USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=19 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= -0.0253 F(o=-1,f=-0.025) USER MOD Set 1.2: A 97 MET CE :methyl -131:sc= 0 (180deg=-0.41) USER MOD Set 2.1: A 9 THR OG1 : rot -106:sc= -0.118 USER MOD Set 2.2: A 53 THR OG1 : rot -70:sc= 1.05 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 147:sc= -3.09! (180deg=-4.92!) USER MOD Single : A 19 THR OG1 : rot 180:sc= -1.08 USER MOD Single : A 22 THR OG1 : rot -122:sc= -0.859 USER MOD Single : A 26 MET CE :methyl 164:sc= -0.098 (180deg=-0.554) 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 33 THR OG1 : rot 180:sc= -0.0675 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -0.704 K(o=-0.7,f=-5.9!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= 0.979 K(o=0.98,f=-0.51) USER MOD Single : A 66 LYS NZ :NH3+ 178:sc= 1.21 (180deg=1.14) USER MOD Single : A 69 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00821) USER MOD Single : A 70 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00933) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 162:sc= 0.582 (180deg=0.231) USER MOD Single : A 95 HIS : no HD1:sc= 0.68 K(o=0.68,f=-7.2!) USER MOD Single : A 100 SER OG : rot -133:sc= 0.306 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 142 N THR A 9 6.065 3.349 13.173 1.00 43.21 N ATOM 143 CA THR A 9 5.882 4.497 12.251 1.00 33.12 C ATOM 144 C THR A 9 6.702 4.358 10.955 1.00 2.55 C ATOM 145 O THR A 9 7.618 3.545 10.874 1.00 2.33 O ATOM 146 CB THR A 9 6.252 5.843 12.927 1.00 40.42 C ATOM 147 OG1 THR A 9 6.047 6.934 12.012 1.00 31.13 O ATOM 148 CG2 THR A 9 7.704 5.844 13.402 1.00 34.43 C ATOM 0 HA THR A 9 4.822 4.492 11.996 1.00 33.12 H new ATOM 0 HB THR A 9 5.603 5.967 13.794 1.00 40.42 H new ATOM 0 HG1 THR A 9 6.914 7.263 11.695 1.00 31.13 H new ATOM 0 HG21 THR A 9 7.933 6.801 13.871 1.00 34.43 H new ATOM 0 HG22 THR A 9 7.851 5.041 14.124 1.00 34.43 H new ATOM 0 HG23 THR A 9 8.366 5.691 12.550 1.00 34.43 H new ATOM 156 N ILE A 10 6.394 5.190 9.954 1.00 20.43 N ATOM 157 CA ILE A 10 7.011 5.068 8.624 1.00 4.51 C ATOM 158 C ILE A 10 8.533 5.294 8.657 1.00 51.31 C ATOM 159 O ILE A 10 9.284 4.626 7.936 1.00 51.01 O ATOM 160 CB ILE A 10 6.361 6.022 7.594 1.00 23.02 C ATOM 161 CG1 ILE A 10 4.856 5.715 7.461 1.00 52.10 C ATOM 162 CG2 ILE A 10 7.061 5.894 6.243 1.00 12.13 C ATOM 163 CD1 ILE A 10 4.153 6.511 6.378 1.00 53.24 C ATOM 0 H ILE A 10 5.723 5.954 10.037 1.00 20.43 H new ATOM 0 HA ILE A 10 6.830 4.040 8.309 1.00 4.51 H new ATOM 0 HB ILE A 10 6.472 7.049 7.942 1.00 23.02 H new ATOM 0 HG12 ILE A 10 4.730 4.652 7.255 1.00 52.10 H new ATOM 0 HG13 ILE A 10 4.370 5.914 8.416 1.00 52.10 H new ATOM 0 HG21 ILE A 10 6.595 6.570 5.526 1.00 12.13 H new ATOM 0 HG22 ILE A 10 8.114 6.152 6.353 1.00 12.13 H new ATOM 0 HG23 ILE A 10 6.974 4.869 5.884 1.00 12.13 H new ATOM 0 HD11 ILE A 10 3.099 6.236 6.350 1.00 53.24 H new ATOM 0 HD12 ILE A 10 4.244 7.576 6.592 1.00 53.24 H new ATOM 0 HD13 ILE A 10 4.610 6.294 5.412 1.00 53.24 H new ATOM 175 N SER A 11 8.993 6.236 9.480 1.00 14.43 N ATOM 176 CA SER A 11 10.439 6.404 9.707 1.00 24.34 C ATOM 177 C SER A 11 11.063 5.083 10.170 1.00 11.01 C ATOM 178 O SER A 11 12.179 4.735 9.782 1.00 44.03 O ATOM 179 CB SER A 11 10.714 7.494 10.749 1.00 31.40 C ATOM 180 OG SER A 11 12.091 7.547 11.093 1.00 34.25 O ATOM 0 H SER A 11 8.401 6.888 9.996 1.00 14.43 H new ATOM 0 HA SER A 11 10.890 6.706 8.762 1.00 24.34 H new ATOM 0 HB2 SER A 11 10.398 8.461 10.358 1.00 31.40 H new ATOM 0 HB3 SER A 11 10.121 7.302 11.643 1.00 31.40 H new ATOM 0 HG SER A 11 12.235 8.252 11.758 1.00 34.25 H new ATOM 186 N LYS A 12 10.316 4.347 10.987 1.00 63.01 N ATOM 187 CA LYS A 12 10.720 