USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 706 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 83 ASN :FLIP amide:sc=-0.00715 F(o=-0.87,f=-0.0075) USER MOD Set 1.2: A 97 MET CE :methyl -125:sc=-0.000386 (180deg=-0.305) USER MOD Set 2.1: A 33 THR OG1 : rot 161:sc= 0.177 USER MOD Set 2.2: A 43 LYS NZ :NH3+ 141:sc= 0.894 (180deg=-0.285) USER MOD Set 3.1: A 9 THR OG1 : rot 160:sc= 0.612 USER MOD Set 3.2: A 53 THR OG1 : rot -164:sc= 0.854 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.526 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.0577 USER MOD Single : A 26 MET CE :methyl 160:sc= -0.213 (180deg=-0.935) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -0.538 K(o=-0.54,f=-2.3!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.0769 K(o=-0.077,f=-0.85) USER MOD Single : A 66 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0359) USER MOD Single : A 69 LYS NZ :NH3+ -141:sc= -2.4! (180deg=-4.95!) USER MOD Single : A 70 LYS NZ :NH3+ -154:sc= 1.3 (180deg=1.19) USER MOD Single : A 80 LYS NZ :NH3+ -130:sc= 0.864 (180deg=-0.949) USER MOD Single : A 92 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0914) USER MOD Single : A 95 HIS : no HD1:sc= 1.46 K(o=1.5,f=-6!) USER MOD Single : A 100 SER OG : rot -89:sc= 2.04 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 142 N THR A 9 4.888 2.388 13.177 1.00 51.00 N ATOM 143 CA THR A 9 4.697 3.536 12.280 1.00 34.42 C ATOM 144 C THR A 9 5.815 3.618 11.229 1.00 71.45 C ATOM 145 O THR A 9 6.853 2.966 11.359 1.00 62.20 O ATOM 146 CB THR A 9 4.633 4.878 13.053 1.00 75.34 C ATOM 147 OG1 THR A 9 4.370 5.953 12.140 1.00 73.31 O ATOM 148 CG2 THR A 9 5.937 5.154 13.798 1.00 42.51 C ATOM 0 HA THR A 9 3.741 3.375 11.782 1.00 34.42 H new ATOM 0 HB THR A 9 3.828 4.805 13.785 1.00 75.34 H new ATOM 0 HG1 THR A 9 4.017 6.723 12.634 1.00 73.31 H new ATOM 0 HG21 THR A 9 5.859 6.102 14.330 1.00 42.51 H new ATOM 0 HG22 THR A 9 6.125 4.352 14.512 1.00 42.51 H new ATOM 0 HG23 THR A 9 6.760 5.205 13.085 1.00 42.51 H new ATOM 156 N ILE A 10 5.617 4.456 10.211 1.00 63.23 N ATOM 157 CA ILE A 10 6.531 4.523 9.060 1.00 61.13 C ATOM 158 C ILE A 10 7.986 4.812 9.478 1.00 23.44 C ATOM 159 O ILE A 10 8.927 4.227 8.936 1.00 5.41 O ATOM 160 CB ILE A 10 6.062 5.586 8.032 1.00 63.44 C ATOM 161 CG1 ILE A 10 4.620 5.284 7.572 1.00 43.55 C ATOM 162 CG2 ILE A 10 7.010 5.628 6.833 1.00 13.21 C ATOM 163 CD1 ILE A 10 4.075 6.266 6.551 1.00 43.35 C ATOM 0 H ILE A 10 4.830 5.102 10.156 1.00 63.23 H new ATOM 0 HA ILE A 10 6.507 3.538 8.594 1.00 61.13 H new ATOM 0 HB ILE A 10 6.076 6.564 8.513 1.00 63.44 H new ATOM 0 HG12 ILE A 10 4.588 4.281 7.147 1.00 43.55 H new ATOM 0 HG13 ILE A 10 3.965 5.282 8.443 1.00 43.55 H new ATOM 0 HG21 ILE A 10 6.665 6.379 6.123 1.00 13.21 H new ATOM 0 HG22 ILE A 10 8.014 5.883 7.172 1.00 13.21 H new ATOM 0 HG23 ILE A 10 7.028 4.652 6.349 1.00 13.21 H new ATOM 0 HD11 ILE A 10 3.058 5.983 6.281 1.00 43.35 H new ATOM 0 HD12 ILE A 10 4.071 7.269 6.977 1.00 43.35 H new ATOM 0 HD13 ILE A 10 4.704 6.252 5.661 1.00 43.35 H new ATOM 175 N SER A 11 8.163 5.695 10.455 1.00 63.25 N ATOM 176 CA SER A 11 9.505 6.045 10.956 1.00 54.03 C ATOM 177 C SER A 11 10.244 4.835 11.561 1.00 1.12 C ATOM 178 O SER A 11 11.476 4.817 11.621 1.00 2.51 O ATOM 179 CB SER A 11 9.403 7.152 12.012 1.00 72.33 C ATOM 180 OG SER A 11 10.669 7.466 12.573 1.00 75.13 O ATOM 0 H SER A 11 7.400 6.186 10.921 1.00 63.25 H new ATOM 0 HA SER A 11 10.080 6.393 10.098 1.00 54.03 H new ATOM 0 HB2 SER A 11 8.974 8.046 11.560 1.00 72.33 H new ATOM 0 HB3 SER A 11 8.723 6.837 12.804 1.00 72.33 H new ATOM 0 HG SER A 11 10.564 8.176 13.240 1.00 75.13 H new ATOM 186 N LYS A 12 9.492 3.828 12.006 1.00 64.23 N ATOM 187 CA LYS A 12 10.078 2.667 12.694 1.00 11.15 C ATOM 188 C LYS A 12 10.096 1.402 11.819 1.00 3.04 C ATOM 189 O LYS A 12 10.447 0.318 12.295 1.00 33.15 O ATOM 190 CB LYS A 12 9.300 2.380 13.987 1.00 44.43 C ATOM 191 CG LYS A 12 9.262 3.555 14.958 1.00 23.20 C ATOM 192 CD LYS A 12 10.659 3.977 15.399 1.00 44.00 C ATOM 193 CE LYS A 12 10.609 5.146 16.374 1.00 32.41 C ATOM 194 NZ LYS A 12 11.966 5.570 16.800 1.00 10.41 N ATOM 0 H LYS A 12 8.478 3.788 11.905 1.00 64.23 H new ATOM 0 HA LYS A 12 11.113 2.922 12.920 1.00 11.15 H new ATOM 0 HB2 LYS A 12 8.278 2.100 13.730 1.00 44.43 H new ATOM 0 HB3 LYS A 12 9.749 1.522 14.487 1.00 44.43 H new ATOM 0 HG2 LYS A 12 8.760 4.400 14.486 1.00 23.20 H new ATOM 0 HG3 LYS A 12 8.672 3.283 15.833 1.00 23.20 H new ATOM 0 HD2 LYS A 12 11.164 3.132 15.868 1.00 44.00 H new ATOM 0 HD3 LYS A 12 11.248 4.256 14.526 1.00 44.00 H new ATOM 0 HE2 LYS A 12 10.096 5.987 15.907 1.00 32.41 H new ATOM 0 HE3 LYS A 12 10.025 4.863 17.250 1.00 32.41 H new ATOM 0 HZ1 LYS A 12 11.888 6.368 17.463 1.00 10.41 H new ATOM 0 HZ2 LYS A 12 12.447 4.776 17.269 1.00 10.41 H new ATOM 0 HZ3 LYS A 12 12.515 5.864 15.967 1.00 10.41 H new ATOM 208 N LEU A 13 9.733 1.537 10.548 1.00 75.14 N ATOM 209 CA LEU A 13 9.675 0.385 9.642 1.00 61.33 C ATOM 210 C LEU A 13 11.070 -0.187 9.347 1.00 31.35 C ATOM 211 O LEU A 13 11.955 0.507 8.840 1.00 41.24 O ATOM 212 CB LEU A 13 8.975 0.764 8.332 1.00 3.14 C ATOM 213 CG LEU A 13 7.490 1.141 8.471 1.00 4.41 C ATOM 214 CD1 LEU A 13 6.891 1.485 7.113 1.00 60.24 C ATOM 215 CD2 LEU A 13 6.699 0.019 9.139 1.00 70.54 C ATOM 0 H LEU A 13 9.475 2.426 10.119 1.00 75.14 H new ATOM 0 HA LEU A 13 9.098 -0.391 10.146 1.00 61.33 H new ATOM 0 HB2 LEU A 13 9.507 1.603 7.884 1.00 3.14 H new ATOM 0 HB3 LEU A 13 9.058 -0.073 7.638 1.00 3.14 H new ATOM 0 HG LEU A 13 7.427 2.023 9.108 1.00 4.41 H new ATOM 0 HD11 LEU A 13 5.840 1.748 7.235 1.00 60.24 H new ATOM 0 HD12 LEU A 13 7.429 2.329 6.681 1.00 60.24 H new ATOM 0 HD13 LEU A 13 6.974 0.624 6.450 1.00 60.24 H new ATOM 0 HD21 LEU A 13 5.653 0.312 9.224 1.00 70.54 H new ATOM 0 HD22 LEU A 13 6.774 -0.887 8.538 1.00 70.54 H new ATOM 0 HD23 LEU A 13 7.105 -0.171 10.133 1.00 70.54 H new ATOM 227 N GLU A 14 11.248 -1.461 9.675 1.00 12.43 N ATOM 228 CA GLU A 14 12.496 -2.185 9.412 1.00 2.14 C ATOM 229 C GLU A 14 12.317 -3.154 8.233 1.00 31.40 C ATOM 230 O GLU A 14 11.225 -3.677 8.013 1.00 52.21 O ATOM 231 CB GLU A 14 12.910 -2.962 10.671 1.00 63.12 C ATOM 232 CG GLU A 14 14.199 -3.762 10.520 1.00 73.11 C ATOM 233 CD GLU A 14 14.480 -4.648 11.723 1.00 43.44 C ATOM 234 OE1 GLU A 14 14.001 -5.801 11.744 1.00 0.14 O ATOM 235 OE2 GLU A 14 15.161 -4.186 12.666 1.00 54.41 O ATOM 0 H GLU A 14 10.533 -2.027 10.132 1.00 12.43 H new ATOM 0 HA GLU A 14 13.275 -1.468 9.154 1.00 2.14 H new ATOM 0 HB2 GLU A 14 13.027 -2.259 11.495 1.00 63.12 H new ATOM 0 HB3 GLU A 14 12.104 -3.643 10.945 1.00 63.12 H new ATOM 0 HG2 GLU A 14 14.136 -4.380 9.625 1.00 73.11 H new ATOM 0 HG3 GLU A 14 15.034 -3.076 10.376 1.00 73.11 H new ATOM 242 N GLU A 15 13.378 -3.383 7.466 1.00 53.44 N ATOM 243 CA GLU A 15 13.326 -4.362 6.374 1.00 64.23 C ATOM 244 C GLU A 15 12.997 -5.768 6.910 1.00 41.10 C ATOM 245 O GLU A 15 13.702 -6.304 7.769 1.00 31.01 O ATOM 246 CB GLU A 15 14.648 -4.378 5.590 1.00 71.11 C ATOM 247 CG GLU A 15 15.885 -4.604 6.450 1.00 31.31 C ATOM 248 CD GLU A 15 17.140 -4.800 5.618 1.00 34.02 C ATOM 249 OE1 GLU A 15 17.586 -3.836 4.961 1.00 73.34 O ATOM 250 OE2 GLU A 15 17.682 -5.927 5.604 1.00 65.31 O ATOM 0 H GLU A 15 14.277 -2.913 7.574 1.00 53.44 H new ATOM 0 HA GLU A 15 12.529 -4.063 5.694 1.00 64.23 H new ATOM 0 HB2 GLU A 15 14.598 -5.161 4.833 1.00 71.11 H new ATOM 0 HB3 GLU A 15 14.755 -3.430 5.062 1.00 71.11 H new ATOM 0 HG2 GLU A 15 16.023 -3.751 7.115 1.00 31.31 H new ATOM 0 HG3 GLU A 15 15.730 -5.479 7.081 1.00 31.31 H new ATOM 257 N GLY A 16 11.913 -6.352 6.408 1.00 60.05 N ATOM 258 CA GLY A 16 11.459 -7.653 6.890 1.00 72.24 C ATOM 259 C GLY A 16 10.320 -7.552 7.903 1.00 74.22 C ATOM 260 O GLY A 16 9.749 -8.568 8.309 1.00 32.55 O ATOM 0 H GLY A 16 11.335 -5.948 5.671 1.00 60.05 H new ATOM 0 HA2 GLY A 16 11.131 -8.254 6.042 1.00 72.24 H new ATOM 0 HA3 GLY A 16 12.298 -8.178 7.347 1.00 72.24 H new ATOM 264 N ALA A 17 9.980 -6.329 8.300 1.00 2.12 N ATOM 265 CA ALA A 17 8.920 -6.091 9.284 1.00 4.10 C ATOM 266 C ALA A 17 7.521 -6.342 8.702 1.00 60.13 C ATOM 267 O ALA A 17 7.142 -5.754 7.685 1.00 2.14 O ATOM 268 CB ALA A 17 9.014 -4.667 9.816 1.00 45.21 C ATOM 0 H ALA A 17 10.425 -5.479 7.954 1.00 2.12 H new ATOM 0 HA ALA A 17 9.067 -6.800 10.099 1.00 4.10 H new ATOM 0 HB1 ALA A 17 8.223 -4.499 10.547 1.00 45.21 H new ATOM 0 HB2 ALA A 17 9.984 -4.519 10.291 1.00 45.21 H new ATOM 0 HB3 ALA A 17 8.903 -3.963 8.992 1.00 45.21 H new ATOM 274 N GLU A 18 6.759 -7.220 9.350 1.00 73.12 N ATOM 275 CA GLU A 18 5.364 -7.462 8.970 1.00 33.43 C ATOM 276 C GLU A 18 4.427 -6.741 9.948 1.00 43.43 C ATOM 277 O GLU A 18 4.285 -7.144 11.106 1.00 15.13 O ATOM 278 CB GLU A 18 5.083 -8.972 8.964 1.00 13.31 C ATOM 279 CG GLU A 18 3.676 -9.348 8.505 1.00 52.52 C ATOM 280 CD GLU A 18 3.490 -10.853 8.378 1.00 23.01 C ATOM 281 OE1 GLU A 18 3.947 -11.426 7.366 1.00 25.41 O ATOM 282 OE2 GLU A 18 2.900 -11.470 9.290 1.00 45.42 O ATOM 0 H GLU A 18 7.082 -7.777 10.141 1.00 73.12 H new ATOM 0 HA GLU A 18 5.187 -7.071 7.968 1.00 33.43 H new ATOM 0 HB2 GLU A 18 5.808 -9.462 8.314 1.00 13.31 H new ATOM 0 HB3 GLU A 18 5.241 -9.363 9.969 1.00 13.31 H new ATOM 0 HG2 GLU A 18 2.948 -8.953 9.214 1.00 52.52 H new ATOM 0 HG3 GLU A 18 3.473 -8.877 7.543 1.00 52.52 H new ATOM 289 N THR A 19 3.796 -5.668 9.476 1.00 14.12 N ATOM 290 CA THR A 19 2.958 -4.813 10.332 1.00 65.01 C ATOM 291 C THR A 19 1.853 -4.110 9.533 1.00 2.12 C ATOM 292 O THR A 19 1.983 -3.920 8.327 1.00 21.13 O ATOM 293 CB THR A 19 3.816 -3.731 11.043 1.00 51.44 C ATOM 294 OG1 THR A 19 2.982 -2.837 11.800 1.00 50.35 O ATOM 295 CG2 THR A 19 4.645 -2.930 10.038 1.00 54.11 C ATOM 0 H THR A 19 3.846 -5.365 8.503 1.00 14.12 H new ATOM 0 HA THR A 19 2.498 -5.470 11.070 1.00 65.01 H new ATOM 0 HB THR A 19 4.496 -4.248 11.721 1.00 51.44 H new ATOM 0 HG1 THR A 19 3.541 -2.164 12.242 1.00 50.35 H new ATOM 0 HG21 THR A 19 5.234 -2.181 10.567 1.00 54.11 H new ATOM 0 HG22 THR A 19 5.312 -3.602 9.499 1.00 54.11 H new ATOM 0 HG23 THR A 19 3.980 -2.435 9.330 1.00 54.11 H new ATOM 303 N PRO A 20 0.734 -3.736 10.185 1.00 71.12 N ATOM 304 CA PRO A 20 -0.231 -2.794 9.598 1.00 23.03 C ATOM 305 C PRO A 20 0.337 -1.362 9.552 1.00 5.34 C ATOM 306 O PRO A 20 0.997 -0.920 10.494 1.00 73.42 O ATOM 307 CB PRO A 20 -1.434 -2.880 10.550 1.00 70.03 C ATOM 308 CG PRO A 20 -0.855 -3.318 11.855 1.00 42.44 C ATOM 309 CD PRO A 20 0.301 -4.222 11.512 1.00 42.12 C ATOM 0 HA PRO A 20 -0.483 -3.037 8.566 1.00 23.03 H new ATOM 0 HB2 PRO A 20 -1.935 -1.916 10.643 1.00 70.03 H new ATOM 0 HB3 PRO A 20 -2.176 -3.592 10.187 1.00 70.03 H new ATOM 0 HG2 PRO A 20 -0.521 -2.462 12.441 1.00 42.44 H new ATOM 0 HG3 PRO A 20 -1.598 -3.844 12.455 1.00 42.44 H new ATOM 0 HD2 PRO A 20 1.101 -4.147 12.248 1.00 42.12 H new ATOM 0 HD3 PRO A 20 -0.004 -5.268 11.477 1.00 42.12 H new ATOM 317 N VAL A 21 0.084 -0.643 8.458 1.00 61.41 N ATOM 318 CA VAL A 21 0.634 0.709 8.277 1.00 23.41 C ATOM 319 C VAL A 21 -0.463 1.751 8.006 1.00 74.22 C ATOM 320 O VAL A 21 -1.494 1.446 7.405 1.00 33.40 O ATOM 321 CB VAL A 21 1.668 0.754 7.119 1.00 64.22 C ATOM 322 CG1 VAL A 21 2.876 -0.130 7.427 1.00 3.32 C ATOM 323 CG2 VAL A 21 1.021 0.343 5.794 1.00 22.34 C ATOM 0 H VAL A 21 -0.495 -0.969 7.684 1.00 61.41 H new ATOM 0 HA VAL A 21 1.130 0.958 9.215 1.00 23.41 H new ATOM 0 HB VAL A 21 2.018 1.782 7.023 1.00 64.22 H new ATOM 0 HG11 VAL A 21 3.584 -0.080 6.600 1.00 3.32 H new ATOM 0 HG12 VAL A 21 3.359 0.219 8.340 1.00 3.32 H new ATOM 0 HG13 VAL A 21 2.548 -1.161 7.562 1.00 3.32 H new ATOM 0 HG21 VAL A 21 1.765 0.382 4.998 1.00 22.34 H new ATOM 0 HG22 VAL A 21 0.633 -0.672 5.878 1.00 22.34 H new ATOM 0 HG23 VAL A 21 0.204 1.026 5.561 1.00 22.34 H new ATOM 333 N THR A 22 -0.224 2.983 8.452 1.00 2.23 N ATOM 334 CA THR A 22 -1.141 4.107 8.197 1.00 72.22 C ATOM 335 C THR A 22 -0.409 5.249 7.481 1.00 4.01 C ATOM 336 O THR A 22 0.731 5.564 7.816 1.00 65.44 O ATOM 337 CB THR A 22 -1.755 4.663 9.511 1.00 40.13 C ATOM 338 OG1 THR A 22 -2.461 3.629 10.214 1.00 71.22 O ATOM 339 CG2 THR A 22 -2.711 5.821 9.228 1.00 40.44 C ATOM 0 H THR A 22 0.601 3.235 8.996 1.00 2.23 H new ATOM 0 HA THR A 22 -1.943 3.721 7.568 1.00 72.22 H new ATOM 0 HB THR A 22 -0.933 5.027 10.127 1.00 40.13 H new ATOM 0 HG1 THR A 22 -2.840 3.995 11.040 1.00 71.22 H new ATOM 0 HG21 THR A 22 -3.125 6.189 10.167 1.00 40.44 H new ATOM 0 HG22 THR A 22 -2.170 6.626 8.730 1.00 40.44 H new ATOM 0 HG23 THR A 22 -3.521 5.476 8.585 1.00 40.44 H new ATOM 347 N GLY A 23 -1.062 5.870 6.498 1.00 42.51 N ATOM 348 CA GLY A 23 -0.442 6.982 5.780 1.00 44.24 C ATOM 349 C GLY A 23 -1.432 7.804 4.960 1.00 10.52 C ATOM 350 O GLY A 23 -2.463 7.296 4.513 1.00 13.51 O ATOM 0 H GLY A 23 -2.002 5.628 6.186 1.00 42.51 H new ATOM 0 HA2 GLY A 23 0.054 7.636 6.497 1.00 44.24 H new ATOM 0 HA3 GLY A 23 0.330 6.591 5.117 1.00 44.24 H new ATOM 354 N ARG A 24 -1.115 9.082 4.764 1.00 13.10 N ATOM 355 CA ARG A 24 -1.958 9.984 3.972 1.00 45.34 C ATOM 356 C ARG A 24 -1.614 9.880 2.480 1.00 21.35 C ATOM 357 O ARG A 24 -0.495 10.190 2.075 1.00 25.45 O ATOM 358 CB ARG A 24 -1.765 11.427 4.457 1.00 50.03 C ATOM 359 CG ARG A 24 -2.071 11.618 5.938 1.00 1.44 C ATOM 360 CD ARG A 24 -1.813 13.048 6.398 1.00 11.45 C ATOM 361 NE ARG A 24 -0.390 13.384 6.386 1.00 20.43 N ATOM 362 CZ ARG A 24 0.263 13.821 7.430 1.00 22.10 C ATOM 363 NH1 ARG A 24 -0.330 13.930 8.576 1.00 10.55 N ATOM 364 NH2 ARG A 24 1.517 14.123 7.336 1.00 13.32 N ATOM 0 H ARG A 24 -0.276 9.521 5.144 1.00 13.10 H new ATOM 0 HA ARG A 24 -3.000 9.694 4.103 1.00 45.34 H new ATOM 0 HB2 ARG A 24 -0.736 11.732 4.265 1.00 50.03 H new ATOM 0 HB3 ARG A 24 -2.407 12.087 3.874 1.00 50.03 H new ATOM 0 HG2 ARG A 24 -3.112 11.359 6.129 1.00 1.44 H new ATOM 0 HG3 ARG A 24 -1.459 10.933 6.525 1.00 1.44 H new ATOM 0 HD2 ARG A 24 -2.353 13.739 5.751 1.00 11.45 H new ATOM 0 HD3 ARG A 24 -2.207 13.180 7.405 1.00 11.45 H new ATOM 0 HE ARG A 24 0.123 13.271 5.512 1.00 20.43 H new ATOM 0 HH11 ARG A 24 -1.313 13.674 8.668 1.00 10.55 H new ATOM 0 HH12 ARG A 24 0.186 14.272 9.387 1.00 10.55 H new ATOM 0 HH21 ARG A 24 2.001 14.020 6.444 1.00 13.32 H new ATOM 0 HH22 ARG A 24 2.022 14.464 8.154 1.00 13.32 H new ATOM 378 N VAL A 25 -2.578 9.455 1.668 1.00 33.11 N ATOM 379 CA VAL A 25 -2.351 9.245 0.231 1.00 2.22 C ATOM 380 C VAL A 25 -1.961 10.552 -0.476 1.00 22.23 C ATOM 381 O VAL A 25 -2.776 11.470 -0.611 1.00 54.43 O ATOM 382 CB VAL A 25 -3.608 8.652 -0.455 1.00 53.24 C ATOM 383 CG1 VAL A 25 -3.348 8.383 -1.936 1.00 32.43 C ATOM 384 CG2 VAL A 25 -4.065 7.380 0.258 1.00 13.12 C ATOM 0 H VAL A 25 -3.528 9.247 1.976 1.00 33.11 H new ATOM 0 HA VAL A 25 -1.527 8.537 0.144 1.00 2.22 H new ATOM 0 HB VAL A 25 -4.409 9.387 -0.384 1.00 53.24 H new ATOM 0 HG11 VAL A 25 -4.246 7.967 -2.393 1.00 32.43 H new ATOM 0 HG12 VAL A 25 -3.085 9.316 -2.435 1.00 32.43 H new ATOM 0 HG13 VAL A 25 -2.527 7.673 -2.038 1.00 32.43 H new ATOM 0 HG21 VAL A 25 -4.948 6.981 -0.240 1.00 13.12 H new ATOM 0 HG22 VAL A 25 -3.266 6.639 0.228 1.00 13.12 H new ATOM 0 HG23 VAL A 25 -4.307 7.611 1.295 1.00 13.12 H new ATOM 394 N MET A 26 -0.708 10.628 -0.913 1.00 2.41 N ATOM 395 CA MET A 26 -0.178 11.825 -1.574 1.00 43.33 C ATOM 396 C MET A 26 -0.148 11.661 -3.099 1.00 34.24 C ATOM 397 O MET A 26 -0.611 12.531 -3.833 1.00 61.02 O ATOM 398 CB MET A 26 1.233 12.121 -1.050 1.00 5.42 C ATOM 399 CG MET A 26 1.884 13.354 -1.663 1.00 14.34 C ATOM 400 SD MET A 26 3.531 13.669 -0.998 1.00 24.11 S ATOM 401 CE MET A 26 4.371 12.144 -1.422 1.00 31.41 C ATOM 0 H MET A 26 -0.032 9.870 -0.822 1.00 2.41 H new ATOM 0 HA MET A 26 -0.839 12.660 -1.343 1.00 43.33 H new ATOM 0 HB2 MET A 26 1.187 12.249 0.031 1.00 5.42 H new ATOM 0 HB3 MET A 26 1.868 11.256 -1.242 1.00 5.42 H new ATOM 0 HG2 MET A 26 1.950 13.227 -2.743 1.00 14.34 H new ATOM 0 HG3 MET A 26 1.251 14.223 -1.483 1.00 14.34 H new ATOM 0 HE1 MET A 26 5.449 12.306 -1.408 1.00 31.41 H new ATOM 0 HE2 MET A 26 4.111 11.372 -0.698 1.00 31.41 H new ATOM 0 HE3 MET A 26 4.065 11.825 -2.418 1.00 31.41 H new ATOM 411 N LYS A 27 0.415 10.548 -3.565 1.00 63.20 N ATOM 412 CA LYS A 27 0.515 10.266 -5.005 1.00 74.20 C ATOM 413 C LYS A 27 0.074 8.826 -5.320 1.00 55.24 C ATOM 414 O LYS A 27 0.325 7.910 -4.539 1.00 54.44 O ATOM 415 CB LYS A 27 1.956 10.482 -5.505 1.00 41.24 C ATOM 416 CG LYS A 27 2.460 11.925 -5.410 1.00 4.43 C ATOM 417 CD LYS A 27 1.507 12.903 -6.094 1.00 60.12 C ATOM 418 CE LYS A 27 2.174 14.238 -6.422 1.00 63.14 C ATOM 419 NZ LYS A 27 2.584 14.985 -5.203 1.00 72.45 N ATOM 0 H LYS A 27 0.811 9.822 -2.969 1.00 63.20 H new ATOM 0 HA LYS A 27 -0.151 10.958 -5.521 1.00 74.20 H new ATOM 0 HB2 LYS A 27 2.625 9.840 -4.931 1.00 41.24 H new ATOM 0 HB3 LYS A 27 2.017 10.158 -6.544 1.00 41.24 H new ATOM 0 HG2 LYS A 27 2.575 12.202 -4.362 1.00 4.43 H new ATOM 0 HG3 LYS A 27 3.446 11.997 -5.869 1.00 4.43 H new ATOM 0 HD2 LYS A 27 1.129 12.454 -7.013 1.00 60.12 H new ATOM 0 HD3 LYS A 27 0.647 13.079 -5.448 1.00 60.12 H new ATOM 0 HE2 LYS A 27 3.050 14.059 -7.046 1.00 63.14 H new ATOM 0 HE3 LYS A 27 1.486 14.850 -7.005 1.00 63.14 H new ATOM 0 HZ1 LYS A 27 3.031 15.882 -5.480 1.00 72.45 H new ATOM 0 HZ2 LYS A 27 1.747 15.181 -4.618 1.00 72.45 H new ATOM 0 HZ3 LYS A 27 3.261 14.415 -4.658 1.00 72.45 H new ATOM 433 N ILE A 28 -0.591 8.632 -6.459 1.00 22.24 N ATOM 434 CA ILE A 28 -1.012 7.289 -6.893 1.00 14.21 C ATOM 435 C ILE A 28 -0.545 6.983 -8.328 1.00 0.24 C ATOM 436 O ILE A 28 -0.854 7.724 -9.263 1.00 14.02 O ATOM 437 CB ILE A 28 -2.555 7.127 -6.829 1.00 53.20 C ATOM 438 CG1 ILE A 28 -3.063 7.321 -5.390 1.00 11.52 C ATOM 439 CG2 ILE A 28 -2.979 5.757 -7.365 1.00 42.02 C ATOM 440 CD1 ILE A 28 -4.567 7.188 -5.242 1.00 40.01 C ATOM 0 H ILE A 28 -0.852 9.382 -7.100 1.00 22.24 H new ATOM 0 HA ILE A 28 -0.544 6.585 -6.204 1.00 14.21 H new ATOM 0 HB ILE A 28 -3.002 7.896 -7.459 1.00 53.20 H new ATOM 0 HG12 ILE A 28 -2.579 6.589 -4.743 1.00 11.52 H new ATOM 0 HG13 ILE A 28 -2.760 8.307 -5.039 1.00 11.52 H new ATOM 0 HG21 ILE A 28 -4.064 5.665 -7.311 1.00 42.02 H new ATOM 0 HG22 ILE A 28 -2.658 5.657 -8.402 1.00 42.02 H new ATOM 0 HG23 ILE A 28 -2.518 4.973 -6.765 1.00 42.02 H new ATOM 0 HD11 ILE A 28 -4.845 7.338 -4.199 1.00 40.01 H new ATOM 0 HD12 ILE A 28 -5.061 7.937 -5.860 1.00 40.01 H new ATOM 0 HD13 ILE A 28 -4.877 6.193 -5.560 1.00 40.01 H new ATOM 452 N SER A 29 0.190 5.884 -8.495 1.00 23.15 N ATOM 453 CA SER A 29 0.611 5.420 -9.824 1.00 55.32 C ATOM 454 C SER A 29 -0.381 4.394 -10.383 1.00 72.53 C ATOM 455 O SER A 29 -1.079 3.718 -9.627 1.00 22.13 O ATOM 456 CB SER A 29 2.012 4.793 -9.770 1.00 53.01 C ATOM 457 OG SER A 29 2.988 5.741 -9.366 1.00 1.32 O ATOM 0 H SER A 29 0.509 5.294 -7.726 1.00 23.15 H new ATOM 0 HA SER A 29 0.636 6.290 -10.480 1.00 55.32 H new ATOM 0 HB2 SER A 29 2.010 3.953 -9.076 1.00 53.01 H new ATOM 0 HB3 SER A 29 2.273 4.396 -10.751 1.00 53.01 H new ATOM 0 HG SER A 29 3.869 5.312 -9.339 1.00 1.32 H new ATOM 463 N SER A 30 -0.433 4.277 -11.706 1.00 53.11 N ATOM 464 CA SER A 30 -1.363 3.352 -12.371 1.00 44.14 C ATOM 465 C SER A 30 -0.922 1.888 -12.204 1.00 63.13 C ATOM 466 O SER A 30 0.269 1.597 -12.081 1.00 51.43 O ATOM 467 CB SER A 30 -1.477 3.682 -13.868 1.00 41.23 C ATOM 468 OG SER A 30 -1.659 5.075 -14.080 1.00 0.41 O ATOM 0 H SER A 30 0.157 4.810 -12.346 1.00 53.11 H new ATOM 0 HA SER A 30 -2.336 3.477 -11.895 1.00 44.14 H new ATOM 0 HB2 SER A 30 -0.577 3.348 -14.385 1.00 41.23 H new ATOM 