOM 1139 N PHE A 79 -15.945 12.856 -1.986 1.00 33.31 N ATOM 1140 CA PHE A 79 -16.658 13.501 -3.082 1.00 51.31 C ATOM 1141 C PHE A 79 -18.077 13.874 -2.663 1.00 51.32 C ATOM 1142 O PHE A 79 -18.618 14.889 -3.101 1.00 53.11 O ATOM 1143 CB PHE A 79 -16.700 12.581 -4.303 1.00 72.45 C ATOM 1144 CG PHE A 79 -17.405 13.184 -5.485 1.00 32.33 C ATOM 1145 CD1 PHE A 79 -16.795 14.170 -6.243 1.00 71.31 C ATOM 1146 CD2 PHE A 79 -18.678 12.765 -5.836 1.00 73.23 C ATOM 1147 CE1 PHE A 79 -17.441 14.727 -7.331 1.00 21.40 C ATOM 1148 CE2 PHE A 79 -19.329 13.318 -6.923 1.00 62.42 C ATOM 1149 CZ PHE A 79 -18.710 14.300 -7.671 1.00 1.53 C ATOM 0 H PHE A 79 -15.549 11.945 -2.219 1.00 33.31 H new ATOM 0 HA PHE A 79 -16.123 14.414 -3.342 1.00 51.31 H new ATOM 0 HB2 PHE A 79 -15.680 12.325 -4.590 1.00 72.45 H new ATOM 0 HB3 PHE A 79 -17.197 11.650 -4.030 1.00 72.45 H new ATOM 0 HD1 PHE A 79 -15.803 14.508 -5.981 1.00 71.31 H new ATOM 0 HD2 PHE A 79 -19.167 11.998 -5.254 1.00 73.23 H new ATOM 0 HE1 PHE A 79 -16.954 15.495 -7.914 1.00 21.40 H new ATOM 0 HE2 PHE A 79 -20.321 12.982 -7.187 1.00 62.42 H new ATOM 0 HZ PHE A 79 -19.217 14.733 -8.520 1.00 1.53 H new ATOM 1159 N MET A 80 -18.674 13.045 -1.813 1.00 3.54 N ATOM 1160 CA MET A 80 -20.030 13.288 -1.334 1.00 4.23 C ATOM 1161 C MET A 80 -20.011 14.008 0.011 1.00 45.21 C ATOM 1162 O MET A 80 -21.012 14.588 0.431 1.00 74.50 O ATOM 1163 CB MET A 80 -20.793 11.968 -1.208 1.00 2.32 C ATOM 1164 CG MET A 80 -22.260 12.076 -1.592 1.00 22.55 C ATOM 1165 SD MET A 80 -23.213 10.625 -1.103 1.00 52.05 S ATOM 1166 CE MET A 80 -23.546 11.001 0.616 1.00 51.43 C ATOM 0 H MET A 80 -18.241 12.200 -1.442 1.00 3.54 H new ATOM 0 HA MET A 80 -20.536 13.925 -2.060 1.00 4.23 H new ATOM 0 HB2 MET A 80 -20.315 11.219 -1.839 1.00 2.32 H new ATOM 0 HB3 MET A 80 -20.720 11.612 -0.180 1.00 2.32 H new ATOM 0 HG2 MET A 80 -22.690 12.963 -1.125 1.00 22.55 H new ATOM 0 HG3 MET A 80 -22.340 12.213 -2.670 1.00 22.55 H new ATOM 0 HE1 MET A 80 -24.130 10.194 1.059 1.00 51.43 H new ATOM 0 HE2 MET A 80 -22.604 11.105 1.155 1.00 51.43 H new ATOM 0 HE3 MET A 80 -24.107 11.933 0.682 1.00 51.43 H new ATOM 1176 N LYS A 81 -18.865 13.968 0.682 1.00 23.13 N ATOM 1177 CA LYS A 81 -18.714 14.617 1.979 1.00 10.02 C ATOM 1178 C LYS A 81 -18.459 16.112 1.813 1.00 33.32 C ATOM 1179 O LYS A 81 -19.217 16.940 2.319 1.00 43.31 O ATOM 1180 CB LYS A 81 -17.566 13.977 2.763 1.00 44.14 C ATOM 1181 