3.018 11.440 1.00 14.43 C ATOM 188 C LYS A 12 10.496 1.954 10.353 1.00 54.35 C ATOM 189 O LYS A 12 11.420 1.647 9.599 1.00 15.44 O ATOM 190 CB LYS A 12 9.958 2.642 12.721 1.00 3.13 C ATOM 191 CG LYS A 12 10.408 3.392 13.969 1.00 54.21 C ATOM 192 CD LYS A 12 11.789 2.935 14.442 1.00 40.22 C ATOM 193 CE LYS A 12 11.755 1.547 15.098 1.00 32.23 C ATOM 194 NZ LYS A 12 11.349 0.461 14.157 1.00 65.11 N ATOM 0 H LYS A 12 9.415 4.653 11.354 1.00 63.01 H new ATOM 0 HA LYS A 12 11.788 3.049 11.654 1.00 14.43 H new ATOM 0 HB2 LYS A 12 8.896 2.828 12.564 1.00 3.13 H new ATOM 0 HB3 LYS A 12 10.072 1.572 12.895 1.00 3.13 H new ATOM 0 HG2 LYS A 12 10.431 4.462 13.761 1.00 54.21 H new ATOM 0 HG3 LYS A 12 9.682 3.238 14.767 1.00 54.21 H new ATOM 0 HD2 LYS A 12 12.472 2.916 13.593 1.00 40.22 H new ATOM 0 HD3 LYS A 12 12.184 3.660 15.153 1.00 40.22 H new ATOM 0 HE2 LYS A 12 12.741 1.319 15.502 1.00 32.23 H new ATOM 0 HE3 LYS A 12 11.063 1.567 15.940 1.00 32.23 H new ATOM 0 HZ1 LYS A 12 11.842 -0.419 14.409 1.00 65.11 H new ATOM 0 HZ2 LYS A 12 10.322 0.313 14.221 1.00 65.11 H new ATOM 0 HZ3 LYS A 12 11.600 0.732 13.185 1.00 65.11 H new ATOM 208 N LEU A 13 9.263 1.429 10.266 1.00 64.00 N ATOM 209 CA LEU A 13 8.926 0.295 9.383 1.00 12.11 C ATOM 210 C LEU A 13 10.124 -0.637 9.163 1.00 21.03 C ATOM 211 O LEU A 13 10.694 -0.706 8.070 1.00 34.41 O ATOM 212 CB LEU A 13 8.365 0.792 8.047 1.00 4.22 C ATOM 213 CG LEU A 13 7.012 1.508 8.146 1.00 31.11 C ATOM 214 CD1 LEU A 13 6.563 2.003 6.777 1.00 71.20 C ATOM 215 CD2 LEU A 13 5.960 0.591 8.767 1.00 60.32 C ATOM 0 H LEU A 13 8.470 1.777 10.805 1.00 64.00 H new ATOM 0 HA LEU A 13 8.153 -0.288 9.885 1.00 12.11 H new ATOM 0 HB2 LEU A 13 9.088 1.471 7.595 1.00 4.22 H new ATOM 0 HB3 LEU A 13 8.262 -0.058 7.373 1.00 4.22 H new ATOM 0 HG LEU A 13 7.130 2.375 8.796 1.00 31.11 H new ATOM 0 HD11 LEU A 13 5.601 2.508 6.870 1.00 71.20 H new ATOM 0 HD12 LEU A 13 7.302 2.700 6.382 1.00 71.20 H new ATOM 0 HD13 LEU A 13 6.464 1.156 6.098 1.00 71.20 H new ATOM 0 HD21 LEU A 13 5.008 1.118 8.828 1.00 60.32 H new ATOM 0 HD22 LEU A 13 5.843 -0.299 8.149 1.00 60.32 H new ATOM 0 HD23 LEU A 13 6.277 0.299 9.768 1.00 60.32 H new ATOM 227 N GLU A 14 10.512 -1.331 10.223 1.00 43.40 N ATOM 228 CA GLU A 14 11.724 -2.146 10.211 1.00 22.50 C ATOM 229 C GLU A 14 11.649 -3.267 9.157 1.00 61.15 C ATOM 230 O GLU A 14 10.820 -4.177 9.249 1.00 72.44 O ATOM 231 CB GLU A 14 11.972 -2.725 11.613 1.00 22.43 C ATOM 232 CG GLU A 14 13.368 -3.307 11.805 1.00 41.23 C ATOM 233 CD GLU A 14 13.640 -3.733 13.242 1.00 63.32 C ATOM 234 OE1 GLU A 14 13.536 -2.881 14.152 1.00 22.23 O ATOM 235 OE2 GLU A 14 13.978 -4.916 13.468 1.00 52.12 O ATOM 0 H GLU A 14 10.004 -1.348 11.107 1.00 43.40 H new ATOM 0 HA GLU A 14 12.563 -1.507 9.935 1.00 22.50 H new ATOM 0 HB2 GLU A 14 11.812 -1.940 12.353 1.00 22.43 H new ATOM 0 HB3 GLU A 14 11.235 -3.503 11.809 1.00 22.43 H new ATOM 0 HG2 GLU A 14 13.491 -4.167 11.147 1.00 41.23 H new ATOM 0 HG3 GLU A 14 14.109 -2.567 11.504 1.00 41.23 H new ATOM 242 N GLU A 15 12.527 -3.181 8.156 1.00 31.53 N ATOM 243 CA GLU A 15 12.556 -4.127 7.028 1.00 71.42 C ATOM 244 C GLU A 15 12.499 -5.598 7.484 1.00 70.14 C ATOM 245 O GLU A 15 13.183 -6.002 8.430 1.00 52.51 O ATOM 246 CB GLU A 15 13.817 -3.884 6.188 1.00 65.44 C ATOM 247 CG GLU A 15 15.116 -4.013 6.979 1.00 12.23 C ATOM 248 CD GLU A 15 16.349 -3.718 6.140 1.00 12.14 C ATOM 249 OE1 GLU A 15 16.752 -4.589 5.336 1.00 73.41 O ATOM 250 OE2 GLU A 15 16.920 -2.616 6.276 1.00 32.05 O ATOM 0 H GLU A 15 13.241 -2.454 8.100 1.00 31.53 H new ATOM 0 HA GLU A 15 11.664 -3.948 6.428 1.00 71.42 H new ATOM 0 HB2 GLU A 15 13.834 -4.593 5.361 1.00 65.44 H new ATOM 0 HB3 GLU A 15 