0 HB3 SER A 30 -2.315 3.134 -14.300 1.00 41.23 H new ATOM 0 HG SER A 30 -1.726 5.254 -15.041 1.00 0.41 H new ATOM 474 N PRO A 31 -1.883 0.944 -12.204 1.00 4.11 N ATOM 475 CA PRO A 31 -1.588 -0.494 -12.060 1.00 42.21 C ATOM 476 C PRO A 31 -1.014 -1.131 -13.341 1.00 23.52 C ATOM 477 O PRO A 31 -1.572 -0.981 -14.432 1.00 31.01 O ATOM 478 CB PRO A 31 -2.963 -1.089 -11.734 1.00 14.23 C ATOM 479 CG PRO A 31 -3.924 -0.186 -12.432 1.00 41.41 C ATOM 480 CD PRO A 31 -3.336 1.196 -12.333 1.00 5.44 C ATOM 0 HA PRO A 31 -0.824 -0.677 -11.305 1.00 42.21 H new ATOM 0 HB2 PRO A 31 -3.048 -2.115 -12.092 1.00 14.23 H new ATOM 0 HB3 PRO A 31 -3.144 -1.110 -10.659 1.00 14.23 H new ATOM 0 HG2 PRO A 31 -4.053 -0.482 -13.473 1.00 41.41 H new ATOM 0 HG3 PRO A 31 -4.908 -0.226 -11.965 1.00 41.41 H new ATOM 0 HD2 PRO A 31 -3.563 1.793 -13.216 1.00 5.44 H new ATOM 0 HD3 PRO A 31 -3.727 1.738 -11.472 1.00 5.44 H new ATOM 488 N ARG A 32 0.096 -1.851 -13.202 1.00 52.31 N ATOM 489 CA ARG A 32 0.695 -2.587 -14.320 1.00 21.15 C ATOM 490 C ARG A 32 0.218 -4.045 -14.334 1.00 21.44 C ATOM 491 O ARG A 32 0.238 -4.726 -13.305 1.00 60.11 O ATOM 492 CB ARG A 32 2.229 -2.537 -14.237 1.00 73.43 C ATOM 493 CG ARG A 32 2.936 -3.427 -15.261 1.00 52.52 C ATOM 494 CD ARG A 32 4.450 -3.227 -15.241 1.00 25.44 C ATOM 495 NE ARG A 32 4.829 -1.906 -15.739 1.00 60.20 N ATOM 496 CZ ARG A 32 5.748 -1.145 -15.207 1.00 3.12 C ATOM 497 NH1 ARG A 32 6.403 -1.528 -14.158 1.00 34.25 N ATOM 498 NH2 ARG A 32 6.010 0.004 -15.734 1.00 73.34 N ATOM 0 H ARG A 32 0.604 -1.943 -12.322 1.00 52.31 H new ATOM 0 HA ARG A 32 0.375 -2.110 -15.246 1.00 21.15 H new ATOM 0 HB2 ARG A 32 2.557 -1.507 -14.378 1.00 73.43 H new ATOM 0 HB3 ARG A 32 2.539 -2.836 -13.236 1.00 73.43 H new ATOM 0 HG2 ARG A 32 2.705 -4.472 -15.054 1.00 52.52 H new ATOM 0 HG3 ARG A 32 2.554 -3.207 -16.258 1.00 52.52 H new ATOM 0 HD2 ARG A 32 4.820 -3.352 -14.223 1.00 25.44 H new ATOM 0 HD3 ARG A 32 4.926 -3.996 -15.850 1.00 25.44 H new ATOM 0 HE ARG A 32 4.340 -1.553 -16.562 1.00 60.20 H new ATOM 0 HH11 ARG A 32 6.204 -2.435 -13.736 1.00 34.25 H new ATOM 0 HH12 ARG A 32 7.118 -0.923 -13.754 1.00 34.25 H new ATOM 0 HH21 ARG A 32 5.500 0.314 -16.562 1.00 73.34 H new ATOM 0 HH22 ARG A 32 6.727 0.602 -15.323 1.00 73.34 H new ATOM 512 N THR A 33 -0.211 -4.515 -15.504 1.00 32.23 N ATOM 513 CA THR A 33 -0.696 -5.891 -15.661 1.00 31.41 C ATOM 514 C THR A 33 0.412 -6.820 -16.170 1.00 62.22 C ATOM 515 O THR A 33 1.022 -6.569 -17.213 1.00 52.30 O ATOM 516 CB THR A 33 -1.895 -5.965 -16.643 1.00 73.21 C ATOM 517 OG1 THR A 33 -2.941 -5.079 -16.217 1.00 12.44 O ATOM 518 CG2 THR A 33 -2.452 -7.383 -16.734 1.00 13.22 C ATOM 0 H THR A 33 -0.234 -3.963 -16.362 1.00 32.23 H new ATOM 0 HA THR A 33 -1.019 -6.218 -14.673 1.00 31.41 H new ATOM 0 HB THR A 33 -1.532 -5.666 -17.627 1.00 73.21 H new ATOM 0 HG1 THR A 33 -3.542 -4.897 -16.969 1.00 12.44 H new ATOM 0 HG21 THR A 33 -3.291 -7.400 -17.430 1.00 13.22 H new ATOM 0 HG22 THR A 33 -1.673 -8.058 -17.088 1.00 13.22 H new ATOM 0 HG23 THR A 33 -2.791 -7.705 -15.749 1.00 13.22 H new ATOM 526 N PHE A 34 0.669 -7.888 -15.427 1.00 40.34 N ATOM 527 CA PHE A 34 1.639 -8.916 -15.824 1.00 55.51 C ATOM 528 C PHE A 34 0.943 -10.278 -15.920 1.00 31.14 C ATOM 529 O PHE A 34 -0.246 -10.379 -15.646 1.00 14.31 O ATOM 530 CB PHE A 34 2.819 -8.972 -14.836 1.00 71.21 C ATOM 531 CG PHE A 34 2.441 -9.320 -13.415 1.00 31.20 C ATOM 532 CD1 PHE A 34 2.395 -10.643 -12.995 1.00 72.31 C ATOM 533 CD2 PHE A 34 2.151 -8.321 -12.495 1.00 2.31 C ATOM 534 CE1 PHE A 34 2.063 -10.963 -11.692 1.00 1.21 C ATOM 535 CE2 PHE A 34 1.821 -8.637 -11.190 1.00 62.54 C ATOM 536 CZ PHE A 34 1.776 -9.958 -10.788 1.00 41.13 C ATOM 0 H PHE A 34 0.215 -8.072 -14.532 1.00 40.34 H new ATOM 0 HA PHE A 34 2.041 -8.657 -16.803 1.00 55.51 H new ATOM 0 HB2 PHE A 34 3.540 -9.706 -15.195 1.00 71.21 H new ATOM 0 HB3 PHE A 34 3.321 -8.005 -14.837 1.00 71.21 H new ATOM 0 HD1 PHE A 34 2.622 -11.433 -13.696 1.00 72.31 H new ATOM 0 HD2 PHE A 34 2.184 -7.286 -12.802 1.00 2.31 H new ATOM 0 HE1 PHE A 34 2.028 -11.997 -11.381 1.00 1.21 H new ATOM 0 HE2 PHE A 34 1.598 -7.850 -10.484 1.00 62.54 H new ATOM 0 HZ PHE A 34 1.517 -10.205 -9.769 1.00 41.13 H new ATOM 666 N GLY A 42 -2.748 -11.149 -13.178 1.00 23.01 N ATOM 667 CA GLY A 42 -1.765 -10.542 -12.282 1.00 2.32 C ATOM 668 C GLY A 42 -1.594 -9.032 -12.506 1.00 41.43 C ATOM 669 O GLY A 42 -1.500 -8.567 -13.641 1.00 5.24 O ATOM 0 HA2 GLY A 42 -2.067 -10.718 -11.249 1.00 2.32 H new ATOM 0 HA3 GLY A 42 -0.803 -11.035 -12.421 1.00 2.32 H new ATOM 673 N LYS A 43 -1.547 -8.269 -11.412 1.00 22.43 N ATOM 674 CA LYS A 43 -1.383 -6.804 -11.460 1.00 32.00 C ATOM 675 C LYS A 43 -0.621 -6.284 -10.232 1.00 55.22 C ATOM 676 O LYS A 43 -0.573 -6.943 -9.191 1.00 3.20 O ATOM 677 CB LYS A 43 -2.741 -6.073 -11.544 1.00 50.40 C ATOM 678 CG LYS A 43 -3.450 -6.166 -12.895 1.00 34.15 C ATOM 679 CD LYS A 43 -4.765 -5.379 -12.889 1.00 72.02 C ATOM 680 CE LYS A 43 -5.150 -4.872 -14.277 1.00 41.10 C ATOM 681 NZ LYS A 43 -5.301 -5.971 -15.259 1.00 3.14 N ATOM 0 H LYS A 43 -1.621 -8.643 -10.466 1.00 22.43 H new ATOM 0 HA LYS A 43 -0.809 -6.593 -12.363 1.00 32.00 H new ATOM 0 HB2 LYS A 43 -3.401 -6.478 -10.777 1.00 50.40 H new ATOM 0 HB3 LYS A 43 -2.584 -5.021 -11.306 1.00 50.40 H new ATOM 0 HG2 LYS A 43 -2.797 -5.781 -13.678 1.00 34.15 H new ATOM 0 HG3 LYS A 43 -3.650 -7.211 -13.132 1.00 34.15 H new ATOM 0 HD2 LYS A 43 -5.563 -6.014 -12.504 1.00 72.02 H new ATOM 0 HD3 LYS A 43 -4.675 -4.532 -12.209 1.00 72.02 H new ATOM 0 HE2 LYS A 43 -6.086 -4.316 -14.211 1.00 41.10 H new ATOM 0 HE3 LYS A 43 -4.390 -4.175 -14.630 1.00 41.10 H new ATOM 0 HZ1 LYS A 43 -6.109 -5.771 -15.882 1.00 3.14 H new ATOM 0 HZ2 LYS A 43 -4.435 -6.048 -15.829 1.00 3.14 H new ATOM 0 HZ3 LYS A 43 -5.465 -6.866 -14.756 1.00 3.14 H new ATOM 695 N LEU A 44 -0.031 -5.098 -10.373 1.00 34.53 N ATOM 696 CA LEU A 44 0.638 -4.415 -9.261 1.00 23.41 C ATOM 697 C LEU A 44 0.524 -2.887 -9.413 1.00 65.31 C ATOM 698 O LEU A 44 0.576 -2.358 -10.523 1.00 41.35 O ATOM 699 CB LEU A 44 2.113 -4.865 -9.162 1.00 12.52 C ATOM 700 CG LEU A 44 2.979 -4.683 -10.433 1.00 10.44 C ATOM 701 CD1 LEU A 44 3.511 -3.254 -10.553 1.00 43.02 C ATOM 702 CD2 LEU A 44 4.130 -5.690 -10.449 1.00 20.12 C ATOM 0 H LEU A 44 -0.002 -4.584 -11.254 1.00 34.53 H new ATOM 0 HA LEU A 44 0.141 -4.691 -8.331 1.00 23.41 H new ATOM 0 HB2 LEU A 44 2.583 -4.315 -8.347 1.00 12.52 H new ATOM 0 HB3 LEU A 44 2.130 -5.919 -8.886 1.00 12.52 H new ATOM 0 HG LEU A 44 2.340 -4.870 -11.296 1.00 10.44 H new ATOM 0 HD11 LEU A 44 4.114 -3.165 -11.457 1.00 43.02 H new ATOM 0 HD12 LEU A 44 2.674 -2.557 -10.605 1.00 43.02 H new ATOM 0 HD13 LEU A 44 4.125 -3.020 -9.683 1.00 43.02 H new ATOM 0 HD21 LEU A 44 4.727 -5.546 -11.350 1.00 20.12 H new ATOM 0 HD22 LEU A 44 4.757 -5.540 -9.570 1.00 20.12 H new ATOM 0 HD23 LEU A 44 3.727 -6.703 -10.438 1.00 20.12 H new ATOM 714 N ALA A 45 0.343 -2.188 -8.297 1.00 21.12 N ATOM 715 CA ALA A 45 0.219 -0.723 -8.304 1.00 25.34 C ATOM 716 C ALA A 45 1.030 -0.081 -7.170 1.00 63.15 C ATOM 717 O ALA A 45 1.191 -0.669 -6.101 1.00 32.42 O ATOM 718 CB ALA A 45 -1.249 -0.318 -8.200 1.00 52.31 C ATOM 0 H ALA A 45 0.278 -2.608 -7.370 1.00 21.12 H new ATOM 0 HA ALA A 45 0.625 -0.359 -9.248 1.00 25.34 H new ATOM 0 HB1 ALA A 45 -1.328 0.769 -8.206 1.00 52.31 H new ATOM 0 HB2 ALA A 45 -1.800 -0.727 -9.047 1.00 52.31 H new ATOM 0 HB3 ALA A 45 -1.669 -0.707 -7.272 1.00 52.31 H new ATOM 724 N ASN A 46 1.531 1.131 -7.402 1.00 0.15 N ATOM 725 CA ASN A 46 2.329 1.846 -6.398 1.00 20.22 C ATOM 726 C ASN A 46 1.602 3.100 -5.890 1.00 13.04 C ATOM 727 O ASN A 46 1.417 4.068 -6.629 1.00 72.03 O ATOM 728 CB ASN A 46 3.696 2.240 -6.975 1.00 63.53 C ATOM 729 CG ASN A 46 4.529 1.033 -7.370 1.00 34.21 C ATOM 730 OD1 ASN A 46 5.258 0.477 -6.560 1.00 4.04 O ATOM 731 ND2 ASN A 46 4.438 0.622 -8.620 1.00 53.25 N ATOM 0 H ASN A 46 1.400 1.642 -8.275 1.00 0.15 H new ATOM 0 HA ASN A 46 2.475 1.169 -5.556 1.00 20.22 H new ATOM 0 HB2 ASN A 46 3.549 2.877 -7.847 1.00 63.53 H new ATOM 0 HB3 ASN A 46 4.242 2.829 -6.238 1.00 63.53 H new ATOM 0 HD21 ASN A 46 4.984 -0.180 -8.934 1.00 53.25 H new ATOM 0 HD22 ASN A 46 3.821 1.106 -9.272 1.00 53.25 H new ATOM 738 N VAL A 47 1.184 3.073 -4.627 1.00 24.34 N ATOM 739 CA VAL A 47 0.539 4.228 -3.990 1.00 35.25 C ATOM 740 C VAL A 47 1.452 4.838 -2.916 1.00 50.15 C ATOM 741 O VAL A 47 1.864 4.159 -1.978 1.00 2.53 O ATOM 742 CB VAL A 47 -0.820 3.837 -3.350 1.00 42.12 C ATOM 743 CG1 VAL A 47 -1.479 5.044 -2.680 1.00 73.13 C ATOM 744 CG2 VAL A 47 -1.750 3.223 -4.395 1.00 13.43 C ATOM 0 H VAL A 47 1.279 2.261 -4.018 1.00 24.34 H new ATOM 0 HA VAL A 47 0.357 4.967 -4.771 1.00 35.25 H new ATOM 0 HB VAL A 47 -0.628 3.090 -2.580 1.00 42.12 H new ATOM 0 HG11 VAL A 47 -2.429 4.742 -2.240 1.00 73.13 H new ATOM 0 HG12 VAL A 47 -0.824 5.429 -1.899 1.00 73.13 H new ATOM 0 HG13 VAL A 47 -1.654 5.822 -3.423 1.00 73.13 H new ATOM 0 HG21 VAL A 47 -2.697 2.956 -3.927 1.00 13.43 H new ATOM 0 HG22 VAL A 47 -1.930 3.945 -5.191 1.00 13.43 H new ATOM 0 HG23 VAL A 47 -1.287 2.329 -4.814 1.00 13.43 H new ATOM 754 N ILE A 48 1.762 6.123 -3.056 1.00 44.52 N ATOM 755 CA ILE A 48 2.666 6.807 -2.126 1.00 4.05 C ATOM 756 C ILE A 48 1.893 7.479 -0.983 1.00 34.01 C ATOM 757 O ILE A 48 1.193 8.479 -1.185 1.00 11.11 O ATOM 758 CB ILE A 48 3.523 7.878 -2.852 1.00 31.20 C ATOM 759 CG1 ILE A 48 4.336 7.240 -3.990 1.00 25.43 C ATOM 760 CG2 ILE A 48 4.451 8.590 -1.863 1.00 23.53 C ATOM 761 CD1 ILE A 48 5.322 6.191 -3.523 1.00 63.51 C ATOM 0 H ILE A 48 1.402 6.716 -3.804 1.00 44.52 H new ATOM 0 HA ILE A 48 3.323 6.042 -1.713 1.00 4.05 H new ATOM 0 HB ILE A 48 2.849 8.618 -3.284 1.00 31.20 H new ATOM 0 HG12 ILE A 48 