CG LYS A 81 -17.438 14.493 4.185 1.00 31.14 C ATOM 1182 CD LYS A 81 -18.373 13.758 5.131 1.00 72.20 C ATOM 1183 CE LYS A 81 -17.902 12.334 5.386 1.00 3.54 C ATOM 1184 NZ LYS A 81 -18.525 11.755 6.608 1.00 24.35 N ATOM 0 H LYS A 81 -18.026 13.493 0.349 1.00 23.13 H new ATOM 0 HA LYS A 81 -19.643 14.484 2.534 1.00 10.02 H new ATOM 0 HB2 LYS A 81 -17.713 12.897 2.789 1.00 44.14 H new ATOM 0 HB3 LYS A 81 -16.630 14.159 2.234 1.00 44.14 H new ATOM 0 HG2 LYS A 81 -16.409 14.375 4.525 1.00 31.14 H new ATOM 0 HG3 LYS A 81 -17.661 15.560 4.207 1.00 31.14 H new ATOM 0 HD2 LYS A 81 -18.433 14.297 6.076 1.00 72.20 H new ATOM 0 HD3 LYS A 81 -19.378 13.740 4.710 1.00 72.20 H new ATOM 0 HE2 LYS A 81 -18.145 11.711 4.525 1.00 3.54 H new ATOM 0 HE3 LYS A 81 -16.817 12.324 5.491 1.00 3.54 H new ATOM 0 HZ1 LYS A 81 -18.179 10.784 6.747 1.00 24.35 H new ATOM 0 HZ2 LYS A 81 -18.273 12.334 7.434 1.00 24.35 H new ATOM 0 HZ3 LYS A 81 -19.559 11.741 6.497 1.00 24.35 H new ATOM 1198 N TYR A 82 -17.390 16.449 1.101 1.00 0.31 N ATOM 1199 CA TYR A 82 -17.035 17.844 0.869 1.00 14.53 C ATOM 1200 C TYR A 82 -16.969 18.149 -0.624 1.00 64.22 C ATOM 1201 O TYR A 82 -17.194 19.281 -1.049 1.00 60.04 O ATOM 1202 CB TYR A 82 -15.693 18.167 1.527 1.00 1.45 C ATOM 1203 CG TYR A 82 -15.651 17.849 3.005 1.00 42.10 C ATOM 1204 CD1 TYR A 82 -14.639 17.059 3.537 1.00 61.03 C ATOM 1205 CD2 TYR A 82 -16.623 18.337 3.869 1.00 1.41 C ATOM 1206 CE1 TYR A 82 -14.597 16.765 4.886 1.00 64.22 C ATOM 1207 CE2 TYR A 82 -16.588 18.050 5.220 1.00 63.33 C ATOM 1208 CZ TYR A 82 -15.573 17.263 5.723 1.00 22.13 C ATOM 1209 OH TYR A 82 -15.535 16.973 7.068 1.00 71.21 O ATOM 0 H TYR A 82 -16.754 15.775 0.674 1.00 0.31 H new ATOM 0 HA TYR A 82 -17.810 18.468 1.314 1.00 14.53 H new ATOM 0 HB2 TYR A 82 -14.906 17.608 1.021 1.00 1.45 H new ATOM 0 HB3 TYR A 82 -15.474 19.225 1.385 1.00 1.45 H new ATOM 0 HD1 TYR A 82 -13.872 16.668 2.885 1.00 61.03 H new ATOM 0 HD2 TYR A 82 -17.420 18.952 3.478 1.00 1.41 H new ATOM 0 HE1 TYR A 82 -13.804 16.148 5.283 1.00 64.22 H new ATOM 0 HE2 TYR A 82 -17.351 18.439 5.878 1.00 63.33 H new ATOM 0 HH TYR A 82 -15.554 17.807 7.583 1.00 71.21 H new ATOM 1219 N GLY A 83 -16.657 17.127 -1.416 1.00 53.24 N ATOM 1220 CA GLY A 83 -16.566 17.304 -2.854 1.00 15.21 C ATOM 1221 C GLY A 83 -15.678 18.470 -3.240 1.00 24.24 C ATOM 1222 O GLY A 83 -16.168 19.527 -3.636 1.00 64.32 O ATOM 0 H GLY A 83 -16.466 16.180 -1.088 1.00 53.24 H new ATOM 0 HA2 GLY A 83 -16.178 16.391 -3.305 1.00 15.21 H new ATOM 0 HA3 GLY A 83 -17.565 17.462 -3.261 1.00 15.21 H new ATOM 1226 N GLN A 84 -14.368 18.278 -3.122 1.00 22.45 N ATOM 1227 CA GLN A 84 -13.409 19.323 -3.459 1.00 12.21 C ATOM 1228 C GLN A 84 -13.762 20.631 -2.758 1.00 43.45 C ATOM 1229 O GLN A 84 -14.098 21.622 -3.407 1.00 34.43 O ATOM 1230 CB GLN A 84 -13.367 19.537 -4.973 1.00 33.20 C ATOM 1231 CG GLN A 84 -13.258 18.245 -5.767 1.00 1.12 C ATOM 1232 CD GLN A 84 -13.070 18.487 -7.252 1.00 23.45 C ATOM 1233 OE1 GLN A 84 -12.422 19.452 -7.658 1.00 22.30 O ATOM 1234 NE2 GLN A 84 -13.636 17.609 -8.071 1.00 34.31 N ATOM 0 H GLN A 84 -13.947 17.408 -2.796 1.00 22.45 H new ATOM 0 HA GLN A 84 -12.425 19.003 -3.117 1.00 12.21 H new ATOM 0 HB2 GLN A 84 -14.267 20.069 -5.282 1.00 33.20 H new ATOM 0 HB3 GLN A 84 -12.519 20.177 -5.218 1.00 33.20 H new ATOM 0 HG2 GLN A 84 -12.419 17.660 -5.389 1.00 1.12 H new ATOM 0 HG3 GLN A 84 -14.158 17.650 -5.611 1.00 1.12 H new ATOM 0 HE21 GLN A 84 -14.164 16.824 -7.691 1.00 34.31 H new ATOM 0 HE22 GLN A 84 -13.543 17.720 -9.081 1.00 34.31 H new ATOM 1243 N GLU A 85 -13.682 20.627 -1.431 1.00 71.45 N ATOM 1244 CA GLU A 85 -13.994 21.814 -0.644 1.00 33.51 C ATOM 1245 C GLU A 85 -13.454 21.681 0.777 1.00 35.12 C ATOM 1246 O GLU A 85 -14.119 22.059 1.742 1.00 31.25 O ATOM 1247 CB GLU A 85 -15.506 22.045 -0.607 1.00 53.34 C ATOM 1248 CG GLU A 85 -15.901 23.508 -0.725 1.00 62.11 C ATOM 1249 CD GLU A 85 -17.224 23.699 -1.440 1.00 52.43 C ATOM 1250 OE1 GLU A 85 -17.567 24.859 -1.751 1.00 15.41 O ATOM 1251 OE2 GLU A 85 -17.916 22.690 -1.689 1.00 53.40 O ATOM 0 H GLU A 85 -13.404 19.816 -0.879 1.00 71.45 H new ATOM 0 HA GLU A 85 -13.514 22.670 -1.118 1.00 33.51 H new ATOM 0 HB2 GLU A 85 -15.971 21.485 -1.419 1.00 53.34 H new ATOM 0 HB3 GLU A 85 -15.904 21.644 0.325 1.00 53.34 H new ATOM 0 HG2 GLU A 85 -15.965 23.945 0.272 1.00 62.11 H new ATOM 0 HG3 GLU A 85 -15.121 24.049 -1.261 1.00 62.11 H new ATOM 1258 N ILE A 86 -12.246 21.141 0.897 1.00 52.41 N ATOM 1259 CA ILE A 86 -11.617 20.959 2.199 1.00 41.30 C ATOM 1260 C ILE A 86 -10.215 21.559 2.221 1.00 61.54 C ATOM 1261 O ILE A 86 -9.533 21.604 1.197 1.00 44.41 O ATOM 1262 CB ILE A 86 -11.532 19.469 2.580 1.00 52.42 C ATOM 1263 CG1 ILE A 86 -11.049 19.316 4.024 1.00 55.33 C ATOM 1264 CG2 ILE A 86 -10.607 18.730 1.625 1.00 44.50 C ATOM 1265 CD1 ILE A 86 -11.743 