13.765 -2.887 5.752 1.00 65.44 H new ATOM 0 HG2 GLU A 15 15.088 -3.330 7.828 1.00 12.23 H new ATOM 0 HG3 GLU A 15 15.191 -5.022 7.384 1.00 12.23 H new ATOM 257 N GLY A 16 11.675 -6.392 6.804 1.00 44.34 N ATOM 258 CA GLY A 16 11.501 -7.795 7.164 1.00 61.23 C ATOM 259 C GLY A 16 10.372 -8.030 8.166 1.00 43.50 C ATOM 260 O GLY A 16 10.075 -9.173 8.513 1.00 42.42 O ATOM 0 H GLY A 16 11.120 -6.088 6.004 1.00 44.34 H new ATOM 0 HA2 GLY A 16 11.301 -8.372 6.261 1.00 61.23 H new ATOM 0 HA3 GLY A 16 12.433 -8.173 7.584 1.00 61.23 H new ATOM 264 N ALA A 17 9.740 -6.954 8.636 1.00 40.11 N ATOM 265 CA ALA A 17 8.662 -7.061 9.627 1.00 21.02 C ATOM 266 C ALA A 17 7.270 -7.108 8.978 1.00 64.24 C ATOM 267 O ALA A 17 7.054 -6.571 7.888 1.00 2.32 O ATOM 268 CB ALA A 17 8.736 -5.901 10.612 1.00 23.30 C ATOM 0 H ALA A 17 9.953 -5.999 8.349 1.00 40.11 H new ATOM 0 HA ALA A 17 8.806 -8.003 10.156 1.00 21.02 H new ATOM 0 HB1 ALA A 17 7.931 -5.992 11.342 1.00 23.30 H new ATOM 0 HB2 ALA A 17 9.697 -5.921 11.127 1.00 23.30 H new ATOM 0 HB3 ALA A 17 8.633 -4.959 10.073 1.00 23.30 H new ATOM 274 N GLU A 18 6.330 -7.757 9.665 1.00 73.41 N ATOM 275 CA GLU A 18 4.931 -7.801 9.229 1.00 41.41 C ATOM 276 C GLU A 18 4.053 -6.993 10.198 1.00 35.32 C ATOM 277 O GLU A 18 3.854 -7.392 11.350 1.00 53.45 O ATOM 278 CB GLU A 18 4.453 -9.259 9.154 1.00 33.24 C ATOM 279 CG GLU A 18 3.055 -9.430 8.567 1.00 11.53 C ATOM 280 CD GLU A 18 2.664 -10.894 8.423 1.00 41.20 C ATOM 281 OE1 GLU A 18 3.262 -11.594 7.579 1.00 50.10 O ATOM 282 OE2 GLU A 18 1.763 -11.355 9.153 1.00 64.14 O ATOM 0 H GLU A 18 6.512 -8.263 10.532 1.00 73.41 H new ATOM 0 HA GLU A 18 4.850 -7.357 8.237 1.00 41.41 H new ATOM 0 HB2 GLU A 18 5.160 -9.831 8.552 1.00 33.24 H new ATOM 0 HB3 GLU A 18 4.469 -9.687 10.156 1.00 33.24 H new ATOM 0 HG2 GLU A 18 2.331 -8.924 9.206 1.00 11.53 H new ATOM 0 HG3 GLU A 18 3.012 -8.947 7.591 1.00 11.53 H new ATOM 289 N THR A 19 3.546 -5.854 9.733 1.00 0.53 N ATOM 290 CA THR A 19 2.782 -4.934 10.593 1.00 43.31 C ATOM 291 C THR A 19 1.739 -4.139 9.795 1.00 74.02 C ATOM 292 O THR A 19 1.898 -3.940 8.591 1.00 23.50 O ATOM 293 CB THR A 19 3.725 -3.928 11.313 1.00 1.14 C ATOM 294 OG1 THR A 19 2.965 -3.039 12.147 1.00 23.33 O ATOM 295 CG2 THR A 19 4.539 -3.113 10.309 1.00 42.43 C ATOM 0 H THR A 19 3.646 -5.540 8.768 1.00 0.53 H new ATOM 0 HA THR A 19 2.270 -5.554 11.329 1.00 43.31 H new ATOM 0 HB THR A 19 4.414 -4.506 11.929 1.00 1.14 H new ATOM 0 HG1 THR A 19 3.571 -2.413 12.595 1.00 23.33 H new ATOM 0 HG21 THR A 19 5.188 -2.420 10.844 1.00 42.43 H new ATOM 0 HG22 THR A 19 5.147 -3.785 9.703 1.00 42.43 H new ATOM 0 HG23 THR A 19 3.864 -2.553 9.663 1.00 42.43 H new ATOM 303 N PRO A 20 0.636 -3.700 10.439 1.00 31.23 N ATOM 304 CA PRO A 20 -0.299 -2.743 9.824 1.00 52.14 C ATOM 305 C PRO A 20 0.310 -1.331 9.717 1.00 11.43 C ATOM 306 O PRO A 20 1.065 -0.903 10.592 1.00 72.22 O ATOM 307 CB PRO A 20 -1.500 -2.754 10.783 1.00 14.31 C ATOM 308 CG PRO A 20 -0.929 -3.162 12.102 1.00 51.55 C ATOM 309 CD PRO A 20 0.200 -4.113 11.790 1.00 13.32 C ATOM 0 HA PRO A 20 -0.560 -3.015 8.801 1.00 52.14 H new ATOM 0 HB2 PRO A 20 -1.969 -1.772 10.841 1.00 14.31 H new ATOM 0 HB3 PRO A 20 -2.266 -3.454 10.450 1.00 14.31 H new ATOM 0 HG2 PRO A 20 -0.567 -2.295 12.656 1.00 51.55 H new ATOM 0 HG3 PRO A 20 -1.685 -3.644 12.722 1.00 51.55 H new ATOM 0 HD2 PRO A 20 1.009 -4.028 12.516 1.00 13.32 H new ATOM 0 HD3 PRO A 20 -0.134 -5.151 11.804 1.00 13.32 H new ATOM 317 N VAL A 21 -0.015 -0.614 8.641 1.00 73.12 N ATOM 318 CA VAL A 21 0.545 0.725 8.396 1.00 51.31 C ATOM 319 C VAL A 21 -0.560 1.776 8.191 1.00 64.53 C ATOM 320 O VAL A 21 -1.712 1.442 7.913 1.00 65.02 O ATOM 321 CB VAL A 21 1.485 