3.649 6.787 -4.705 1.00 25.43 H new ATOM 0 HG13 ILE A 48 4.877 8.023 -4.521 1.00 25.43 H new ATOM 0 HG21 ILE A 48 5.043 9.337 -2.392 1.00 23.53 H new ATOM 0 HG22 ILE A 48 3.855 9.079 -1.092 1.00 23.53 H new ATOM 0 HG23 ILE A 48 5.116 7.862 -1.399 1.00 23.53 H new ATOM 0 HD11 ILE A 48 5.858 5.787 -4.382 1.00 63.51 H new ATOM 0 HD12 ILE A 48 6.033 6.643 -2.831 1.00 63.51 H new ATOM 0 HD13 ILE A 48 4.786 5.387 -3.019 1.00 63.51 H new ATOM 773 N ILE A 49 2.030 6.924 0.218 1.00 10.21 N ATOM 774 CA ILE A 49 1.384 7.474 1.414 1.00 74.12 C ATOM 775 C ILE A 49 2.412 8.167 2.324 1.00 13.44 C ATOM 776 O ILE A 49 3.518 7.666 2.526 1.00 10.43 O ATOM 777 CB ILE A 49 0.637 6.370 2.213 1.00 74.50 C ATOM 778 CG1 ILE A 49 1.598 5.232 2.612 1.00 63.12 C ATOM 779 CG2 ILE A 49 -0.541 5.828 1.398 1.00 23.14 C ATOM 780 CD1 ILE A 49 0.938 4.116 3.402 1.00 14.33 C ATOM 0 H ILE A 49 2.586 6.087 0.393 1.00 10.21 H new ATOM 0 HA ILE A 49 0.655 8.211 1.077 1.00 74.12 H new ATOM 0 HB ILE A 49 0.248 6.814 3.129 1.00 74.50 H new ATOM 0 HG12 ILE A 49 2.042 4.811 1.709 1.00 63.12 H new ATOM 0 HG13 ILE A 49 2.413 5.649 3.203 1.00 63.12 H new ATOM 0 HG21 ILE A 49 -1.055 5.056 1.970 1.00 23.14 H new ATOM 0 HG22 ILE A 49 -1.235 6.639 1.178 1.00 23.14 H new ATOM 0 HG23 ILE A 49 -0.173 5.403 0.464 1.00 23.14 H new ATOM 0 HD11 ILE A 49 1.679 3.354 3.645 1.00 14.33 H new ATOM 0 HD12 ILE A 49 0.519 4.521 4.323 1.00 14.33 H new ATOM 0 HD13 ILE A 49 0.141 3.670 2.806 1.00 14.33 H new ATOM 792 N ALA A 50 2.047 9.322 2.867 1.00 22.41 N ATOM 793 CA ALA A 50 2.964 10.111 3.693 1.00 4.21 C ATOM 794 C ALA A 50 2.375 10.415 5.075 1.00 61.30 C ATOM 795 O ALA A 50 1.207 10.786 5.200 1.00 44.32 O ATOM 796 CB ALA A 50 3.325 11.405 2.970 1.00 53.01 C ATOM 0 H ALA A 50 1.122 9.737 2.752 1.00 22.41 H new ATOM 0 HA ALA A 50 3.865 9.519 3.852 1.00 4.21 H new ATOM 0 HB1 ALA A 50 4.007 11.989 3.588 1.00 53.01 H new ATOM 0 HB2 ALA A 50 3.806 11.169 2.021 1.00 53.01 H new ATOM 0 HB3 ALA A 50 2.420 11.983 2.784 1.00 53.01 H new ATOM 802 N ASP A 51 3.188 10.237 6.109 1.00 1.33 N ATOM 803 CA ASP A 51 2.801 10.567 7.481 1.00 44.15 C ATOM 804 C ASP A 51 3.861 11.472 8.137 1.00 71.43 C ATOM 805 O ASP A 51 4.993 11.571 7.654 1.00 3.12 O ATOM 806 CB ASP A 51 2.598 9.281 8.294 1.00 11.44 C ATOM 807 CG ASP A 51 2.335 9.563 9.764 1.00 53.34 C ATOM 808 OD1 ASP A 51 1.283 10.156 10.081 1.00 54.21 O ATOM 809 OD2 ASP A 51 3.195 9.226 10.599 1.00 2.31 O ATOM 0 H ASP A 51 4.132 9.861 6.024 1.00 1.33 H new ATOM 0 HA ASP A 51 1.858 11.114 7.460 1.00 44.15 H new ATOM 0 HB2 ASP A 51 1.761 8.720 7.879 1.00 11.44 H new ATOM 0 HB3 ASP A 51 3.482 8.651 8.200 1.00 11.44 H new ATOM 814 N ASP A 52 3.491 12.126 9.237 1.00 13.42 N ATOM 815 CA ASP A 52 4.386 13.063 9.929 1.00 45.35 C ATOM 816 C ASP A 52 5.638 12.370 10.501 1.00 62.20 C ATOM 817 O ASP A 52 6.578 13.037 10.944 1.00 54.03 O ATOM 818 CB ASP A 52 3.618 13.779 11.043 1.00 23.12 C ATOM 819 CG ASP A 52 2.352 14.428 10.515 1.00 14.14 C ATOM 820 OD1 ASP A 52 2.458 15.357 9.688 1.00 72.55 O ATOM 821 OD2 ASP A 52 1.247 13.984 10.886 1.00 52.34 O ATOM 0 H ASP A 52 2.574 12.026 9.673 1.00 13.42 H new ATOM 0 HA ASP A 52 4.735 13.788 9.194 1.00 45.35 H new ATOM 0 HB2 ASP A 52 3.363 13.066 11.827 1.00 23.12 H new ATOM 0 HB3 ASP A 52 4.256 14.538 11.497 1.00 23.12 H new ATOM 826 N THR A 53 5.649 11.037 10.507 1.00 4.23 N ATOM 827 CA THR A 53 6.834 10.275 10.928 1.00 32.22 C ATOM 828 C THR A 53 7.712 9.877 9.726 1.00 70.42 C ATOM 829 O THR A 53 8.915 9.659 9.876 1.00 3.23 O ATOM 830 CB THR A 53 6.452 8.991 11.704 1.00 33.41 C ATOM 831 OG1 THR A 53 5.810 8.052 10.828 1.00 54.54 O ATOM 832 CG2 THR A 53 5.533 9.305 12.881 1.00 64.11 C ATOM 0 H THR A 53 4.856 10.460 10.227 1.00 4.23 H new ATOM 0 HA THR A 53 7.396 10.938 11.586 1.00 32.22 H new ATOM 0 HB THR A 53 7.372 8.554 12.094 1.00 33.41 H new ATOM 0 HG1 THR A 53 5.346 7.373 11.360 1.00 54.54 H new ATOM 0 HG21 THR A 53 5.284 8.382 13.404 1.00 64.11 H new ATOM 0 HG22 THR A 53 6.039 9.985 13.566 1.00 64.11 H new ATOM 0 HG23 THR A 53 4.619 9.772 12.514 1.00 64.11 H new ATOM 840 N GLY A 54 7.114 9.802 8.534 1.00 52.05 N ATOM 841 CA GLY A 54 7.850 9.356 7.350 1.00 21.30 C ATOM 842 C GLY A 54 6.949 9.035 6.156 1.00 14.42 C ATOM 843 O GLY A 54 5.728 8.975 6.290 1.00 35.14 O ATOM 0 H GLY A 54 6.137 10.041 8.365 1.00 52.05 H new ATOM 0 HA2 GLY A 54 8.561 10.130 7.061 1.00 21.30 H new ATOM 0 HA3 GLY A 54 8.431 8.470 7.605 1.00 21.30 H new ATOM 847 N GLU A 55 7.554 8.858 4.979 1.00 55.25 N ATOM 848 CA GLU A 55 6.808 8.514 3.757 1.00 34.13 C ATOM 849 C GLU A 55 7.017 7.033 3.372 1.00 42.32 C ATOM 850 O GLU A 55 8.082 6.462 3.618 1.00 32.15 O ATOM 851 CB GLU A 55 7.248 9.425 2.600 1.00 1.44 C ATOM 852 CG GLU A 55 7.116 10.917 2.899 1.00 10.33 C ATOM 853 CD GLU A 55 7.591 11.786 1.745 1.00 44.02 C ATOM 854 OE1 GLU A 55 8.815 11.842 1.503 1.00 75.33 O ATOM 855 OE2 GLU A 55 6.750 12.413 1.071 1.00 33.34 O ATOM 0 H GLU A 55 8.561 8.947 4.842 1.00 55.25 H new ATOM 0 HA GLU A 55 5.747 8.666 3.954 1.00 34.13 H new ATOM 0 HB2 GLU A 55 8.287 9.205 2.353 1.00 1.44 H new ATOM 0 HB3 GLU A 55 6.653 9.188 1.718 1.00 1.44 H new ATOM 0 HG2 GLU A 55 6.074 11.149 3.120 1.00 10.33 H new ATOM 0 HG3 GLU A 55 7.692 11.158 3.792 1.00 10.33 H new ATOM 862 N LEU A 56 6.004 6.422 2.753 1.00 11.22 N ATOM 863 CA LEU A 56 6.043 4.988 2.420 1.00 64.22 C ATOM 864 C LEU A 56 5.370 4.691 1.063 1.00 22.21 C ATOM 865 O LEU A 56 4.395 5.341 0.678 1.00 62.12 O ATOM 866 CB LEU A 56 5.343 4.182 3.529 1.00 65.02 C ATOM 867 CG LEU A 56 5.425 2.652 3.394 1.00 4.14 C ATOM 868 CD1 LEU A 56 6.862 2.175 3.571 1.00 20.32 C ATOM 869 CD2 LEU A 56 4.503 1.965 4.397 1.00 33.24 C ATOM 0 H LEU A 56 5.145 6.894 2.471 1.00 11.22 H new ATOM 0 HA LEU A 56 7.090 4.694 2.343 1.00 64.22 H new ATOM 0 HB2 LEU A 56 5.775 4.467 4.488 1.00 65.02 H new ATOM 0 HB3 LEU A 56 4.292 4.470 3.554 1.00 65.02 H new ATOM 0 HG LEU A 56 5.093 2.382 2.391 1.00 4.14 H new ATOM 0 HD11 LEU A 56 6.900 1.090 3.472 1.00 20.32 H new ATOM 0 HD12 LEU A 56 7.493 2.631 2.808 1.00 20.32 H new ATOM 0 HD13 LEU A 56 7.222 2.462 4.559 1.00 20.32 H new ATOM 0 HD21 LEU A 56 4.580 0.884 4.281 1.00 33.24 H new ATOM 0 HD22 LEU A 56 4.796 2.243 5.410 1.00 33.24 H new ATOM 0 HD23 LEU A 56 3.474 2.277 4.218 1.00 33.24 H new ATOM 881 N ARG A 57 5.899 3.700 0.342 1.00 5.24 N ATOM 882 CA ARG A 57 5.310 3.246 -0.926 1.00 34.34 C ATOM 883 C ARG A 57 4.505 1.946 -0.731 1.00 33.01 C ATOM 884 O ARG A 57 5.075 0.877 -0.517 1.00 20.21 O ATOM 885 CB ARG A 57 6.414 3.030 -1.977 1.00 54.41 C ATOM 886 CG ARG A 57 5.919 2.387 -3.275 1.00 61.24 C ATOM 887 CD ARG A 57 7.038 2.219 -4.298 1.00 63.01 C ATOM 888 NE ARG A 57 7.457 3.494 -4.877 1.00 41.14 N ATOM 889 CZ ARG A 57 8.583 3.681 -5.506 1.00 73.34 C ATOM 890 NH1 ARG A 57 9.461 2.735 -5.595 1.00 33.51 N ATOM 891 NH2 ARG A 57 8.835 4.827 -6.042 1.00 10.30 N ATOM 0 H ARG A 57 6.740 3.192 0.615 1.00 5.24 H new ATOM 0 HA ARG A 57 4.627 4.020 -1.277 1.00 34.34 H new ATOM 0 HB2 ARG A 57 6.872 3.991 -2.211 1.00 54.41 H new ATOM 0 HB3 ARG A 57 7.194 2.402 -1.546 1.00 54.41 H new ATOM 0 HG2 ARG A 57 5.483 1.413 -3.053 1.00 61.24 H new ATOM 0 HG3 ARG A 57 5.127 3.001 -3.703 1.00 61.24 H new ATOM 0 HD2 ARG A 57 7.894 1.740 -3.822 1.00 63.01 H new ATOM 0 HD3 ARG A 57 6.703 1.554 -5.094 1.00 63.01 H new ATOM 0 HE ARG A 57 6.826 4.290 -4.783 1.00 41.14 H new ATOM 0 HH11 ARG A 57 9.277 1.827 -5.169 1.00 33.51 H new ATOM 0 HH12 ARG A 57 10.337 2.898 -6.091 1.00 33.51 H new ATOM 0 HH21 ARG A 57 8.154 5.583 -5.973 1.00 10.30 H new ATOM 0 HH22 ARG A 57 9.715 4.977 -6.535 1.00 10.30 H new ATOM 905 N ALA A 58 3.180 2.049 -0.799 1.00 14.13 N ATOM 906 CA ALA A 58 2.297 0.884 -0.662 1.00 33.10 C ATOM 907 C ALA A 58 2.093 0.169 -2.012 1.00 22.14 C ATOM 908 O ALA A 58 1.628 0.773 -2.980 1.00 52.24 O ATOM 909 CB ALA A 58 0.954 1.317 -0.078 1.00 24.14 C ATOM 0 H ALA A 58 2.688 2.930 -0.949 1.00 14.13 H new ATOM 0 HA ALA A 58 2.772 0.175 0.017 1.00 33.10 H new ATOM 0 HB1 ALA A 58 0.303 0.448 0.021 1.00 24.14 H new ATOM 0 HB2 ALA A 58 1.111 1.766 0.903 1.00 24.14 H new ATOM 0 HB3 ALA A 58 0.487 2.046 -0.740 1.00 24.14 H new ATOM 915 N VAL A 59 2.443 -1.115 -2.066 1.00 60.13 N ATOM 916 CA VAL A 59 2.332 -1.908 -3.297 1.00 42.04 C ATOM 917 C VAL A 59 1.037 -2.741 -3.324 1.00 24.31 C ATOM 918 O VAL A 59 0.902 -3.730 -2.594 1.00 43.05 O ATOM 919 CB VAL A 59 3.550 -2.856 -3.463 1.00 74.12 C ATOM 920 CG1 VAL A 59 3.480 -3.615 -4.790 1.00 42.20 C ATOM 921 CG2 VAL A 59 4.863 -2.079 -3.349 1.00 3.15 C ATOM 0 H VAL A 59 2.809 -1.634 -1.268 1.00 60.13 H new ATOM 0 HA VAL A 59 2.310 -1.199 -4.125 1.00 42.04 H new ATOM 0 HB VAL A 59 3.517 -3.588 -2.656 1.00 74.12 H new ATOM 0 HG11 VAL A 59 4.346 -4.271 -4.880 1.00 42.20 H new ATOM 0 HG12 VAL A 59 2.568 -4.211 -4.821 1.00 42.20 H new ATOM 0 HG13 VAL A 59 3.477 -2.904 -5.616 1.00 42.20 H new ATOM 0 HG21 VAL A 59 5.703 -2.764 -3.468 1.00 3.15 H new ATOM 0 HG22 VAL A 59 4.903 -1.316 -4.127 1.00 3.15 H new ATOM 0 HG23 VAL A 59 4.920 -1.602 -2.370 1.00 3.15 H new ATOM 931 N PHE A 60 0.096 -2.346 -4.176 1.00 22.33 N ATOM 932 CA PHE A 60 -1.184 -3.052 -4.308 1.00 41.32 C ATOM 933 C PHE A 60 -1.126 -4.118 -5.413 1.00 75.13 C ATOM 934 O PHE A 60 -1.129 -3.804 -6.604 1.00 33.23 O ATOM 935 CB PHE A 60 -2.319 -2.056 -4.601 1.00 31.34 C ATOM 936 CG PHE A 60 -2.707 -1.205 -3.416 1.00 25.43 C ATOM 937 CD1 PHE A 60 -1.867 -0.198 -2.961 1.00 54.20 C ATOM 938 CD2 PHE A 60 -3.913 -1.412 -2.760 1.00 12.14 C ATOM 939 CE1 PHE A 60 -2.222 0.582 -1.876 1.00 5.11 C ATOM 940 CE2 PHE A 60 -4.272 -0.634 -1.675 1.00 1.21 C ATOM 941 CZ PHE A 60 -3.424 0.363 -1.233 1.00 72.50 C ATOM 0 H PHE A 60 0.192 -1.537 -4.790 1.00 22.33 H new ATOM 0 HA PHE A 60 -1.383 -3.554 -3.361 