18.204 4.778 1.00 33.20 C ATOM 0 H ILE A 86 -11.683 20.822 0.108 1.00 52.41 H new ATOM 0 HA ILE A 86 -12.242 21.476 2.927 1.00 41.30 H new ATOM 0 HB ILE A 86 -12.527 19.032 2.502 1.00 52.42 H new ATOM 0 HG12 ILE A 86 -9.975 19.128 4.022 1.00 55.33 H new ATOM 0 HG13 ILE A 86 -11.206 20.256 4.553 1.00 55.33 H new ATOM 0 HG21 ILE A 86 -10.557 17.678 1.907 1.00 44.50 H new ATOM 0 HG22 ILE A 86 -10.990 18.815 0.608 1.00 44.50 H new ATOM 0 HG23 ILE A 86 -9.609 19.166 1.674 1.00 44.50 H new ATOM 0 HD11 ILE A 86 -11.351 18.153 5.794 1.00 33.20 H new ATOM 0 HD12 ILE A 86 -12.815 18.401 4.812 1.00 33.20 H new ATOM 0 HD13 ILE A 86 -11.564 17.255 4.272 1.00 33.20 H new ATOM 1277 N ARG A 87 -9.791 22.015 3.394 1.00 4.33 N ATOM 1278 CA ARG A 87 -8.469 22.611 3.550 1.00 52.21 C ATOM 1279 C ARG A 87 -7.531 21.667 4.295 1.00 30.54 C ATOM 1280 O ARG A 87 -7.959 20.913 5.171 1.00 65.21 O ATOM 1281 CB ARG A 87 -8.571 23.942 4.298 1.00 31.52 C ATOM 1282 CG ARG A 87 -7.977 25.115 3.537 1.00 2.53 C ATOM 1283 CD ARG A 87 -8.626 25.281 2.172 1.00 34.23 C ATOM 1284 NE ARG A 87 -8.471 26.637 1.653 1.00 14.01 N ATOM 1285 CZ ARG A 87 -9.193 27.671 2.071 1.00 21.03 C ATOM 1286 NH1 ARG A 87 -10.114 27.504 3.010 1.00 0.43 N ATOM 1287 NH2 ARG A 87 -8.993 28.875 1.550 1.00 32.14 N ATOM 0 H ARG A 87 -10.343 21.984 4.251 1.00 4.33 H new ATOM 0 HA ARG A 87 -8.060 22.791 2.556 1.00 52.21 H new ATOM 0 HB2 ARG A 87 -9.620 24.151 4.510 1.00 31.52 H new ATOM 0 HB3 ARG A 87 -8.064 23.849 5.259 1.00 31.52 H new ATOM 0 HG2 ARG A 87 -8.107 26.029 4.116 1.00 2.53 H new ATOM 0 HG3 ARG A 87 -6.904 24.965 3.415 1.00 2.53 H new ATOM 0 HD2 ARG A 87 -8.184 24.572 1.472 1.00 34.23 H new ATOM 0 HD3 ARG A 87 -9.686 25.039 2.243 1.00 34.23 H new ATOM 0 HE ARG A 87 -7.770 26.799 0.930 1.00 14.01 H new ATOM 0 HH11 ARG A 87 -10.270 26.580 3.413 1.00 0.43 H new ATOM 0 HH12 ARG A 87 -10.667 28.299 3.329 1.00 0.43 H new ATOM 0 HH21 ARG A 87 -8.285 29.007 0.828 1.00 32.14 H new ATOM 0 HH22 ARG A 87 -9.548 29.668 1.871 1.00 32.14 H new ATOM 1301 N LEU A 88 -6.251 21.712 3.943 1.00 72.14 N ATOM 1302 CA LEU A 88 -5.252 20.860 4.578 1.00 63.13 C ATOM 1303 C LEU A 88 -4.655 21.542 5.804 1.00 3.23 C ATOM 1304 O LEU A 88 -3.954 22.548 5.688 1.00 63.14 O ATOM 1305 CB LEU A 88 -4.143 20.512 3.583 1.00 42.41 C ATOM 1306 CG LEU A 88 -4.309 19.194 2.826 1.00 50.30 C ATOM 1307 CD1 LEU A 88 -3.661 19.282 1.453 1.00 22.20 C ATOM 1308 CD2 LEU