0.728 7.160 1.00 44.54 C ATOM 322 CG1 VAL A 21 2.672 -0.210 7.377 1.00 23.01 C ATOM 323 CG2 VAL A 21 0.721 0.350 5.890 1.00 4.22 C ATOM 0 H VAL A 21 -0.663 -0.934 7.922 1.00 73.12 H new ATOM 0 HA VAL A 21 1.120 0.987 9.285 1.00 51.31 H new ATOM 0 HB VAL A 21 1.870 1.740 7.034 1.00 44.54 H new ATOM 0 HG11 VAL A 21 3.316 -0.191 6.498 1.00 23.01 H new ATOM 0 HG12 VAL A 21 3.239 0.116 8.249 1.00 23.01 H new ATOM 0 HG13 VAL A 21 2.309 -1.225 7.539 1.00 23.01 H new ATOM 0 HG21 VAL A 21 1.402 0.360 5.039 1.00 4.22 H new ATOM 0 HG22 VAL A 21 0.297 -0.648 6.004 1.00 4.22 H new ATOM 0 HG23 VAL A 21 -0.081 1.068 5.721 1.00 4.22 H new ATOM 333 N THR A 22 -0.206 3.051 8.342 1.00 62.54 N ATOM 334 CA THR A 22 -1.149 4.162 8.129 1.00 31.23 C ATOM 335 C THR A 22 -0.425 5.379 7.536 1.00 11.13 C ATOM 336 O THR A 22 0.708 5.671 7.912 1.00 21.33 O ATOM 337 CB THR A 22 -1.847 4.582 9.452 1.00 1.33 C ATOM 338 OG1 THR A 22 -2.548 3.465 10.024 1.00 0.41 O ATOM 339 CG2 THR A 22 -2.833 5.726 9.225 1.00 24.44 C ATOM 0 H THR A 22 0.732 3.348 8.613 1.00 62.54 H new ATOM 0 HA THR A 22 -1.908 3.809 7.431 1.00 31.23 H new ATOM 0 HB THR A 22 -1.069 4.921 10.137 1.00 1.33 H new ATOM 0 HG1 THR A 22 -3.496 3.691 10.126 1.00 0.41 H new ATOM 0 HG21 THR A 22 -3.303 5.994 10.171 1.00 24.44 H new ATOM 0 HG22 THR A 22 -2.302 6.590 8.826 1.00 24.44 H new ATOM 0 HG23 THR A 22 -3.599 5.411 8.516 1.00 24.44 H new ATOM 347 N GLY A 23 -1.068 6.078 6.602 1.00 11.21 N ATOM 348 CA GLY A 23 -0.437 7.246 5.994 1.00 42.22 C ATOM 349 C GLY A 23 -1.387 8.104 5.165 1.00 70.51 C ATOM 350 O GLY A 23 -2.470 7.661 4.772 1.00 12.21 O ATOM 0 H GLY A 23 -2.003 5.863 6.257 1.00 11.21 H new ATOM 0 HA2 GLY A 23 -0.001 7.862 6.781 1.00 42.22 H new ATOM 0 HA3 GLY A 23 0.384 6.913 5.358 1.00 42.22 H new ATOM 354 N ARG A 24 -0.964 9.337 4.893 1.00 3.12 N ATOM 355 CA ARG A 24 -1.748 10.295 4.106 1.00 3.14 C ATOM 356 C ARG A 24 -1.511 10.084 2.600 1.00 62.12 C ATOM 357 O ARG A 24 -0.415 10.328 2.098 1.00 31.33 O ATOM 358 CB ARG A 24 -1.348 11.723 4.515 1.00 14.21 C ATOM 359 CG ARG A 24 -1.432 11.966 6.025 1.00 70.32 C ATOM 360 CD ARG A 24 -0.705 13.240 6.458 1.00 60.12 C ATOM 361 NE ARG A 24 -0.711 13.386 7.917 1.00 53.40 N ATOM 362 CZ ARG A 24 0.256 13.923 8.619 1.00 10.02 C ATOM 363 NH1 ARG A 24 1.296 14.436 8.045 1.00 51.32 N ATOM 364 NH2 ARG A 24 0.178 13.947 9.910 1.00 64.14 N ATOM 0 H ARG A 24 -0.067 9.703 5.211 1.00 3.12 H new ATOM 0 HA ARG A 24 -2.809 10.141 4.303 1.00 3.14 H new ATOM 0 HB2 ARG A 24 -0.330 11.918 4.179 1.00 14.21 H new ATOM 0 HB3 ARG A 24 -1.995 12.435 4.003 1.00 14.21 H new ATOM 0 HG2 ARG A 24 -2.479 12.031 6.321 1.00 70.32 H new ATOM 0 HG3 ARG A 24 -1.005 11.112 6.551 1.00 70.32 H new ATOM 0 HD2 ARG A 24 0.323 13.215 6.097 1.00 60.12 H new ATOM 0 HD3 ARG A 24 -1.182 14.107 6.001 1.00 60.12 H new ATOM 0 HE ARG A 24 -1.528 13.044 8.423 1.00 53.40 H new ATOM 0 HH11 ARG A 24 1.374 14.427 7.028 1.00 51.32 H new ATOM 0 HH12 ARG A 24 2.038 14.849 8.610 1.00 51.32 H new ATOM 0 HH21 ARG A 24 -0.635 13.548 10.379 1.00 64.14 H new ATOM 0 HH22 ARG A 24 0.930 14.365 10.459 1.00 64.14 H new ATOM 378 N VAL A 25 -2.538 9.639 1.882 1.00 34.03 N ATOM 379 CA VAL A 25 -2.400 9.296 0.460 1.00 61.42 C ATOM 380 C VAL A 25 -1.985 10.514 -0.384 1.00 13.11 C ATOM 381 O VAL A 25 -2.780 11.427 -0.621 1.00 60.13 O ATOM 382 CB VAL A 25 -3.714 8.706 -0.114 1.00 44.24 C ATOM 383 CG1 VAL A 25 -3.541 8.303 -1.578 1.00 40.20 C ATOM 384 CG2 VAL A 25 -4.187 7.519 0.723 1.00 53.31 C ATOM 0 H VAL A 25 -3.477 9.506 2.257 1.00 34.03 H new ATOM 0 HA VAL A 25 -1.615 8.542 0.403 1.00 61.42 H new ATOM 0 HB VAL A 25 -4.479 9.481 -0.067 1.00 44.24 H new ATOM 0 HG11 VAL A 25 -4.477 7.892 -1.955 