1.00 41.32 H new ATOM 0 HB2 PHE A 60 -2.015 -1.404 -5.420 1.00 31.34 H new ATOM 0 HB3 PHE A 60 -3.195 -2.608 -4.942 1.00 31.34 H new ATOM 0 HD1 PHE A 60 -0.926 -0.022 -3.460 1.00 54.20 H new ATOM 0 HD2 PHE A 60 -4.579 -2.191 -3.102 1.00 12.14 H new ATOM 0 HE1 PHE A 60 -1.559 1.362 -1.532 1.00 5.11 H new ATOM 0 HE2 PHE A 60 -5.213 -0.805 -1.174 1.00 1.21 H new ATOM 0 HZ PHE A 60 -3.701 0.971 -0.385 1.00 72.50 H new ATOM 951 N TRP A 61 -1.049 -5.374 -4.997 1.00 13.15 N ATOM 952 CA TRP A 61 -1.063 -6.524 -5.911 1.00 74.12 C ATOM 953 C TRP A 61 -2.495 -6.865 -6.367 1.00 41.23 C ATOM 954 O TRP A 61 -3.464 -6.399 -5.774 1.00 25.41 O ATOM 955 CB TRP A 61 -0.393 -7.732 -5.247 1.00 42.41 C ATOM 956 CG TRP A 61 1.068 -7.515 -4.966 1.00 65.43 C ATOM 957 CD1 TRP A 61 1.631 -7.037 -3.814 1.00 51.14 C ATOM 958 CD2 TRP A 61 2.153 -7.758 -5.870 1.00 31.04 C ATOM 959 NE1 TRP A 61 2.998 -6.975 -3.947 1.00 64.10 N ATOM 960 CE2 TRP A 61 3.341 -7.414 -5.198 1.00 54.53 C ATOM 961 CE3 TRP A 61 2.234 -8.240 -7.180 1.00 64.34 C ATOM 962 CZ2 TRP A 61 4.594 -7.529 -5.796 1.00 62.34 C ATOM 963 CZ3 TRP A 61 3.478 -8.353 -7.772 1.00 32.21 C ATOM 964 CH2 TRP A 61 4.644 -8.003 -7.079 1.00 22.51 C ATOM 0 H TRP A 61 -0.975 -5.633 -4.013 1.00 13.15 H new ATOM 0 HA TRP A 61 -0.496 -6.258 -6.803 1.00 74.12 H new ATOM 0 HB2 TRP A 61 -0.907 -7.957 -4.313 1.00 42.41 H new ATOM 0 HB3 TRP A 61 -0.507 -8.603 -5.892 1.00 42.41 H new ATOM 0 HD1 TRP A 61 1.082 -6.750 -2.929 1.00 51.14 H new ATOM 0 HE1 TRP A 61 3.650 -6.654 -3.231 1.00 64.10 H new ATOM 0 HE3 TRP A 61 1.341 -8.519 -7.719 1.00 64.34 H new ATOM 0 HZ2 TRP A 61 5.494 -7.254 -5.266 1.00 62.34 H new ATOM 0 HZ3 TRP A 61 3.552 -8.717 -8.786 1.00 32.21 H new ATOM 0 HH2 TRP A 61 5.602 -8.109 -7.567 1.00 22.51 H new ATOM 975 N THR A 62 -2.611 -7.645 -7.448 1.00 3.52 N ATOM 976 CA THR A 62 -3.916 -7.963 -8.080 1.00 71.34 C ATOM 977 C THR A 62 -5.069 -8.184 -7.080 1.00 22.32 C ATOM 978 O THR A 62 -6.152 -7.620 -7.252 1.00 32.22 O ATOM 979 CB THR A 62 -3.823 -9.205 -9.002 1.00 23.00 C ATOM 980 OG1 THR A 62 -5.122 -9.544 -9.516 1.00 31.31 O ATOM 981 CG2 THR A 62 -3.233 -10.408 -8.272 1.00 61.23 C ATOM 0 H THR A 62 -1.813 -8.076 -7.914 1.00 3.52 H new ATOM 0 HA THR A 62 -4.149 -7.073 -8.664 1.00 71.34 H new ATOM 0 HB THR A 62 -3.158 -8.948 -9.827 1.00 23.00 H new ATOM 0 HG1 THR A 62 -5.049 -10.329 -10.098 1.00 31.31 H new ATOM 0 HG21 THR A 62 -3.184 -11.258 -8.952 1.00 61.23 H new ATOM 0 HG22 THR A 62 -2.230 -10.165 -7.922 1.00 61.23 H new ATOM 0 HG23 THR A 62 -3.863 -10.661 -7.419 1.00 61.23 H new ATOM 989 N GLU A 63 -4.848 -8.989 -6.039 1.00 52.40 N ATOM 990 CA GLU A 63 -5.896 -9.254 -5.037 1.00 13.35 C ATOM 991 C GLU A 63 -6.321 -7.973 -4.294 1.00 21.01 C ATOM 992 O GLU A 63 -7.473 -7.827 -3.890 1.00 25.52 O ATOM 993 CB GLU A 63 -5.413 -10.309 -4.028 1.00 65.14 C ATOM 994 CG GLU A 63 -5.291 -11.720 -4.606 1.00 52.42 C ATOM 995 CD GLU A 63 -6.636 -12.307 -5.009 1.00 64.35 C ATOM 996 OE1 GLU A 63 -7.431 -12.655 -4.108 1.00 51.22 O ATOM 997 OE2 GLU A 63 -6.918 -12.400 -6.226 1.00 13.30 O ATOM 0 H GLU A 63 -3.964 -9.467 -5.864 1.00 52.40 H new ATOM 0 HA GLU A 63 -6.768 -9.632 -5.571 1.00 13.35 H new ATOM 0 HB2 GLU A 63 -4.443 -10.004 -3.637 1.00 65.14 H new ATOM 0 HB3 GLU A 63 -6.104 -10.332 -3.185 1.00 65.14 H new ATOM 0 HG2 GLU A 63 -4.634 -11.697 -5.475 1.00 52.42 H new ATOM 0 HG3 GLU A 63 -4.821 -12.371 -3.869 1.00 52.42 H new ATOM 1004 N ASN A 64 -5.384 -7.046 -4.129 1.00 63.25 N ATOM 1005 CA ASN A 64 -5.639 -5.800 -3.399 1.00 53.33 C ATOM 1006 C ASN A 64 -6.049 -4.637 -4.326 1.00 74.22 C ATOM 1007 O ASN A 64 -6.397 -3.557 -3.850 1.00 22.24 O ATOM 1008 CB ASN A 64 -4.395 -5.412 -2.598 1.00 32.11 C ATOM 1009 CG ASN A 64 -3.953 -6.524 -1.666 1.00 65.34 C ATOM 1010 OD1 ASN A 64 -3.112 -7.349 -2.014 1.00 53.54 O ATOM 1011 ND2 ASN A 64 -4.528 -6.571 -0.483 1.00 73.23 N ATOM 0 H ASN A 64 -4.434 -7.131 -4.492 1.00 63.25 H new ATOM 0 HA ASN A 64 -6.479 -5.984 -2.729 1.00 53.33 H new ATOM 0 HB2 ASN A 64 -3.583 -5.169 -3.283 1.00 32.11 H new ATOM 0 HB3 ASN A 64 -4.603 -4.513 -2.018 1.00 32.11 H new ATOM 0 HD21 ASN A 64 -4.279 -7.308 0.176 1.00 73.23 H new ATOM 0 HD22 ASN A 64 -5.223 -5.870 -0.225 1.00 73.23 H new ATOM 1018 N ILE A 65 -6.010 -4.852 -5.642 1.00 31.13 N ATOM 1019 CA ILE A 65 -6.439 -3.821 -6.604 1.00 41.45 C ATOM 1020 C ILE A 65 -7.892 -3.378 -6.343 1.00 2.40 C ATOM 1021 O ILE A 65 -8.234 -2.204 -6.500 1.00 13.34 O ATOM 1022 CB ILE A 65 -6.299 -4.318 -8.070 1.00 54.24 C ATOM 1023 CG1 ILE A 65 -4.823 -4.588 -8.414 1.00 73.50 C ATOM 1024 CG2 ILE A 65 -6.904 -3.314 -9.055 1.00 34.00 C ATOM 1025 CD1 ILE A 65 -3.933 -3.365 -8.326 1.00 74.14 C ATOM 0 H ILE A 65 -5.690 -5.721 -6.069 1.00 31.13 H new ATOM 0 HA ILE A 65 -5.781 -2.964 -6.462 1.00 41.45 H new ATOM 0 HB ILE A 65 -6.852 -5.253 -8.159 1.00 54.24 H new ATOM 0 HG12 ILE A 65 -4.438 -5.353 -7.740 1.00 73.50 H new ATOM 0 HG13 ILE A 65 -4.765 -4.994 -9.424 1.00 73.50 H new ATOM 0 HG21 ILE A 65 -6.791 -3.689 -10.072 1.00 34.00 H new ATOM 0 HG22 ILE A 65 -7.963 -3.180 -8.833 1.00 34.00 H new ATOM 0 HG23 ILE A 65 -6.390 -2.358 -8.962 1.00 34.00 H new ATOM 0 HD11 ILE A 65 -2.910 -3.640 -8.583 1.00 74.14 H new ATOM 0 HD12 ILE A 65 -4.290 -2.605 -9.021 1.00 74.14 H new ATOM 0 HD13 ILE A 65 -3.958 -2.969 -7.311 1.00 74.14 H new ATOM 1037 N LYS A 66 -8.735 -4.321 -5.923 1.00 23.51 N ATOM 1038 CA LYS A 66 -10.137 -4.031 -5.580 1.00 61.53 C ATOM 1039 C LYS A 66 -10.265 -2.995 -4.444 1.00 51.11 C ATOM 1040 O LYS A 66 -11.341 -2.440 -4.220 1.00 14.22 O ATOM 1041 CB LYS A 66 -10.859 -5.324 -5.184 1.00 34.13 C ATOM 1042 CG LYS A 66 -10.247 -6.036 -3.979 1.00 12.34 C ATOM 1043 CD LYS A 66 -10.974 -7.341 -3.669 1.00 60.41 C ATOM 1044 CE LYS A 66 -10.322 -8.100 -2.516 1.00 4.31 C ATOM 1045 NZ LYS A 66 -10.370 -7.343 -1.235 1.00 52.22 N ATOM 0 H LYS A 66 -8.474 -5.300 -5.810 1.00 23.51 H new ATOM 0 HA LYS A 66 -10.601 -3.601 -6.468 1.00 61.53 H new ATOM 0 HB2 LYS A 66 -11.901 -5.093 -4.965 1.00 34.13 H new ATOM 0 HB3 LYS A 66 -10.855 -6.005 -6.035 1.00 34.13 H new ATOM 0 HG2 LYS A 66 -9.195 -6.242 -4.174 1.00 12.34 H new ATOM 0 HG3 LYS A 66 -10.288 -5.381 -3.109 1.00 12.34 H new ATOM 0 HD2 LYS A 66 -12.013 -7.126 -3.420 1.00 60.41 H new ATOM 0 HD3 LYS A 66 -10.983 -7.971 -4.558 1.00 60.41 H new ATOM 0 HE2 LYS A 66 -10.824 -9.059 -2.387 1.00 4.31 H new ATOM 0 HE3 LYS A 66 -9.284 -8.315 -2.768 1.00 4.31 H new ATOM 0 HZ1 LYS A 66 -10.007 -7.941 -0.465 1.00 52.22 H new ATOM 0 HZ2 LYS A 66 -9.784 -6.488 -1.315 1.00 52.22 H new ATOM 0 HZ3 LYS A 66 -11.352 -7.071 -1.029 1.00 52.22 H new ATOM 1059 N LEU A 67 -9.176 -2.754 -3.719 1.00 3.54 N ATOM 1060 CA LEU A 67 -9.177 -1.793 -2.608 1.00 70.03 C ATOM 1061 C LEU A 67 -9.012 -0.342 -3.101 1.00 13.44 C ATOM 1062 O LEU A 67 -9.390 0.603 -2.405 1.00 41.34 O ATOM 1063 CB LEU A 67 -8.054 -2.139 -1.621 1.00 41.51 C ATOM 1064 CG LEU A 67 -8.115 -3.557 -1.026 1.00 52.31 C ATOM 1065 CD1 LEU A 67 -6.938 -3.802 -0.086 1.00 72.00 C ATOM 1066 CD2 LEU A 67 -9.442 -3.786 -0.305 1.00 4.42 C ATOM 0 H LEU A 67 -8.277 -3.210 -3.878 1.00 3.54 H new ATOM 0 HA LEU A 67 -10.144 -1.864 -2.109 1.00 70.03 H new ATOM 0 HB2 LEU A 67 -7.097 -2.016 -2.128 1.00 41.51 H new ATOM 0 HB3 LEU A 67 -8.076 -1.418 -0.803 1.00 41.51 H new ATOM 0 HG LEU A 67 -8.047 -4.272 -1.846 1.00 52.31 H new ATOM 0 HD11 LEU A 67 -7.002 -4.811 0.322 1.00 72.00 H new ATOM 0 HD12 LEU A 67 -6.004 -3.692 -0.637 1.00 72.00 H new ATOM 0 HD13 LEU A 67 -6.966 -3.078 0.729 1.00 72.00 H new ATOM 0 HD21 LEU A 67 -9.463 -4.795 0.107 1.00 4.42 H new ATOM 0 HD22 LEU A 67 -9.547 -3.062 0.503 1.00 4.42 H new ATOM 0 HD23 LEU A 67 -10.265 -3.665 -1.010 1.00 4.42 H new ATOM 1078 N LEU A 68 -8.472 -0.175 -4.310 1.00 71.43 N ATOM 1079 CA LEU A 68 -8.183 1.161 -4.867 1.00 31.11 C ATOM 1080 C LEU A 68 -9.452 2.011 -5.064 1.00 30.41 C ATOM 1081 O LEU A 68 -9.378 3.235 -5.156 1.00 44.11 O ATOM 1082 CB LEU A 68 -7.438 1.024 -6.204 1.00 41.02 C ATOM 1083 CG LEU A 68 -6.057 0.348 -6.124 1.00 24.14 C ATOM 1084 CD1 LEU A 68 -5.445 0.201 -7.517 1.00 71.14 C ATOM 1085 CD2 LEU A 68 -5.121 1.132 -5.205 1.00 34.24 C ATOM 0 H LEU A 68 -8.223 -0.947 -4.929 1.00 71.43 H new ATOM 0 HA LEU A 68 -7.557 1.679 -4.141 1.00 31.11 H new ATOM 0 HB2 LEU A 68 -8.063 0.455 -6.892 1.00 41.02 H new ATOM 0 HB3 LEU A 68 -7.313 2.018 -6.634 1.00 41.02 H new ATOM 0 HG LEU A 68 -6.192 -0.648 -5.703 1.00 24.14 H new ATOM 0 HD11 LEU A 68 -4.470 -0.279 -7.437 1.00 71.14 H new ATOM 0 HD12 LEU A 68 -6.100 -0.409 -8.140 1.00 71.14 H new ATOM 0 HD13 LEU A 68 -5.329 1.186 -7.969 1.00 71.14 H new ATOM 0 HD21 LEU A 68 -4.151 0.636 -5.164 1.00 34.24 H new ATOM 0 HD22 LEU A 68 -4.995 2.143 -5.591 1.00 34.24 H new ATOM 0 HD23 LEU A 68 -5.548 1.177 -4.203 1.00 34.24 H new ATOM 1097 N LYS A 69 -10.609 1.360 -5.136 1.00 23.23 N ATOM 1098 CA LYS A 69 -11.888 2.064 -5.317 1.00 4.43 C ATOM 1099 C LYS A 69 -12.384 2.717 -4.011 1.00 33.34 C ATOM 1100 O LYS A 69 -13.231 3.613 -4.036 1.00 54.11 O ATOM 1101 CB LYS A 69 -12.949 1.089 -5.845 1.00 24.33 C ATOM 1102 CG LYS A 69 -13.227 -0.084 -4.909 1.00 71.52 C ATOM 1103 CD LYS A 69 -14.204 -1.101 -5.507 1.00 50.22 C ATOM 1104 CE LYS A 69 -13.594 -1.898 -6.665 1.00 11.32 C ATOM 1105 NZ LYS A 69 -13.383 -1.074 -7.887 1.00 21.24 N ATOM 0 H LYS A 69 -10.694 0.346 -5.072 1.00 23.23 H new ATOM 0 HA LYS A 69 -11.722 2.862 -6.041 1.00 4.43 H new ATOM 0 HB2 LYS A 69 -13.877 1.634 -6.015 1.00 24.33 H new ATOM 0 HB3 LYS A 69 -12.625 0.702 -6.811 1.00 24.33 H new ATOM 0 HG2 LYS A 69 -12.288 -0.585 -4.672 1.00 71.52 H new ATOM 0 HG3 LYS A 69 -13.632 0.294 -3.970 1.00 71.52 H new ATOM 0 HD2 LYS A 69 -14.526 -1.791 -4.727 1.00 50.22 H new ATOM 0 HD3 LYS A 69 -15.094 -0.580 -5.859 1.00 50.22 