A 88 -3.717 18.042 3.625 1.00 51.22 C ATOM 0 H LEU A 88 -5.880 22.330 3.221 1.00 72.14 H new ATOM 0 HA LEU A 88 -5.744 19.942 4.899 1.00 63.13 H new ATOM 0 HB2 LEU A 88 -4.070 21.319 2.854 1.00 42.41 H new ATOM 0 HB3 LEU A 88 -3.196 20.482 4.121 1.00 42.41 H new ATOM 0 HG LEU A 88 -5.374 19.006 2.691 1.00 50.30 H new ATOM 0 HD11 LEU A 88 -3.789 18.335 0.929 1.00 22.20 H new ATOM 0 HD12 LEU A 88 -4.131 20.081 0.879 1.00 22.20 H new ATOM 0 HD13 LEU A 88 -2.598 19.493 1.565 1.00 22.20 H new ATOM 0 HD21 LEU A 88 -3.844 17.112 3.071 1.00 51.22 H new ATOM 0 HD22 LEU A 88 -2.655 18.223 3.792 1.00 51.22 H new ATOM 0 HD23 LEU A 88 -4.227 17.965 4.585 1.00 51.22 H new ATOM 1320 N ILE A 89 -4.936 20.988 6.979 1.00 65.33 N ATOM 1321 CA ILE A 89 -4.423 21.541 8.226 1.00 14.01 C ATOM 1322 C ILE A 89 -3.895 20.440 9.140 1.00 50.42 C ATOM 1323 O ILE A 89 -4.549 19.423 9.369 1.00 21.25 O ATOM 1324 CB ILE A 89 -5.507 22.338 8.975 1.00 14.33 C ATOM 1325 CG1 ILE A 89 -4.907 23.028 10.202 1.00 15.22 C ATOM 1326 CG2 ILE A 89 -6.652 21.422 9.383 1.00 41.54 C ATOM 1327 CD1 ILE A 89 -5.916 23.822 11.003 1.00 72.32 C ATOM 0 H ILE A 89 -5.516 20.157 7.093 1.00 65.33 H new ATOM 0 HA ILE A 89 -3.606 22.213 7.961 1.00 14.01 H new ATOM 0 HB ILE A 89 -5.901 23.104 8.307 1.00 14.33 H new ATOM 0 HG12 ILE A 89 -4.455 22.275 10.847 1.00 15.22 H new ATOM 0 HG13 ILE A 89 -4.107 23.694 9.879 1.00 15.22 H new ATOM 0 HG21 ILE A 89 -7.410 22.000 9.911 1.00 41.54 H new ATOM 0 HG22 ILE A 89 -7.093 20.973 8.493 1.00 41.54 H new ATOM 0 HG23 ILE A 89 -6.274 20.636 10.037 1.00 41.54 H new ATOM 0 HD11 ILE A 89 -5.421 24.283 11.857 1.00 72.32 H new ATOM 0 HD12 ILE A 89 -6.351 24.598 10.373 1.00 72.32 H new ATOM 0 HD13 ILE A 89 -6.704 23.157 11.356 1.00 72.32 H new ATOM 1339 N PRO A 90 -2.683 20.648 9.676 1.00 32.50 N ATOM 1340 CA PRO A 90 -2.041 19.685 10.576 1.00 64.13 C ATOM 1341 C PRO A 90 -2.735 19.605 11.931 1.00 2.40 C ATOM 1342 O PRO A 90 -2.582 20.493 12.770 1.00 24.14 O ATOM 1343 CB PRO A 90 -0.622 20.239 10.733 1.00 32.40 C ATOM 1344 CG PRO A 90 -0.754 21.699 10.469 1.00 32.12 C ATOM 1345 CD PRO A 90 -1.847 21.838 9.446 1.00 72.32 C ATOM 0 HA PRO A 90 -2.076 18.670 10.180 1.00 64.13 H new ATOM 0 HB2 PRO A 90 -0.232 20.051 11.733 1.00 32.40 H new ATOM 0 HB3 PRO A 90 0.066 19.770 10.030 1.00 32.40 H new ATOM 0 HG2 PRO A 90 -1.003 22.240 11.382 1.00 32.12 H new ATOM 0 HG3 PRO A 90 0.183 22.115 10.098 1.00 