1.00 40.20 H new ATOM 0 HG12 VAL A 25 -3.265 9.178 -2.166 1.00 40.20 H new ATOM 0 HG13 VAL A 25 -2.757 7.550 -1.658 1.00 40.20 H new ATOM 0 HG21 VAL A 25 -5.110 7.121 0.302 1.00 53.31 H new ATOM 0 HG22 VAL A 25 -3.422 6.743 0.718 1.00 53.31 H new ATOM 0 HG23 VAL A 25 -4.367 7.845 1.748 1.00 53.31 H new ATOM 394 N MET A 26 -0.733 10.517 -0.832 1.00 30.31 N ATOM 395 CA MET A 26 -0.187 11.619 -1.633 1.00 44.43 C ATOM 396 C MET A 26 -0.240 11.298 -3.135 1.00 20.32 C ATOM 397 O MET A 26 -0.677 12.123 -3.939 1.00 11.13 O ATOM 398 CB MET A 26 1.259 11.911 -1.203 1.00 54.33 C ATOM 399 CG MET A 26 1.926 13.036 -1.984 1.00 4.23 C ATOM 400 SD MET A 26 3.562 13.449 -1.350 1.00 54.12 S ATOM 401 CE MET A 26 4.421 11.889 -1.543 1.00 72.31 C ATOM 0 H MET A 26 -0.069 9.764 -0.654 1.00 30.31 H new ATOM 0 HA MET A 26 -0.801 12.503 -1.459 1.00 44.43 H new ATOM 0 HB2 MET A 26 1.267 12.165 -0.143 1.00 54.33 H new ATOM 0 HB3 MET A 26 1.851 11.003 -1.318 1.00 54.33 H new ATOM 0 HG2 MET A 26 2.009 12.746 -3.031 1.00 4.23 H new ATOM 0 HG3 MET A 26 1.293 13.922 -1.948 1.00 4.23 H new ATOM 0 HE1 MET A 26 5.496 12.054 -1.466 1.00 72.31 H new ATOM 0 HE2 MET A 26 4.103 11.199 -0.761 1.00 72.31 H new ATOM 0 HE3 MET A 26 4.188 11.464 -2.519 1.00 72.31 H new ATOM 411 N LYS A 27 0.212 10.101 -3.506 1.00 4.10 N ATOM 412 CA LYS A 27 0.226 9.670 -4.914 1.00 63.52 C ATOM 413 C LYS A 27 -0.404 8.279 -5.085 1.00 11.31 C ATOM 414 O LYS A 27 -0.197 7.388 -4.262 1.00 73.42 O ATOM 415 CB LYS A 27 1.665 9.644 -5.463 1.00 23.43 C ATOM 416 CG LYS A 27 2.355 11.006 -5.525 1.00 61.23 C ATOM 417 CD LYS A 27 1.530 12.024 -6.307 1.00 61.45 C ATOM 418 CE LYS A 27 2.384 13.159 -6.869 1.00 33.21 C ATOM 419 NZ LYS A 27 3.032 13.965 -5.805 1.00 62.03 N ATOM 0 H LYS A 27 0.576 9.407 -2.853 1.00 4.10 H new ATOM 0 HA LYS A 27 -0.365 10.393 -5.475 1.00 63.52 H new ATOM 0 HB2 LYS A 27 2.263 8.978 -4.841 1.00 23.43 H new ATOM 0 HB3 LYS A 27 1.648 9.216 -6.465 1.00 23.43 H new ATOM 0 HG2 LYS A 27 2.523 11.375 -4.513 1.00 61.23 H new ATOM 0 HG3 LYS A 27 3.334 10.897 -5.991 1.00 61.23 H new ATOM 0 HD2 LYS A 27 1.017 11.519 -7.126 1.00 61.45 H new ATOM 0 HD3 LYS A 27 0.760 12.440 -5.657 1.00 61.45 H new ATOM 0 HE2 LYS A 27 3.151 12.743 -7.522 1.00 33.21 H new ATOM 0 HE3 LYS A 27 1.760 13.809 -7.483 1.00 33.21 H new ATOM 0 HZ1 LYS A 27 3.599 14.721 -6.239 1.00 62.03 H new ATOM 0 HZ2 LYS A 27 2.302 14.386 -5.195 1.00 62.03 H new ATOM 0 HZ3 LYS A 27 3.650 13.354 -5.234 1.00 62.03 H new ATOM 433 N ILE A 28 -1.172 8.100 -6.157 1.00 65.20 N ATOM 434 CA ILE A 28 -1.731 6.787 -6.509 1.00 5.32 C ATOM 435 C ILE A 28 -1.344 6.394 -7.944 1.00 43.42 C ATOM 436 O ILE A 28 -1.770 7.030 -8.912 1.00 61.51 O ATOM 437 CB ILE A 28 -3.277 6.759 -6.370 1.00 71.54 C ATOM 438 CG1 ILE A 28 -3.688 6.999 -4.908 1.00 5.25 C ATOM 439 CG2 ILE A 28 -3.842 5.428 -6.877 1.00 72.34 C ATOM 440 CD1 ILE A 28 -5.186 6.991 -4.684 1.00 15.43 C ATOM 0 H ILE A 28 -1.425 8.848 -6.803 1.00 65.20 H new ATOM 0 HA ILE A 28 -1.309 6.068 -5.807 1.00 5.32 H new ATOM 0 HB ILE A 28 -3.692 7.560 -6.982 1.00 71.54 H new ATOM 0 HG12 ILE A 28 -3.232 6.232 -4.282 1.00 5.25 H new ATOM 0 HG13 ILE A 28 -3.286 7.958 -4.580 1.00 5.25 H new ATOM 0 HG21 ILE A 28 -4.927 5.429 -6.771 1.00 72.34 H new ATOM 0 HG22 ILE A 28 -3.580 5.298 -7.927 1.00 72.34 H new ATOM 0 HG23 ILE A 28 -3.421 4.609 -6.294 1.00 72.34 H new ATOM 0 HD11 ILE A 28 -5.397 7.167 -3.629 1.00 15.43 H new ATOM 0 HD12 ILE A 28 -5.648 7.777 -5.282 1.00 15.43 H new ATOM 0 HD13 ILE A 28 -5.593 6.024 -4.979 1.00 15.43 H new ATOM 452 N SER A 29 -0.520 5.359 -8.071 1.00 75.53 N ATOM 453 CA SER A 29 -0.111 4.843 -9.385 1.00 40.42 C ATOM 454 C SER A 29 -1.047 3.718 -9.839 1.00 