H new ATOM 0 HE2 LYS A 69 -12.640 -2.319 -6.347 1.00 11.32 H new ATOM 0 HE3 LYS A 69 -14.247 -2.736 -6.906 1.00 11.32 H new ATOM 0 HZ1 LYS A 69 -13.616 -1.637 -8.730 1.00 21.24 H new ATOM 0 HZ2 LYS A 69 -13.997 -0.235 -7.850 1.00 21.24 H new ATOM 0 HZ3 LYS A 69 -12.389 -0.774 -7.936 1.00 21.24 H new ATOM 1119 N LYS A 70 -11.852 2.268 -2.872 1.00 44.43 N ATOM 1120 CA LYS A 70 -12.289 2.770 -1.560 1.00 30.54 C ATOM 1121 C LYS A 70 -11.730 4.172 -1.262 1.00 25.10 C ATOM 1122 O LYS A 70 -12.375 4.983 -0.593 1.00 24.21 O ATOM 1123 CB LYS A 70 -11.864 1.800 -0.450 1.00 65.41 C ATOM 1124 CG LYS A 70 -12.408 0.384 -0.630 1.00 52.43 C ATOM 1125 CD LYS A 70 -12.091 -0.506 0.571 1.00 65.51 C ATOM 1126 CE LYS A 70 -12.750 0.016 1.845 1.00 52.41 C ATOM 1127 NZ LYS A 70 -12.507 -0.876 3.008 1.00 21.45 N ATOM 0 H LYS A 70 -11.120 1.560 -2.828 1.00 44.43 H new ATOM 0 HA LYS A 70 -13.376 2.842 -1.589 1.00 30.54 H new ATOM 0 HB2 LYS A 70 -10.775 1.759 -0.412 1.00 65.41 H new ATOM 0 HB3 LYS A 70 -12.202 2.190 0.510 1.00 65.41 H new ATOM 0 HG2 LYS A 70 -13.487 0.426 -0.776 1.00 52.43 H new ATOM 0 HG3 LYS A 70 -11.981 -0.057 -1.531 1.00 52.43 H new ATOM 0 HD2 LYS A 70 -12.434 -1.522 0.373 1.00 65.51 H new ATOM 0 HD3 LYS A 70 -11.011 -0.556 0.713 1.00 65.51 H new ATOM 0 HE2 LYS A 70 -12.368 1.012 2.067 1.00 52.41 H new ATOM 0 HE3 LYS A 70 -13.823 0.115 1.683 1.00 52.41 H new ATOM 0 HZ1 LYS A 70 -13.277 -0.764 3.698 1.00 21.45 H new ATOM 0 HZ2 LYS A 70 -12.472 -1.864 2.686 1.00 21.45 H new ATOM 0 HZ3 LYS A 70 -11.602 -0.625 3.455 1.00 21.45 H new ATOM 1141 N PHE A 71 -10.532 4.451 -1.765 1.00 42.32 N ATOM 1142 CA PHE A 71 -9.871 5.738 -1.522 1.00 13.14 C ATOM 1143 C PHE A 71 -9.383 6.380 -2.827 1.00 24.14 C ATOM 1144 O PHE A 71 -9.289 5.724 -3.864 1.00 74.30 O ATOM 1145 CB PHE A 71 -8.690 5.552 -0.559 1.00 21.24 C ATOM 1146 CG PHE A 71 -7.626 4.613 -1.076 1.00 75.34 C ATOM 1147 CD1 PHE A 71 -7.750 3.240 -0.907 1.00 32.44 C ATOM 1148 CD2 PHE A 71 -6.501 5.101 -1.728 1.00 72.33 C ATOM 1149 CE1 PHE A 71 -6.779 2.378 -1.375 1.00 53.40 C ATOM 1150 CE2 PHE A 71 -5.527 4.243 -2.198 1.00 63.42 C ATOM 1151 CZ PHE A 71 -5.666 2.881 -2.022 1.00 51.03 C ATOM 0 H PHE A 71 -9.995 3.806 -2.344 1.00 42.32 H new ATOM 0 HA PHE A 71 -10.605 6.407 -1.073 1.00 13.14 H new ATOM 0 HB2 PHE A 71 -8.239 6.524 -0.360 1.00 21.24 H new ATOM 0 HB3 PHE A 71 -9.065 5.174 0.392 1.00 21.24 H new ATOM 0 HD1 PHE A 71 -8.618 2.842 -0.403 1.00 32.44 H new ATOM 0 HD2 PHE A 71 -6.387 6.166 -1.869 1.00 72.33 H new ATOM 0 HE1 PHE A 71 -6.889 1.313 -1.236 1.00 53.40 H new ATOM 0 HE2 PHE A 71 -4.657 4.637 -2.703 1.00 63.42 H new ATOM 0 HZ PHE A 71 -4.905 2.208 -2.390 1.00 51.03 H new ATOM 1161 N ARG A 72 -9.070 7.669 -2.765 1.00 62.32 N ATOM 1162 CA ARG A 72 -8.555 8.407 -3.924 1.00 30.01 C ATOM 1163 C ARG A 72 -7.333 9.254 -3.530 1.00 12.15 C ATOM 1164 O ARG A 72 -7.026 9.398 -2.342 1.00 22.51 O ATOM 1165 CB ARG A 72 -9.662 9.293 -4.525 1.00 54.35 C ATOM 1166 CG ARG A 72 -10.839 8.502 -5.096 1.00 2.14 C ATOM 1167 CD ARG A 72 -11.910 9.408 -5.691 1.00 14.42 C ATOM 1168 NE ARG A 72 -12.998 8.644 -6.303 1.00 20.22 N ATOM 1169 CZ ARG A 72 -13.971 9.174 -6.992 1.00 44.01 C ATOM 1170 NH1 ARG A 72 -14.057 10.458 -7.130 1.00 22.55 N ATOM 1171 NH2 ARG A 72 -14.875 8.422 -7.532 1.00 63.32 N ATOM 0 H ARG A 72 -9.163 8.233 -1.920 1.00 62.32 H new ATOM 0 HA ARG A 72 -8.238 7.689 -4.680 1.00 30.01 H new ATOM 0 HB2 ARG A 72 -10.031 9.971 -3.755 1.00 54.35 H new ATOM 0 HB3 ARG A 72 -9.233 9.910 -5.315 1.00 54.35 H new ATOM 0 HG2 ARG A 72 -10.476 7.819 -5.864 1.00 2.14 H new ATOM 0 HG3 ARG A 72 -11.280 7.891 -4.308 1.00 2.14 H new ATOM 0 HD2 ARG A 72 -12.314 10.052 -4.910 1.00 14.42 H new ATOM 0 HD3 ARG A 72 -11.459 10.059 -6.440 1.00 14.42 H new ATOM 0 HE ARG A 72 -12.995 7.631 -6.183 1.00 20.22 H new ATOM 0 HH11 ARG A 72 -13.360 11.065 -6.698 1.00 22.55 H new ATOM 0 HH12 ARG A 72 -14.821 10.863 -7.671 1.00 22.55 H new ATOM 0 HH21 ARG A 72 -14.829 7.409 -7.420 1.00 63.32 H new ATOM 0 HH22 ARG A 72 -15.633 8.842 -8.070 1.00 63.32 H new ATOM 1185 N GLU A 73 -6.632 9.810 -4.523 1.00 31.13 N ATOM 1186 CA GLU A 73 -5.422 10.597 -4.256 1.00 41.43 C ATOM 1187 C GLU A 73 -5.763 11.844 -3.423 1.00 21.21 C ATOM 1188 O GLU A 73 -6.278 12.838 -3.941 1.00 11.32 O ATOM 1189 CB GLU A 73 -4.719 10.997 -5.569 1.00 51.23 C ATOM 1190 CG GLU A 73 -3.307 11.540 -5.361 1.00 51.43 C ATOM 1191 CD GLU A 73 -2.635 11.981 -6.655 1.00 10.12 C ATOM 1192 OE1 GLU A 73 -2.015 11.131 -7.337 1.00 23.13 O ATOM 1193 OE2 GLU A 73 -2.715 13.183 -6.989 1.00 13.53 O ATOM 0 H GLU A 73 -6.877 9.732 -5.510 1.00 31.13 H new ATOM 0 HA GLU A 73 -4.734 9.975 -3.683 1.00 41.43 H new ATOM 0 HB2 GLU A 73 -4.673 10.129 -6.227 1.00 51.23 H new ATOM 0 HB3 GLU A 73 -5.319 11.751 -6.078 1.00 51.23 H new ATOM 0 HG2 GLU A 73 -3.348 12.386 -4.674 1.00 51.43 H new ATOM 0 HG3 GLU A 73 -2.696 10.772 -4.886 1.00 51.43 H new ATOM 1200 N GLY A 74 -5.502 11.764 -2.120 1.00 3.34 N ATOM 1201 CA GLY A 74 -5.865 12.840 -1.204 1.00 71.42 C ATOM 1202 C GLY A 74 -6.341 12.322 0.151 1.00 65.22 C ATOM 1203 O GLY A 74 -6.094 12.948 1.185 1.00 61.15 O ATOM 0 H GLY A 74 -5.042 10.968 -1.677 1.00 3.34 H new ATOM 0 HA2 GLY A 74 -5.005 13.493 -1.057 1.00 71.42 H new ATOM 0 HA3 GLY A 74 -6.652 13.445 -1.654 1.00 71.42 H new ATOM 1207 N ASP A 75 -7.015 11.168 0.150 1.00 23.04 N ATOM 1208 CA ASP A 75 -7.517 10.560 1.391 1.00 33.23 C ATOM 1209 C ASP A 75 -6.377 10.001 2.260 1.00 14.13 C ATOM 1210 O ASP A 75 -5.202 10.064 1.897 1.00 20.21 O ATOM 1211 CB ASP A 75 -8.513 9.431 1.079 1.00 74.14 C ATOM 1212 CG ASP A 75 -9.769 9.914 0.377 1.00 54.50 C ATOM 1213 OD1 ASP A 75 -10.354 10.925 0.821 1.00 35.05 O ATOM 1214 OD2 ASP A 75 -10.201 9.262 -0.597 1.00 72.15 O ATOM 0 H ASP A 75 -7.227 10.635 -0.694 1.00 23.04 H new ATOM 0 HA ASP A 75 -8.019 11.351 1.948 1.00 33.23 H new ATOM 0 HB2 ASP A 75 -8.021 8.684 0.455 1.00 74.14 H new ATOM 0 HB3 ASP A 75 -8.793 8.936 2.009 1.00 74.14 H new ATOM 1219 N VAL A 76 -6.742 9.459 3.418 1.00 11.41 N ATOM 1220 CA VAL A 76 -5.791 8.786 4.310 1.00 10.44 C ATOM 1221 C VAL A 76 -6.239 7.341 4.546 1.00 54.22 C ATOM 1222 O VAL A 76 -7.427 7.088 4.730 1.00 34.12 O ATOM 1223 CB VAL A 76 -5.685 9.520 5.669 1.00 34.02 C ATOM 1224 CG1 VAL A 76 -4.594 8.908 6.548 1.00 54.44 C ATOM 1225 CG2 VAL A 76 -5.451 11.015 5.451 1.00 43.33 C ATOM 0 H VAL A 76 -7.700 9.471 3.767 1.00 11.41 H new ATOM 0 HA VAL A 76 -4.811 8.798 3.833 1.00 10.44 H new ATOM 0 HB VAL A 76 -6.631 9.397 6.197 1.00 34.02 H new ATOM 0 HG11 VAL A 76 -4.545 9.446 7.495 1.00 54.44 H new ATOM 0 HG12 VAL A 76 -4.825 7.860 6.738 1.00 54.44 H new ATOM 0 HG13 VAL A 76 -3.633 8.981 6.039 1.00 54.44 H new ATOM 0 HG21 VAL A 76 -5.379 11.517 6.416 1.00 43.33 H new ATOM 0 HG22 VAL A 76 -4.524 11.161 4.896 1.00 43.33 H new ATOM 0 HG23 VAL A 76 -6.283 11.435 4.885 1.00 43.33 H new ATOM 1235 N ILE A 77 -5.310 6.389 4.535 1.00 20.22 N ATOM 1236 CA ILE A 77 -5.683 4.973 4.651 1.00 31.41 C ATOM 1237 C ILE A 77 -4.809 4.199 5.650 1.00 50.43 C ATOM 1238 O ILE A 77 -3.616 4.476 5.808 1.00 41.22 O ATOM 1239 CB ILE A 77 -5.622 4.258 3.275 1.00 1.44 C ATOM 1240 CG1 ILE A 77 -4.210 4.365 2.668 1.00 32.42 C ATOM 1241 CG2 ILE A 77 -6.670 4.835 2.323 1.00 11.43 C ATOM 1242 CD1 ILE A 77 -4.046 3.634 1.350 1.00 42.24 C ATOM 0 H ILE A 77 -4.309 6.562 4.449 1.00 20.22 H new ATOM 0 HA ILE A 77 -6.707 4.974 5.026 1.00 31.41 H new ATOM 0 HB ILE A 77 -5.845 3.202 3.426 1.00 1.44 H new ATOM 0 HG12 ILE A 77 -3.969 5.418 2.520 1.00 32.42 H new ATOM 0 HG13 ILE A 77 -3.488 3.970 3.383 1.00 32.42 H new ATOM 0 HG21 ILE A 77 -6.612 4.321 1.363 1.00 11.43 H new ATOM 0 HG22 ILE A 77 -7.664 4.697 2.749 1.00 11.43 H new ATOM 0 HG23 ILE A 77 -6.482 5.899 2.177 1.00 11.43 H new ATOM 0 HD11 ILE A 77 -3.025 3.758 0.990 1.00 42.24 H new ATOM 0 HD12 ILE A 77 -4.254 2.574 1.494 1.00 42.24 H new ATOM 0 HD13 ILE A 77 -4.742 4.044 0.618 1.00 42.24 H new ATOM 1254 N ARG A 78 -5.427 3.234 6.331 1.00 75.21 N ATOM 1255 CA ARG A 78 -4.708 2.276 7.173 1.00 51.21 C ATOM 1256 C ARG A 78 -4.779 0.875 6.556 1.00 50.24 C ATOM 1257 O ARG A 78 -5.852 0.273 6.478 1.00 50.01 O ATOM 1258 CB ARG A 78 -5.285 2.250 8.599 1.00 21.23 C ATOM 1259 CG ARG A 78 -4.563 1.273 9.527 1.00 54.54 C ATOM 1260 CD ARG A 78 -5.060 1.357 10.970 1.00 53.21 C ATOM 1261 NE ARG A 78 -6.435 0.874 11.132 1.00 74.33 N ATOM 1262 CZ ARG A 78 -6.996 0.644 12.292 1.00 0.44 C ATOM 1263 NH1 ARG A 78 -6.339 0.844 13.393 1.00 41.15 N ATOM 1264 NH2 ARG A 78 -8.219 0.218 12.348 1.00 43.54 N ATOM 0 H ARG A 78 -6.437 3.094 6.315 1.00 75.21 H new ATOM 0 HA ARG A 78 -3.666 2.592 7.231 1.00 51.21 H new ATOM 0 HB2 ARG A 78 -5.229 3.252 9.024 1.00 21.23 H new ATOM 0 HB3 ARG A 78 -6.340 1.982 8.551 1.00 21.23 H new ATOM 0 HG2 ARG A 78 -4.701 0.257 9.157 1.00 54.54 H new ATOM 0 HG3 ARG A 78 -3.493 1.478 9.503 1.00 54.54 H new ATOM 0 HD2 ARG A 78 -4.398 0.774 11.611 1.00 53.21 H new ATOM 0 HD3 ARG A 78 -5.002 2.391 11.309 1.00 53.21 H new ATOM 0 HE ARG A 78 -6.987 0.707 10.291 1.00 74.33 H new ATOM 0 HH11 ARG A 78 -5.378 1.183 13.359 1.00 41.15 H new ATOM 0 HH12 ARG A 78 -6.784 0.662 14.293 1.00 41.15 H new ATOM 0 HH21 ARG A 78 -8.745 0.062 11.488 1.00 43.54 H new ATOM 0 HH22 ARG A 78 -8.656 0.039 13.252 1.00 43.54 H new ATOM 1278 N ILE A 79 -3.636 0.372 6.103 1.00 32.53 N ATOM 1279 CA ILE A 79 -3.555 -0.963 5.509 1.00 13.43 C ATOM 1280 C ILE A 79 -3.149 -2.001 6.566 1.00 55.51 C ATOM 1281 O ILE A 79 -2.147 -1.829 7.262 1.00 31.13 O ATOM 1282 CB ILE A 79 -2.534 -0.997 4.346 1.00 12.11 C ATOM 1283 CG1 ILE A 79 -2.796 0.155 3.358 1.00 2.41 C ATOM 1284 CG2 ILE A 79 -2.594 -2.347 3.631 1.00 40.13 C ATOM 1285 CD1 ILE A 79 -1.802 0.223 2.219 1.00 44.51 C ATOM 0 H ILE A 79 -2.746 