32.12 H new ATOM 0 HD2 PRO A 90 -2.413 22.759 9.585 1.00 72.32 H new ATOM 0 HD3 PRO A 90 -1.448 21.859 8.432 1.00 72.32 H new ATOM 1353 N ARG A 91 -3.498 18.537 12.138 1.00 2.21 N ATOM 1354 CA ARG A 91 -4.216 18.343 13.392 1.00 71.21 C ATOM 1355 C ARG A 91 -3.749 17.072 14.095 1.00 64.32 C ATOM 1356 O ARG A 91 -3.160 16.187 13.473 1.00 41.11 O ATOM 1357 CB ARG A 91 -5.723 18.272 13.136 1.00 64.15 C ATOM 1358 CG ARG A 91 -6.511 19.369 13.833 1.00 72.54 C ATOM 1359 CD ARG A 91 -7.890 18.882 14.253 1.00 45.44 C ATOM 1360 NE ARG A 91 -8.175 19.189 15.652 1.00 52.04 N ATOM 1361 CZ ARG A 91 -9.393 19.145 16.180 1.00 53.24 C ATOM 1362 NH1 ARG A 91 -10.433 18.809 15.429 1.00 71.21 N ATOM 1363 NH2 ARG A 91 -9.573 19.438 17.461 1.00 31.33 N ATOM 0 H ARG A 91 -3.635 17.793 11.454 1.00 2.21 H new ATOM 0 HA ARG A 91 -4.004 19.195 14.038 1.00 71.21 H new ATOM 0 HB2 ARG A 91 -5.904 18.332 12.063 1.00 64.15 H new ATOM 0 HB3 ARG A 91 -6.094 17.302 13.468 1.00 64.15 H new ATOM 0 HG2 ARG A 91 -5.962 19.712 14.710 1.00 72.54 H new ATOM 0 HG3 ARG A 91 -6.613 20.225 13.166 1.00 72.54 H new ATOM 0 HD2 ARG A 91 -8.647 19.344 13.619 1.00 45.44 H new ATOM 0 HD3 ARG A 91 -7.958 17.805 14.097 1.00 45.44 H new ATOM 0 HE ARG A 91 -7.396 19.451 16.256 1.00 52.04 H new ATOM 0 HH11 ARG A 91 -10.299 18.584 14.443 1.00 71.21 H new ATOM 0 HH12 ARG A 91 -11.367 18.776 15.837 1.00 71.21 H new ATOM 0 HH21 ARG A 91 -8.776 19.697 18.042 1.00 31.33 H new ATOM 0 HH22 ARG A 91 -10.509 19.404 17.865 1.00 31.33 H new ATOM 1377 N ASP A 92 -4.014 16.989 15.394 1.00 72.53 N ATOM 1378 CA ASP A 92 -3.621 15.826 16.182 1.00 75.14 C ATOM 1379 C ASP A 92 -2.103 15.684 16.221 1.00 71.33 C ATOM 1380 O ASP A 92 -1.576 14.574 16.301 1.00 44.31 O ATOM 1381 CB ASP A 92 -4.250 14.556 15.605 1.00 13.40 C ATOM 1382 CG ASP A 92 -4.579 13.535 16.676 1.00 1.22 C ATOM 1383 OD1 ASP A 92 -5.134 13.930 17.723 1.00 2.51 O ATOM 1384 OD2 ASP A 92 -4.282 12.340 16.467 1.00 11.53 O ATOM 0 H ASP A 92 -4.499 17.713 15.924 1.00 72.53 H new ATOM 0 HA ASP A 92 -3.981 15.970 17.201 1.00 75.14 H new ATOM 0 HB2 ASP A 92 -5.160 14.818 15.065 1.00 13.40 H new ATOM 0 HB3 ASP A 92 -3.566 14.112 14.881 1.00 13.40 H new ATOM 1389 N ARG A 93 -1.406 16.814 16.162 1.00 34.05 N ATOM 1390 CA ARG A 93 0.051 16.815 16.189 1.00 43.11 C ATOM 1391 C ARG A 93 0.580 18.022 16.959 1.00 21.40 C ATOM 1392 O ARG A 93 1.401 17.882 17.866 1.00 62.45 O ATOM 1393 CB