15.25 C ATOM 455 O SER A 29 -1.282 2.757 -9.102 1.00 72.12 O ATOM 456 CB SER A 29 1.335 4.327 -9.337 1.00 61.14 C ATOM 457 OG SER A 29 2.243 5.358 -8.968 1.00 40.54 O ATOM 0 H SER A 29 -0.118 4.855 -7.280 1.00 75.53 H new ATOM 0 HA SER A 29 -0.171 5.662 -10.102 1.00 40.42 H new ATOM 0 HB2 SER A 29 1.406 3.505 -8.624 1.00 61.14 H new ATOM 0 HB3 SER A 29 1.613 3.928 -10.312 1.00 61.14 H new ATOM 0 HG SER A 29 3.154 4.998 -8.945 1.00 40.54 H new ATOM 463 N SER A 30 -1.575 3.843 -11.055 1.00 5.31 N ATOM 464 CA SER A 30 -2.526 2.863 -11.608 1.00 45.22 C ATOM 465 C SER A 30 -1.919 1.450 -11.685 1.00 4.35 C ATOM 466 O SER A 30 -0.704 1.297 -11.829 1.00 71.13 O ATOM 467 CB SER A 30 -2.992 3.307 -13.002 1.00 2.00 C ATOM 468 OG SER A 30 -3.662 4.559 -12.948 1.00 23.32 O ATOM 0 H SER A 30 -1.362 4.617 -11.685 1.00 5.31 H new ATOM 0 HA SER A 30 -3.380 2.820 -10.932 1.00 45.22 H new ATOM 0 HB2 SER A 30 -2.133 3.380 -13.669 1.00 2.00 H new ATOM 0 HB3 SER A 30 -3.658 2.553 -13.422 1.00 2.00 H new ATOM 0 HG SER A 30 -3.946 4.817 -13.850 1.00 23.32 H new ATOM 474 N PRO A 31 -2.764 0.398 -11.598 1.00 24.42 N ATOM 475 CA PRO A 31 -2.306 -1.004 -11.605 1.00 31.12 C ATOM 476 C PRO A 31 -1.330 -1.329 -12.753 1.00 23.02 C ATOM 477 O PRO A 31 -1.666 -1.218 -13.934 1.00 35.31 O ATOM 478 CB PRO A 31 -3.611 -1.820 -11.746 1.00 60.33 C ATOM 479 CG PRO A 31 -4.677 -0.823 -12.076 1.00 31.34 C ATOM 480 CD PRO A 31 -4.229 0.479 -11.478 1.00 51.51 C ATOM 0 HA PRO A 31 -1.740 -1.234 -10.703 1.00 31.12 H new ATOM 0 HB2 PRO A 31 -3.521 -2.571 -12.531 1.00 60.33 H new ATOM 0 HB3 PRO A 31 -3.843 -2.350 -10.822 1.00 60.33 H new ATOM 0 HG2 PRO A 31 -4.806 -0.733 -13.155 1.00 31.34 H new ATOM 0 HG3 PRO A 31 -5.639 -1.130 -11.665 1.00 31.34 H new ATOM 0 HD2 PRO A 31 -4.634 1.334 -12.019 1.00 51.51 H new ATOM 0 HD3 PRO A 31 -4.546 0.579 -10.440 1.00 51.51 H new ATOM 488 N ARG A 32 -0.128 -1.756 -12.381 1.00 60.24 N ATOM 489 CA ARG A 32 0.921 -2.120 -13.338 1.00 14.24 C ATOM 490 C ARG A 32 0.860 -3.625 -13.641 1.00 20.03 C ATOM 491 O ARG A 32 1.054 -4.460 -12.755 1.00 54.23 O ATOM 492 CB ARG A 32 2.290 -1.738 -12.750 1.00 45.32 C ATOM 493 CG ARG A 32 3.493 -2.150 -13.595 1.00 53.35 C ATOM 494 CD ARG A 32 4.804 -1.807 -12.890 1.00 43.14 C ATOM 495 NE ARG A 32 5.979 -2.268 -13.627 1.00 21.42 N ATOM 496 CZ ARG A 32 7.114 -2.592 -13.063 1.00 62.45 C ATOM 497 NH1 ARG A 32 7.270 -2.497 -11.781 1.00 53.13 N ATOM 498 NH2 ARG A 32 8.104 -2.996 -13.785 1.00 63.42 N ATOM 0 H ARG A 32 0.151 -1.861 -11.406 1.00 60.24 H new ATOM 0 HA ARG A 32 0.771 -1.581 -14.273 1.00 14.24 H new ATOM 0 HB2 ARG A 32 2.318 -0.658 -12.607 1.00 45.32 H new ATOM 0 HB3 ARG A 32 2.385 -2.193 -11.764 1.00 45.32 H new ATOM 0 HG2 ARG A 32 3.452 -3.221 -13.793 1.00 53.35 H new ATOM 0 HG3 ARG A 32 3.453 -1.646 -14.560 1.00 53.35 H new ATOM 0 HD2 ARG A 32 4.867 -0.727 -12.753 1.00 43.14 H new ATOM 0 HD3 ARG A 32 4.805 -2.255 -11.896 1.00 43.14 H new ATOM 0 HE ARG A 32 5.910 -2.341 -14.642 1.00 21.42 H new ATOM 0 HH11 ARG A 32 6.502 -2.166 -11.197 1.00 53.13 H new ATOM 0 HH12 ARG A 32 8.161 -2.753 -11.355 1.00 53.13 H new ATOM 0 HH21 ARG A 32 8.003 -3.063 -14.798 1.00 63.42 H new ATOM 0 HH22 ARG A 32 8.988 -3.248 -13.343 1.00 63.42 H new ATOM 512 N THR A 33 0.574 -3.961 -14.895 1.00 30.13 N ATOM 513 CA THR A 33 0.325 -5.354 -15.292 1.00 51.41 C ATOM 514 C THR A 33 1.611 -6.084 -15.701 1.00 51.03 C ATOM 515 O THR A 33 2.503 -5.507 -16.326 1.00 12.21 O ATOM 516 CB THR A 33 -0.688 -5.425 -16.466 1.00 55.12 C ATOM 517 OG1 THR A 33 -1.837 -4.609 -16.176 1.00 51.33 O ATOM 518 CG2 THR A 33 -1.147 -6.860 -16.723 1.00 4.44 C ATOM 0 H THR A 33 0.507 -3.290 -15.660 1.00 30.13 H new ATOM 0 HA THR A 33 -0.089 -5.851 -14.415 1.00 51.41 H new ATOM 0 HB THR A 33 -0.183 -5.056 -17.359 1.00 55.12 H new ATOM 0 HG1 THR A 33 -2.470 -4.658 -16.922 1.00 51.33 H new ATOM 0 HG21 THR A 33 -1.855 -6.873 -17.551 1.00 4.44 H new ATOM 0 HG22 THR A 33 -0.285 -7.478 -16.973 1.00 4.44 H new ATOM 0 HG23 THR A 33 -1.628 -7.254 -15.828 1.00 4.44 H new ATOM 526 N PHE A 34 1.690 -7.359 -15.336 1.00 54.24 N ATOM 527 CA PHE A 34 2.808 -8.229 -15.712 1.00 53.34 C ATOM 528 C PHE A 34 2.291 -9.644 -16.013 1.00 65.41 C ATOM 529 O PHE A 34 1.199 -10.010 -15.586 1.00 30.32 O ATOM 530 CB PHE A 34 3.861 -8.273 -14.589 1.00 4.00 C ATOM 531 CG PHE A 34 3.330 -8.772 -13.261 1.00 64.04 C ATOM 532 CD1 PHE A 34 3.279 -10.133 -12.984 1.00 71.21 C ATOM 533 CD2 PHE A 34 2.881 -7.882 -12.294 1.00 54.35 C ATOM 534 CE1 PHE A 34 2.792 -10.592 -11.774 1.00 64.41 C ATOM 535 CE2 PHE A 34 2.395 -8.340 -11.083 1.00 73.24 C ATOM 536 CZ PHE A 34 2.349 -9.694 -10.824 1.00 41.10 C ATOM 0 H PHE A 34 0.980 -7.823 -14.769 1.00 54.24 H new ATOM 0 HA PHE A 34 3.279 -7.825 -16.608 1.00 53.34 H new ATOM 0 HB2 PHE A 34 4.684 -8.915 -14.903 1.00 4.00 H new ATOM 0 HB3 PHE A 34 4.271 -7.273 -14.451 1.00 4.00 H new ATOM 0 HD1 PHE A 34 3.624 -10.841 -13.723 1.00 71.21 H new ATOM 0 HD2 PHE A 34 2.912 -6.820 -12.490 1.00 54.35 H new ATOM 0 HE1 PHE A 34 2.758 -11.652 -11.572 1.00 64.41 H new ATOM 0 HE2 PHE A 34 2.051 -7.637 -10.339 1.00 73.24 H new ATOM 0 HZ PHE A 34 1.967 -10.051 -9.879 1.00 41.10 H new ATOM 666 N GLY A 42 -2.282 -10.797 -13.503 1.00 54.25 N ATOM 667 CA GLY A 42 -1.042 -10.356 -12.860 1.00 14.53 C ATOM 668 C GLY A 42 -0.865 -8.837 -12.845 1.00 21.14 C ATOM 669 O GLY A 42 -0.605 -8.224 -13.878 1.00 20.40 O ATOM 0 HA2 GLY A 42 -1.023 -10.725 -11.835 1.00 14.53 H new ATOM 0 HA3 GLY A 42 -0.195 -10.807 -13.377 1.00 14.53 H new ATOM 673 N LYS A 43 -0.992 -8.227 -11.664 1.00 45.53 N ATOM 674 CA LYS A 43 -0.874 -6.765 -11.520 1.00 72.13 C ATOM 675 C LYS A 43 -0.295 -6.360 -10.157 1.00 42.35 C ATOM 676 O LYS A 43 -0.377 -7.108 -9.181 1.00 50.30 O ATOM 677 CB LYS A 43 -2.242 -6.085 -11.706 1.00 61.02 C ATOM 678 CG LYS A 43 -2.752 -6.097 -13.141 1.00 51.41 C ATOM 679 CD LYS A 43 -4.173 -5.556 -13.245 1.00 45.03 C ATOM 680 CE LYS A 43 -4.584 -5.344 -14.695 1.00 44.23 C ATOM 681 NZ LYS A 43 -6.049 -5.160 -14.842 1.00 11.21 N ATOM 0 H LYS A 43 -1.177 -8.719 -10.790 1.00 45.53 H new ATOM 0 HA LYS A 43 -0.186 -6.432 -12.298 1.00 72.13 H new ATOM 0 HB2 LYS A 43 -2.973 -6.582 -11.068 1.00 61.02 H new ATOM 0 HB3 LYS A 43 -2.172 -5.052 -11.365 1.00 61.02 H new ATOM 0 HG2 LYS A 43 -2.089 -5.499 -13.767 1.00 51.41 H new ATOM 0 HG3 LYS A 43 -2.722 -7.116 -13.528 1.00 51.41 H new ATOM 0 HD2 LYS A 43 -4.864 -6.251 -12.768 1.00 45.03 H new ATOM 0 HD3 LYS A 43 -4.245 -4.613 -12.704 1.00 45.03 H new ATOM 0 HE2 LYS A 43 -4.068 -4.470 -15.093 1.00 44.23 H new ATOM 0 HE3 LYS A 43 -4.266 -6.200 -15.290 1.00 44.23 H new ATOM 0 HZ1 LYS A 43 -6.282 -5.019 -15.846 1.00 11.21 H new ATOM 0 HZ2 LYS A 43 -6.542 -6.004 -14.487 1.00 11.21 H new ATOM 0 HZ3 LYS A 43 -6.351 -4.328 -14.296 1.00 11.21 H new ATOM 695 N LEU A 44 0.298 -5.170 -10.117 1.00 31.32 N ATOM 696 CA LEU A 44 0.777 -4.563 -8.872 1.00 15.41 C ATOM 697 C LEU A 44 0.678 -3.031 -8.964 1.00 14.01 C ATOM 698 O LEU A 44 1.024 -2.442 -9.986 1.00 12.30 O ATOM 699 CB LEU A 44 2.221 -5.026 -8.560 1.00 73.31 C ATOM 700 CG LEU A 44 3.306 -4.686 -9.610 1.00 62.24 C ATOM 701 CD1 LEU A 44 3.874 -3.281 -9.401 1.00 60.32 C ATOM 702 CD2 LEU A 44 4.430 -5.724 -9.586 1.00 50.11 C ATOM 0 H LEU A 44 0.461 -4.597 -10.945 1.00 31.32 H new ATOM 0 HA LEU A 44 0.146 -4.893 -8.047 1.00 15.41 H new ATOM 0 HB2 LEU A 44 2.520 -4.587 -7.608 1.00 73.31 H new ATOM 