0.870 6.135 1.00 32.53 H new ATOM 0 HA ILE A 79 -4.543 -1.207 5.119 1.00 13.43 H new ATOM 0 HB ILE A 79 -1.533 -0.867 4.758 1.00 12.11 H new ATOM 0 HG12 ILE A 79 -3.799 0.046 2.946 1.00 2.41 H new ATOM 0 HG13 ILE A 79 -2.776 1.099 3.902 1.00 2.41 H new ATOM 0 HG21 ILE A 79 -1.871 -2.359 2.815 1.00 40.13 H new ATOM 0 HG22 ILE A 79 -2.358 -3.143 4.337 1.00 40.13 H new ATOM 0 HG23 ILE A 79 -3.596 -2.503 3.231 1.00 40.13 H new ATOM 0 HD11 ILE A 79 -2.053 1.059 1.567 1.00 44.51 H new ATOM 0 HD12 ILE A 79 -0.798 0.364 2.620 1.00 44.51 H new ATOM 0 HD13 ILE A 79 -1.838 -0.705 1.649 1.00 44.51 H new ATOM 1297 N LYS A 80 -3.918 -3.081 6.682 1.00 44.51 N ATOM 1298 CA LYS A 80 -3.682 -4.084 7.725 1.00 3.22 C ATOM 1299 C LYS A 80 -2.768 -5.223 7.236 1.00 20.14 C ATOM 1300 O LYS A 80 -3.014 -5.828 6.192 1.00 12.04 O ATOM 1301 CB LYS A 80 -5.016 -4.660 8.221 1.00 60.40 C ATOM 1302 CG LYS A 80 -4.884 -5.496 9.491 1.00 0.41 C ATOM 1303 CD LYS A 80 -6.205 -6.136 9.899 1.00 23.24 C ATOM 1304 CE LYS A 80 -6.091 -6.875 11.228 1.00 35.22 C ATOM 1305 NZ LYS A 80 -5.055 -7.942 11.197 1.00 63.21 N ATOM 0 H LYS A 80 -4.708 -3.286 6.070 1.00 44.51 H new ATOM 0 HA LYS A 80 -3.173 -3.582 8.548 1.00 3.22 H new ATOM 0 HB2 LYS A 80 -5.710 -3.840 8.406 1.00 60.40 H new ATOM 0 HB3 LYS A 80 -5.452 -5.276 7.434 1.00 60.40 H new ATOM 0 HG2 LYS A 80 -4.138 -6.275 9.335 1.00 0.41 H new ATOM 0 HG3 LYS A 80 -4.522 -4.865 10.303 1.00 0.41 H new ATOM 0 HD2 LYS A 80 -6.973 -5.366 9.976 1.00 23.24 H new ATOM 0 HD3 LYS A 80 -6.527 -6.831 9.123 1.00 23.24 H new ATOM 0 HE2 LYS A 80 -5.851 -6.163 12.017 1.00 35.22 H new ATOM 0 HE3 LYS A 80 -7.056 -7.316 11.479 1.00 35.22 H new ATOM 0 HZ1 LYS A 80 -5.460 -8.829 11.559 1.00 63.21 H new ATOM 0 HZ2 LYS A 80 -4.731 -8.083 10.219 1.00 63.21 H new ATOM 0 HZ3 LYS A 80 -4.249 -7.661 11.792 1.00 63.21 H new ATOM 1319 N ASP A 81 -1.717 -5.493 8.015 1.00 0.22 N ATOM 1320 CA ASP A 81 -0.780 -6.601 7.767 1.00 62.25 C ATOM 1321 C ASP A 81 -0.104 -6.527 6.383 1.00 12.00 C ATOM 1322 O ASP A 81 -0.621 -7.046 5.393 1.00 44.42 O ATOM 1323 CB ASP A 81 -1.486 -7.951 7.944 1.00 33.00 C ATOM 1324 CG ASP A 81 -2.168 -8.066 9.296 1.00 10.44 C ATOM 1325 OD1 ASP A 81 -1.513 -7.793 10.325 1.00 64.21 O ATOM 1326 OD2 ASP A 81 -3.363 -8.434 9.338 1.00 71.10 O ATOM 0 H ASP A 81 -1.487 -4.946 8.844 1.00 0.22 H new ATOM 0 HA ASP A 81 0.014 -6.505 8.507 1.00 62.25 H new ATOM 0 HB2 ASP A 81 -2.225 -8.079 7.153 1.00 33.00 H new ATOM 0 HB3 ASP A 81 -0.760 -8.756 7.835 1.00 33.00 H new ATOM 1331 N VAL A 82 1.058 -5.877 6.322 1.00 63.23 N ATOM 1332 CA VAL A 82 1.853 -5.809 5.089 1.00 73.24 C ATOM 1333 C VAL A 82 3.323 -6.157 5.356 1.00 54.11 C ATOM 1334 O VAL A 82 3.791 -6.101 6.497 1.00 41.00 O ATOM 1335 CB VAL A 82 1.776 -4.409 4.424 1.00 54.31 C ATOM 1336 CG1 VAL A 82 0.355 -4.105 3.964 1.00 25.43 C ATOM 1337 CG2 VAL A 82 2.282 -3.324 5.373 1.00 2.23 C ATOM 0 H VAL A 82 1.474 -5.387 7.114 1.00 63.23 H new ATOM 0 HA VAL A 82 1.424 -6.543 4.406 1.00 73.24 H new ATOM 0 HB VAL A 82 2.423 -4.418 3.547 1.00 54.31 H new ATOM 0 HG11 VAL A 82 0.326 -3.119 3.501 1.00 25.43 H new ATOM 0 HG12 VAL A 82 0.039 -4.855 3.240 1.00 25.43 H new ATOM 0 HG13 VAL A 82 -0.317 -4.123 4.822 1.00 25.43 H new ATOM 0 HG21 VAL A 82 2.217 -2.353 4.883 1.00 2.23 H new ATOM 0 HG22 VAL A 82 1.671 -3.316 6.276 1.00 2.23 H new ATOM 0 HG23 VAL A 82 3.319 -3.528 5.639 1.00 2.23 H new ATOM 1347 N ASN A 83 4.047 -6.521 4.300 1.00 21.32 N ATOM 1348 CA ASN A 83 5.471 -6.863 4.412 1.00 0.55 C ATOM 1349 C ASN A 83 6.364 -5.719 3.917 1.00 60.03 C ATOM 1350 O ASN A 83 6.319 -5.341 2.744 1.00 40.12 O ATOM 1351 CB ASN A 83 5.784 -8.131 3.607 1.00 22.14 C ATOM 1352 CG ASN A 83 5.118 -9.373 4.167 1.00 64.45 C ATOM 1353 OD1 ASN A 83 5.041 -9.474 5.478 1.00 24.02 O flip ATOM 1354 ND2 ASN A 83 4.704 -10.256 3.424 1.00 64.13 N flip ATOM 0 H ASN A 83 3.674 -6.588 3.353 1.00 21.32 H new ATOM 0 HA ASN A 83 5.680 -7.037 5.467 1.00 0.55 H new ATOM 0 HB2 ASN A 83 5.462 -7.988 2.576 1.00 22.14 H new ATOM 0 HB3 ASN A 83 6.863 -8.283 3.586 1.00 22.14 H new ATOM 0 HD21 ASN A 83 4.778 -10.148 2.412 1.00 64.13 H new ATOM 0 HD22 ASN A 83 4.285 -11.099 3.817 1.00 64.13 H new ATOM 1361 N ILE A 84 7.184 -5.178 4.810 1.00 54.30 N ATOM 1362 CA ILE A 84 8.155 -4.149 4.437 1.00 50.44 C ATOM 1363 C ILE A 84 9.403 -4.795 3.819 1.00 52.52 C ATOM 1364 O ILE A 84 10.059 -5.619 4.453 1.00 40.11 O ATOM 1365 CB ILE A 84 8.577 -3.296 5.663 1.00 52.21 C ATOM 1366 CG1 ILE A 84 7.341 -2.697 6.360 1.00 72.44 C ATOM 1367 CG2 ILE A 84 9.552 -2.191 5.249 1.00 64.32 C ATOM 1368 CD1 ILE A 84 6.511 -1.785 5.476 1.00 23.23 C ATOM 0 H ILE A 84 7.198 -5.433 5.798 1.00 54.30 H new ATOM 0 HA ILE A 84 7.676 -3.496 3.707 1.00 50.44 H new ATOM 0 HB ILE A 84 9.086 -3.950 6.371 1.00 52.21 H new ATOM 0 HG12 ILE A 84 6.710 -3.510 6.718 1.00 72.44 H new ATOM 0 HG13 ILE A 84 7.667 -2.137 7.236 1.00 72.44 H new ATOM 0 HG21 ILE A 84 9.833 -1.607 6.125 1.00 64.32 H new ATOM 0 HG22 ILE A 84 10.444 -2.638 4.810 1.00 64.32 H new ATOM 0 HG23 ILE A 84 9.074 -1.540 4.517 1.00 64.32 H new ATOM 0 HD11 ILE A 84 5.660 -1.405 6.042 1.00 23.23 H new ATOM 0 HD12 ILE A 84 7.124 -0.950 5.138 1.00 23.23 H new ATOM 0 HD13 ILE A 84 6.152 -2.344 4.612 1.00 23.23 H new ATOM 1380 N ARG A 85 9.711 -4.455 2.568 1.00 22.14 N ATOM 1381 CA ARG A 85 10.899 -5.005 1.896 1.00 34.35 C ATOM 1382 C ARG A 85 12.122 -4.099 2.098 1.00 70.34 C ATOM 1383 O ARG A 85 13.028 -4.435 2.861 1.00 73.21 O ATOM 1384 CB ARG A 85 10.624 -5.233 0.401 1.00 45.44 C ATOM 1385 CG ARG A 85 9.490 -6.224 0.111 1.00 1.03 C ATOM 1386 CD ARG A 85 9.784 -7.637 0.630 1.00 55.43 C ATOM 1387 NE ARG A 85 9.744 -7.724 2.094 1.00 64.44 N ATOM 1388 CZ ARG A 85 9.963 -8.819 2.774 1.00 73.34 C ATOM 1389 NH1 ARG A 85 10.215 -9.934 2.173 1.00 22.41 N ATOM 1390 NH2 ARG A 85 9.921 -8.793 4.067 1.00 51.32 N ATOM 0 H ARG A 85 9.164 -3.808 2.000 1.00 22.14 H new ATOM 0 HA ARG A 85 11.123 -5.970 2.351 1.00 34.35 H new ATOM 0 HB2 ARG A 85 10.382 -4.276 -0.062 1.00 45.44 H new ATOM 0 HB3 ARG A 85 11.537 -5.594 -0.073 1.00 45.44 H new ATOM 0 HG2 ARG A 85 8.570 -5.859 0.567 1.00 1.03 H new ATOM 0 HG3 ARG A 85 9.317 -6.266 -0.964 1.00 1.03 H new ATOM 0 HD2 ARG A 85 9.058 -8.332 0.209 1.00 55.43 H new ATOM 0 HD3 ARG A 85 10.767 -7.951 0.278 1.00 55.43 H new ATOM 0 HE ARG A 85 9.531 -6.874 2.616 1.00 64.44 H new ATOM 0 HH11 ARG A 85 10.245 -9.969 1.154 1.00 22.41 H new ATOM 0 HH12 ARG A 85 10.384 -10.780 2.717 1.00 22.41 H new ATOM 0 HH21 ARG A 85 9.717 -7.920 4.553 1.00 51.32 H new ATOM 0 HH22 ARG A 85 10.091 -9.646 4.600 1.00 51.32 H new ATOM 1476 N LYS A 92 10.654 3.585 2.069 1.00 71.32 N ATOM 1477 CA LYS A 92 10.532 2.129 1.970 1.00 41.10 C ATOM 1478 C LYS A 92 9.248 1.692 1.241 1.00 31.25 C ATOM 1479 O LYS A 92 8.494 2.515 0.722 1.00 13.02 O ATOM 1480 CB LYS A 92 10.588 1.527 3.373 1.00 45.24 C ATOM 1481 CG LYS A 92 11.942 1.720 4.032 1.00 15.41 C ATOM 1482 CD LYS A 92 11.935 1.309 5.494 1.00 12.20 C ATOM 1483 CE LYS A 92 13.344 1.288 6.061 1.00 64.52 C ATOM 1484 NZ LYS A 92 14.057 2.578 5.869 1.00 22.02 N ATOM 0 HA LYS A 92 11.365 1.760 1.372 1.00 41.10 H new ATOM 0 HB2 LYS A 92 9.817 1.985 3.993 1.00 45.24 H new ATOM 0 HB3 LYS A 92 10.362 0.462 3.318 1.00 45.24 H new ATOM 0 HG2 LYS A 92 12.691 1.136 3.496 1.00 15.41 H new ATOM 0 HG3 LYS A 92 12.237 2.766 3.952 1.00 15.41 H new ATOM 0 HD2 LYS A 92 11.319 2.002 6.067 1.00 12.20 H new ATOM 0 HD3 LYS A 92 11.484 0.322 5.596 1.00 12.20 H new ATOM 0 HE2 LYS A 92 13.300 1.056 7.125 1.00 64.52 H new ATOM 0 HE3 LYS A 92 13.912 0.489 5.584 1.00 64.52 H new ATOM 0 HZ1 LYS A 92 14.941 2.571 6.416 1.00 22.02 H new ATOM 0 HZ2 LYS A 92 14.275 2.707 4.860 1.00 22.02 H new ATOM 0 HZ3 LYS A 92 13.454 3.360 6.196 1.00 22.02 H new ATOM 1498 N GLU A 93 8.994 0.385 1.227 1.00 13.43 N ATOM 1499 CA GLU A 93 7.882 -0.183 0.461 1.00 54.02 C ATOM 1500 C GLU A 93 7.133 -1.252 1.271 1.00 2.30 C ATOM 1501 O GLU A 93 7.747 -2.066 1.968 1.00 20.02 O ATOM 1502 CB GLU A 93 8.412 -0.780 -0.849 1.00 0.13 C ATOM 1503 CG GLU A 93 9.460 -1.870 -0.640 1.00 64.31 C ATOM 1504 CD GLU A 93 10.123 -2.309 -1.935 1.00 22.51 C ATOM 1505 OE1 GLU A 93 9.479 -3.026 -2.728 1.00 10.22 O ATOM 1506 OE2 GLU A 93 11.288 -1.935 -2.162 1.00 64.00 O ATOM 0 H GLU A 93 9.544 -0.304 1.739 1.00 13.43 H new ATOM 0 HA GLU A 93 7.175 0.616 0.236 1.00 54.02 H new ATOM 0 HB2 GLU A 93 7.577 -1.193 -1.415 1.00 0.13 H new ATOM 0 HB3 GLU A 93 8.844 0.017 -1.454 1.00 0.13 H new ATOM 0 HG2 GLU A 93 10.223 -1.506 0.048 1.00 64.31 H new ATOM 0 HG3 GLU A 93 8.990 -2.733 -0.168 1.00 64.31 H new ATOM 1513 N ALA A 94 5.807 -1.236 1.171 1.00 72.31 N ATOM 1514 CA ALA A 94 4.948 -2.183 1.890 1.00 2.51 C ATOM 1515 C ALA A 94 4.120 -3.030 0.916 1.00 11.52 C ATOM 1516 O ALA A 94 3.265 -2.509 0.204 1.00 52.10 O ATOM 1517 CB ALA A 94 4.025 -1.427 2.840 1.00 33.03 C ATOM 0 H ALA A 94 5.295 -0.570 0.592 1.00 72.31 H new ATOM 0 HA ALA A 94 5.587 -2.855 2.463 1.00 2.51 H new ATOM 0 HB1 ALA A 94 3.390 -2.136 3.371 1.00 33.03 H new ATOM 0 HB2 ALA A 94 4.623 -0.866 3.559 1.00 33.03 H new ATOM 0 HB3 ALA A 94 3.402 -0.738 2.270 1.00 33.03 H new ATOM 1523 N HIS A 95 4.368 -4.335 0.890 1.00 31.13 N ATOM 1524 CA HIS A 95 3.663 -5.238 -0.027 1.00 61.22 C ATOM 1525 C HIS A 95 2.420 -5.845 0.630 1.00 70.21 C ATOM 1526 O HIS A 95 2.497 -6.454 1.700 1.00 23.31 O ATOM 1527 CB HIS A 95 4.605 -6.346 -0.514 1.00 43.40 C ATOM 1528 CG HIS A 95 5.648 -5.855 -1.473 1.00 70.52 C ATOM 1529 ND1 HIS A 95 5.738 -6.354 -2.750 1.00 13.43 N ATOM 1530 CD2 HIS A 95 6.605 -4.914 -1.299 1.00 62.13 C ATOM 1531 CE1 HIS A 95 6.742 -5.711 -3.320 1.00 22.54 C ATOM 1532 NE2 HIS A 95 7.294 -4.831 -2.478 1.00 43.31 N ATOM 0 H HIS A 95 5.051 -4.796 1.491 1.00 31.13 H new