ARG A 93 0.608 16.822 14.764 1.00 24.22 C ATOM 1394 CG ARG A 93 2.114 16.624 14.698 1.00 10.00 C ATOM 1395 CD ARG A 93 2.614 16.626 13.262 1.00 54.42 C ATOM 1396 NE ARG A 93 3.720 17.560 13.069 1.00 52.14 N ATOM 1397 CZ ARG A 93 4.975 17.295 13.415 1.00 75.33 C ATOM 1398 NH1 ARG A 93 5.281 16.129 13.968 1.00 14.53 N ATOM 1399 NH2 ARG A 93 5.926 18.196 13.207 1.00 62.32 N ATOM 0 H ARG A 93 -1.827 17.741 16.095 1.00 34.05 H new ATOM 0 HA ARG A 93 0.381 15.909 16.697 1.00 43.11 H new ATOM 0 HB2 ARG A 93 0.121 16.035 14.189 1.00 24.22 H new ATOM 0 HB3 ARG A 93 0.353 17.769 14.288 1.00 24.22 H new ATOM 0 HG2 ARG A 93 2.611 17.416 15.258 1.00 10.00 H new ATOM 0 HG3 ARG A 93 2.379 15.681 15.175 1.00 10.00 H new ATOM 0 HD2 ARG A 93 2.936 15.621 12.989 1.00 54.42 H new ATOM 0 HD3 ARG A 93 1.795 16.891 12.593 1.00 54.42 H new ATOM 0 HE ARG A 93 3.518 18.466 12.645 1.00 52.14 H new ATOM 0 HH11 ARG A 93 4.552 15.434 14.128 1.00 14.53 H new ATOM 0 HH12 ARG A 93 6.245 15.928 14.233 1.00 14.53 H new ATOM 0 HH21 ARG A 93 5.694 19.093 12.781 1.00 62.32 H new ATOM 0 HH22 ARG A 93 6.889 17.992 13.473 1.00 62.32 H new ATOM 1413 N VAL A 94 0.104 19.207 16.591 1.00 1.02 N ATOM 1414 CA VAL A 94 0.528 20.438 17.247 1.00 1.13 C ATOM 1415 C VAL A 94 -0.457 20.848 18.337 1.00 63.35 C ATOM 1416 O VAL A 94 -0.065 21.377 19.375 1.00 3.44 O ATOM 1417 CB VAL A 94 0.669 21.593 16.237 1.00 30.54 C ATOM 1418 CG1 VAL A 94 1.094 22.871 16.943 1.00 14.15 C ATOM 1419 CG2 VAL A 94 1.659 21.224 15.143 1.00 51.34 C ATOM 0 H VAL A 94 -0.575 19.341 15.842 1.00 1.02 H new ATOM 0 HA VAL A 94 1.500 20.238 17.697 1.00 1.13 H new ATOM 0 HB VAL A 94 -0.302 21.769 15.774 1.00 30.54 H new ATOM 0 HG11 VAL A 94 1.188 23.675 16.214 1.00 14.15 H new ATOM 0 HG12 VAL A 94 0.345 23.142 17.687 1.00 14.15 H new ATOM 0 HG13 VAL A 94 2.054 22.713 17.435 1.00 14.15 H new ATOM 0 HG21 VAL A 94 1.747 22.051 14.438 1.00 51.34 H new ATOM 0 HG22 VAL A 94 2.633 21.021 15.587 1.00 51.34 H new ATOM 0 HG23 VAL A 94 1.307 20.336 14.618 1.00 51.34 H new ATOM 1429 N GLY A 95 -1.740 20.598 18.092 1.00 64.25 N ATOM 1430 CA GLY A 95 -2.762 20.947 19.061 1.00 64.40 C ATOM 1431 C GLY A 95 -2.678 20.106 20.320 1.00 44.32 C ATOM 1432 O GLY A 95 -2.625 20.640 21.428 1.00 71.12 O ATOM 0 H GLY A 95 -2.089 20.160 17.240 1.00 64.25 H new ATOM 0 HA2 GLY A 95 -2.665 22.000 19.324 1.00 64.40 H new ATOM 0 HA3 GLY A 95 -3.746 20.821 18.609 1.00 64.40 H new