ATOM 0 HA HIS A 95 3.333 -4.652 -0.885 1.00 61.22 H new ATOM 0 HB2 HIS A 95 5.097 -6.800 0.346 1.00 43.40 H new ATOM 0 HB3 HIS A 95 4.018 -7.128 -0.995 1.00 43.40 H new ATOM 0 HD2 HIS A 95 6.789 -4.340 -0.403 1.00 62.13 H new ATOM 0 HE1 HIS A 95 7.074 -5.875 -4.335 1.00 22.54 H new ATOM 0 HE2 HIS A 95 8.081 -4.214 -2.677 1.00 43.31 H new ATOM 1540 N LEU A 96 1.275 -5.674 -0.026 1.00 63.33 N ATOM 1541 CA LEU A 96 -0.005 -6.149 0.496 1.00 42.11 C ATOM 1542 C LEU A 96 -0.234 -7.640 0.192 1.00 63.21 C ATOM 1543 O LEU A 96 0.316 -8.200 -0.762 1.00 10.00 O ATOM 1544 CB LEU A 96 -1.159 -5.314 -0.081 1.00 51.30 C ATOM 1545 CG LEU A 96 -1.381 -3.936 0.574 1.00 60.03 C ATOM 1546 CD1 LEU A 96 -0.195 -3.004 0.325 1.00 20.21 C ATOM 1547 CD2 LEU A 96 -2.680 -3.307 0.075 1.00 12.00 C ATOM 0 H LEU A 96 1.207 -5.205 -0.929 1.00 63.33 H new ATOM 0 HA LEU A 96 0.023 -6.032 1.579 1.00 42.11 H new ATOM 0 HB2 LEU A 96 -0.978 -5.165 -1.145 1.00 51.30 H new ATOM 0 HB3 LEU A 96 -2.080 -5.890 0.008 1.00 51.30 H new ATOM 0 HG LEU A 96 -1.462 -4.086 1.651 1.00 60.03 H new ATOM 0 HD11 LEU A 96 -0.383 -2.041 0.800 1.00 20.21 H new ATOM 0 HD12 LEU A 96 0.709 -3.445 0.745 1.00 20.21 H new ATOM 0 HD13 LEU A 96 -0.064 -2.860 -0.748 1.00 20.21 H new ATOM 0 HD21 LEU A 96 -2.819 -2.335 0.549 1.00 12.00 H new ATOM 0 HD22 LEU A 96 -2.631 -3.180 -1.006 1.00 12.00 H new ATOM 0 HD23 LEU A 96 -3.519 -3.956 0.326 1.00 12.00 H new ATOM 1559 N MET A 97 -1.069 -8.263 1.015 1.00 60.10 N ATOM 1560 CA MET A 97 -1.389 -9.688 0.898 1.00 33.41 C ATOM 1561 C MET A 97 -2.869 -9.874 0.518 1.00 70.33 C ATOM 1562 O MET A 97 -3.671 -8.959 0.695 1.00 23.13 O ATOM 1563 CB MET A 97 -1.122 -10.364 2.250 1.00 62.23 C ATOM 1564 CG MET A 97 0.235 -10.026 2.842 1.00 2.51 C ATOM 1565 SD MET A 97 0.409 -10.605 4.538 1.00 65.11 S ATOM 1566 CE MET A 97 1.862 -9.695 5.042 1.00 60.31 C ATOM 0 H MET A 97 -1.547 -7.796 1.786 1.00 60.10 H new ATOM 0 HA MET A 97 -0.769 -10.136 0.121 1.00 33.41 H new ATOM 0 HB2 MET A 97 -1.900 -10.069 2.954 1.00 62.23 H new ATOM 0 HB3 MET A 97 -1.197 -11.445 2.127 1.00 62.23 H new ATOM 0 HG2 MET A 97 1.017 -10.471 2.227 1.00 2.51 H new ATOM 0 HG3 MET A 97 0.382 -8.946 2.813 1.00 2.51 H new ATOM 0 HE1 MET A 97 2.616 -10.390 5.413 1.00 60.31 H new ATOM 0 HE2 MET A 97 2.262 -9.147 4.189 1.00 60.31 H new ATOM 0 HE3 MET A 97 1.596 -8.993 5.832 1.00 60.31 H new ATOM 1576 N PRO A 98 -3.267 -11.064 0.014 1.00 42.11 N ATOM 1577 CA PRO A 98 -4.690 -11.370 -0.249 1.00 23.12 C ATOM 1578 C PRO A 98 -5.547 -11.308 1.032 1.00 30.35 C ATOM 1579 O PRO A 98 -6.773 -11.398 0.982 1.00 3.11 O ATOM 1580 CB PRO A 98 -4.654 -12.801 -0.817 1.00 54.12 C ATOM 1581 CG PRO A 98 -3.330 -13.353 -0.395 1.00 24.53 C ATOM 1582 CD PRO A 98 -2.386 -12.182 -0.368 1.00 45.44 C ATOM 0 HA PRO A 98 -5.145 -10.647 -0.926 1.00 23.12 H new ATOM 0 HB2 PRO A 98 -5.475 -13.402 -0.425 1.00 54.12 H new ATOM 0 HB3 PRO A 98 -4.752 -12.797 -1.903 1.00 54.12 H new ATOM 0 HG2 PRO A 98 -3.397 -13.823 0.586 1.00 24.53 H new ATOM 0 HG3 PRO A 98 -2.985 -14.117 -1.092 1.00 24.53 H new ATOM 0 HD2 PRO A 98 -1.581 -12.327 0.352 1.00 45.44 H new ATOM 0 HD3 PRO A 98 -1.919 -12.016 -1.339 1.00 45.44 H new ATOM 1590 N ARG A 99 -4.880 -11.160 2.179 1.00 30.44 N ATOM 1591 CA ARG A 99 -5.550 -11.041 3.479 1.00 23.22 C ATOM 1592 C ARG A 99 -5.621 -9.575 3.955 1.00 70.41 C ATOM 1593 O ARG A 99 -6.334 -9.262 4.908 1.00 34.12 O ATOM 1594 CB ARG A 99 -4.794 -11.878 4.521 1.00 71.04 C ATOM 1595 CG ARG A 99 -4.671 -13.356 4.155 1.00 51.23 C ATOM 1596 CD ARG A 99 -3.718 -14.099 5.087 1.00 63.22 C ATOM 1597 NE ARG A 99 -2.372 -13.526 5.062 1.00 53.44 N ATOM 1598 CZ ARG A 99 -1.438 -13.861 4.207 1.00 31.42 C ATOM 1599 NH1 ARG A 99 -1.654 -14.759 3.298 1.00 53.30 N ATOM 1600 NH2 ARG A 99 -0.282 -13.293 4.263 1.00 14.03 N ATOM 0 H ARG A 99 -3.862 -11.119 2.234 1.00 30.44 H new ATOM 0 HA ARG A 99 -6.570 -11.407 3.365 1.00 23.22 H new ATOM 0 HB2 ARG A 99 -3.795 -11.462 4.652 1.00 71.04 H new ATOM 0 HB3 ARG A 99 -5.304 -11.792 5.481 1.00 71.04 H new ATOM 0 HG2 ARG A 99 -5.655 -13.823 4.196 1.00 51.23 H new ATOM 0 HG3 ARG A 99 -4.318 -13.447 3.128 1.00 51.23 H new ATOM 0 HD2 ARG A 99 -4.107 -14.067 6.105 1.00 63.22 H new ATOM 0 HD3 ARG A 99 -3.671 -15.149 4.797 1.00 63.22 H new ATOM 0 HE ARG A 99 -2.145 -12.816 5.759 1.00 53.44 H new ATOM 0 HH11 ARG A 99 -2.563 -15.218 3.240 1.00 53.30 H new ATOM 0 HH12 ARG A 99 -0.915 -15.007 2.640 1.00 53.30 H new ATOM 0 HH21 ARG A 99 -0.096 -12.584 4.972 1.00 14.03 H new ATOM 0 HH22 ARG A 99 0.447 -13.553 3.598 1.00 14.03 H new ATOM 1614 N SER A 100 -4.887 -8.688 3.282 1.00 13.30 N ATOM 1615 CA SER A 100 -4.760 -7.283 3.709 1.00 33.41 C ATOM 1616 C SER A 100 -6.014 -6.454 3.394 1.00 41.15 C ATOM 1617 O SER A 100 -6.579 -6.543 2.300 1.00 24.31 O ATOM 1618 CB SER A 100 -3.542 -6.631 3.040 1.00 34.31 C ATOM 1619 OG SER A 100 -2.352 -7.356 3.307 1.00 5.12 O ATOM 0 H SER A 100 -4.367 -8.914 2.434 1.00 13.30 H new ATOM 0 HA SER A 100 -4.633 -7.296 4.792 1.00 33.41 H new ATOM 0 HB2 SER A 100 -3.703 -6.577 1.963 1.00 34.31 H new ATOM 0 HB3 SER A 100 -3.434 -5.607 3.398 1.00 34.31 H new ATOM 0 HG SER A 100 -1.940 -7.018 4.129 1.00 5.12 H new ATOM 1625 N THR A 101 -6.430 -5.634 4.357 1.00 41.22 N ATOM 1626 CA THR A 101 -7.595 -4.748 4.206 1.00 35.02 C ATOM 1627 C THR A 101 -7.183 -3.273 4.329 1.00 40.11 C ATOM 1628 O THR A 101 -6.123 -2.961 4.877 1.00 5.43 O ATOM 1629 CB THR A 101 -8.669 -5.052 5.281 1.00 55.44 C ATOM 1630 OG1 THR A 101 -8.139 -4.796 6.593 1.00 1.34 O ATOM 1631 CG2 THR A 101 -9.138 -6.503 5.197 1.00 42.10 C ATOM 0 H THR A 101 -5.973 -5.561 5.266 1.00 41.22 H new ATOM 0 HA THR A 101 -8.010 -4.931 3.215 1.00 35.02 H new ATOM 0 HB THR A 101 -9.523 -4.400 5.096 1.00 55.44 H new ATOM 0 HG1 THR A 101 -8.825 -4.989 7.266 1.00 1.34 H new ATOM 0 HG21 THR A 101 -9.891 -6.687 5.963 1.00 42.10 H new ATOM 0 HG22 THR A 101 -9.568 -6.690 4.213 1.00 42.10 H new ATOM 0 HG23 THR A 101 -8.290 -7.169 5.355 1.00 42.10 H new ATOM 1639 N VAL A 102 -8.015 -2.363 3.812 1.00 20.14 N ATOM 1640 CA VAL A 102 -7.743 -0.917 3.912 1.00 41.21 C ATOM 1641 C VAL A 102 -8.963 -0.141 4.436 1.00 22.32 C ATOM 1642 O VAL A 102 -10.110 -0.500 4.160 1.00 64.40 O ATOM 1643 CB VAL A 102 -7.311 -0.304 2.549 1.00 4.15 C ATOM 1644 CG1 VAL A 102 -6.053 -0.986 2.017 1.00 62.45 C ATOM 1645 CG2 VAL A 102 -8.446 -0.376 1.528 1.00 34.03 C ATOM 0 H VAL A 102 -8.879 -2.596 3.322 1.00 20.14 H new ATOM 0 HA VAL A 102 -6.920 -0.821 4.621 1.00 41.21 H new ATOM 0 HB VAL A 102 -7.078 0.748 2.715 1.00 4.15 H new ATOM 0 HG11 VAL A 102 -5.772 -0.539 1.063 1.00 62.45 H new ATOM 0 HG12 VAL A 102 -5.240 -0.858 2.731 1.00 62.45 H new ATOM 0 HG13 VAL A 102 -6.247 -2.049 1.876 1.00 62.45 H new ATOM 0 HG21 VAL A 102 -8.115 0.060 0.585 1.00 34.03 H new ATOM 0 HG22 VAL A 102 -8.726 -1.417 1.368 1.00 34.03 H new ATOM 0 HG23 VAL A 102 -9.307 0.178 1.902 1.00 34.03 H new ATOM 1655 N GLU A 103 -8.708 0.922 5.194 1.00 40.54 N ATOM 1656 CA GLU A 103 -9.780 1.782 5.719 1.00 1.32 C ATOM 1657 C GLU A 103 -9.357 3.258 5.703 1.00 51.04 C ATOM 1658 O GLU A 103 -8.186 3.582 5.913 1.00 13.34 O ATOM 1659 CB GLU A 103 -10.144 1.354 7.144 1.00 42.14 C ATOM 1660 CG GLU A 103 -8.992 1.489 8.135 1.00 51.02 C ATOM 1661 CD GLU A 103 -9.316 0.911 9.499 1.00 13.23 C ATOM 1662 OE1 GLU A 103 -9.933 1.617 10.322 1.00 41.53 O ATOM 1663 OE2 GLU A 103 -8.940 -0.253 9.757 1.00 14.40 O ATOM 0 H GLU A 103 -7.768 1.214 5.462 1.00 40.54 H new ATOM 0 HA GLU A 103 -10.654 1.671 5.077 1.00 1.32 H new ATOM 0 HB2 GLU A 103 -10.984 1.955 7.492 1.00 42.14 H new ATOM 0 HB3 GLU A 103 -10.479 0.317 7.129 1.00 42.14 H new ATOM 0 HG2 GLU A 103 -8.112 0.986 7.733 1.00 51.02 H new ATOM 0 HG3 GLU A 103 -8.735 2.543 8.244 1.00 51.02 H new ATOM 1670 N VAL A 104 -10.312 4.148 5.454 1.00 32.21 N ATOM 1671 CA VAL A 104 -10.025 5.584 5.361 1.00 15.04 C ATOM 1672 C VAL A 104 -10.011 6.279 6.739 1.00 75.13 C ATOM 1673 O VAL A 104 -10.989 6.246 7.488 1.00 75.34 O ATOM 1674 CB VAL A 104 -11.027 6.302 4.418 1.00 2.34 C ATOM 1675 CG1 VAL A 104 -10.837 5.836 2.975 1.00 13.22 C ATOM 1676 CG2 VAL A 104 -12.467 6.072 4.871 1.00 13.51 C ATOM 0 H VAL A 104 -11.292 3.905 5.312 1.00 32.21 H new ATOM 0 HA VAL A 104 -9.022 5.663 4.941 1.00 15.04 H new ATOM 0 HB VAL A 104 -10.825 7.372 4.465 1.00 2.34 H new ATOM 0 HG11 VAL A 104 -11.549 6.351 2.330 1.00 13.22 H new ATOM 0 HG12 VAL A 104 -9.822 6.064 2.650 1.00 13.22 H new ATOM 0 HG13 VAL A 104 -11.005 4.761 2.915 1.00 13.22 H new ATOM 0 HG21 VAL A 104 -13.148 6.586 4.193 1.00 13.51 H new ATOM 0 HG22 VAL A 104 -12.685 5.004 4.863 1.00 13.51 H new ATOM 0 HG23 VAL A 104 -12.597 6.462 5.881 1.00 13.51 H new ATOM 1686 N LEU A 105 -8.881 6.906 7.062 1.00 71.44 N ATOM 1687 CA LEU A 105 -8.725 7.659 8.313 1.00 2.12 C ATOM 1688 C LEU A 105 -8.645 9.171 8.040 1.00 72.35 C ATOM 1689 O LEU A 105 -8.551 9.580 6.888 1.00 74.31 O ATOM 1690 CB LEU A 105 -7.475 7.185 9.065 1.00 3.41 C ATOM 1691 CG LEU A 105 -7.486 5.702 9.483 1.00 54.43 C ATOM 1692 CD1 LEU A 105 -6.201 5.340 10.222 1.00 21.31 C ATOM 1693 CD2 LEU A 105 -8.710 5.386 10.343 1.00 62.52 C ATOM 0 H LEU A 105 -8.050 6.909 6.470 1.00 71.44 H new ATOM 0 HA LEU A 105 -9.601 7.474 8.934 1.00 2.12 H new ATOM 0 HB2 LEU A 105 -6.603 7.363 8.436 1.00 3.41 H new ATOM 0 HB3 LEU A 105 -7.354 7.797 9.959 1.00 3.41 H new ATOM 0 HG LEU A 105 -7.543 5.097 8.578 1.00 54.43 H new ATOM 0 HD11 LEU A 105 -6.230 4.289 10.508 1.00 21.31 H new ATOM 0 HD12 LEU A 105 -5.345 5.516 9.571 1.00 21.31 H new ATOM 0 HD13 LEU A 105 -6.109 5.957 11.116 1.00 21.31 H new ATOM 0 HD21 LEU A 105 -8.695 4.333 10.625 1.00 62.52 H new ATOM 0 HD22 LEU A 105 -8.692 6.003 11.242 1.00 62.52 H new ATOM 0 HD23 LEU A 105 -9.617 5.596 9.776 1.00 62.52 H new