0 HB3 LEU A 44 2.209 -6.107 -8.422 1.00 73.31 H new ATOM 0 HG LEU A 44 2.829 -4.710 -10.590 1.00 62.24 H new ATOM 0 HD11 LEU A 44 4.633 -3.079 -10.157 1.00 60.32 H new ATOM 0 HD12 LEU A 44 3.072 -2.548 -9.487 1.00 60.32 H new ATOM 0 HD13 LEU A 44 4.323 -3.214 -8.410 1.00 60.32 H new ATOM 0 HD21 LEU A 44 5.181 -5.464 -10.332 1.00 50.11 H new ATOM 0 HD22 LEU A 44 4.890 -5.739 -8.598 1.00 50.11 H new ATOM 0 HD23 LEU A 44 4.021 -6.709 -9.811 1.00 50.11 H new ATOM 714 N ALA A 45 0.176 -2.389 -7.916 1.00 21.41 N ATOM 715 CA ALA A 45 -0.014 -0.931 -7.918 1.00 54.11 C ATOM 716 C ALA A 45 0.808 -0.245 -6.818 1.00 71.23 C ATOM 717 O ALA A 45 0.978 -0.788 -5.729 1.00 12.41 O ATOM 718 CB ALA A 45 -1.494 -0.591 -7.760 1.00 12.44 C ATOM 0 H ALA A 45 -0.109 -2.849 -7.051 1.00 21.41 H new ATOM 0 HA ALA A 45 0.342 -0.555 -8.877 1.00 54.11 H new ATOM 0 HB1 ALA A 45 -1.621 0.492 -7.763 1.00 12.44 H new ATOM 0 HB2 ALA A 45 -2.057 -1.025 -8.586 1.00 12.44 H new ATOM 0 HB3 ALA A 45 -1.862 -0.997 -6.818 1.00 12.44 H new ATOM 724 N ASN A 46 1.308 0.957 -7.106 1.00 13.04 N ATOM 725 CA ASN A 46 2.106 1.717 -6.135 1.00 15.45 C ATOM 726 C ASN A 46 1.307 2.898 -5.562 1.00 54.44 C ATOM 727 O ASN A 46 1.015 3.861 -6.267 1.00 71.34 O ATOM 728 CB ASN A 46 3.392 2.245 -6.790 1.00 33.42 C ATOM 729 CG ASN A 46 4.295 1.137 -7.300 1.00 61.24 C ATOM 730 OD1 ASN A 46 5.159 0.643 -6.584 1.00 2.11 O ATOM 731 ND2 ASN A 46 4.126 0.756 -8.551 1.00 71.54 N ATOM 0 H ASN A 46 1.177 1.427 -8.001 1.00 13.04 H new ATOM 0 HA ASN A 46 2.364 1.040 -5.321 1.00 15.45 H new ATOM 0 HB2 ASN A 46 3.128 2.902 -7.619 1.00 33.42 H new ATOM 0 HB3 ASN A 46 3.940 2.849 -6.067 1.00 33.42 H new ATOM 0 HD21 ASN A 46 4.723 0.031 -8.948 1.00 71.54 H new ATOM 0 HD22 ASN A 46 3.398 1.186 -9.121 1.00 71.54 H new ATOM 738 N VAL A 47 0.952 2.820 -4.285 1.00 53.23 N ATOM 739 CA VAL A 47 0.275 3.926 -3.598 1.00 0.40 C ATOM 740 C VAL A 47 1.217 4.589 -2.585 1.00 32.23 C ATOM 741 O VAL A 47 1.620 3.974 -1.598 1.00 72.00 O ATOM 742 CB VAL A 47 -1.014 3.448 -2.878 1.00 4.41 C ATOM 743 CG1 VAL A 47 -1.687 4.601 -2.128 1.00 51.52 C ATOM 744 CG2 VAL A 47 -1.981 2.816 -3.881 1.00 4.23 C ATOM 0 H VAL A 47 1.120 2.003 -3.699 1.00 53.23 H new ATOM 0 HA VAL A 47 -0.008 4.655 -4.358 1.00 0.40 H new ATOM 0 HB VAL A 47 -0.733 2.693 -2.144 1.00 4.41 H new ATOM 0 HG11 VAL A 47 -2.587 4.237 -1.633 1.00 51.52 H new ATOM 0 HG12 VAL A 47 -1.000 5.001 -1.382 1.00 51.52 H new ATOM 0 HG13 VAL A 47 -1.954 5.388 -2.834 1.00 51.52 H new ATOM 0 HG21 VAL A 47 -2.880 2.486 -3.361 1.00 4.23 H new ATOM 0 HG22 VAL A 47 -2.250 3.551 -4.640 1.00 4.23 H new ATOM 0 HG23 VAL A 47 -1.503 1.960 -4.358 1.00 4.23 H new ATOM 754 N ILE A 48 1.564 5.846 -2.834 1.00 64.50 N ATOM 755 CA ILE A 48 2.509 6.570 -1.983 1.00 44.20 C ATOM 756 C ILE A 48 1.779 7.360 -0.888 1.00 11.20 C ATOM 757 O ILE A 48 1.134 8.381 -1.156 1.00 2.43 O ATOM 758 CB ILE A 48 3.388 7.542 -2.813 1.00 15.43 C ATOM 759 CG1 ILE A 48 4.080 6.796 -3.972 1.00 72.34 C ATOM 760 CG2 ILE A 48 4.424 8.231 -1.919 1.00 14.13 C ATOM 761 CD1 ILE A 48 5.016 5.688 -3.529 1.00 35.45 C ATOM 0 H ILE A 48 1.206 6.389 -3.620 1.00 64.50 H new ATOM 0 HA ILE A 48 3.151 5.822 -1.517 1.00 44.20 H new ATOM 0 HB ILE A 48 2.740 8.308 -3.239 1.00 15.43 H new ATOM 0 HG12 ILE A 48 3.316 6.372 -4.623 1.00 72.34 H new ATOM 0 HG13 ILE A 48 4.643 7.515 -4.567 1.00 72.34 H new ATOM 0 HG21 ILE A 48 5.030 8.908 -2.520 1.00 14.13 H new ATOM 0 HG22 ILE A 48 3.913 8.796 -1.139 1.00 14.13 H new ATOM 0 HG23 ILE A 48 5.066 7.479 -1.461 1.00 14.13 H new ATOM 0 HD11 ILE A 48 5.460 5.215 -4.405 1.00 35.45 H new ATOM 0 HD12 ILE A 48 5.804 6.106 -2.903 1.00 35.45 H new ATOM 0 HD13 ILE A 48 4.457 4.945 -2.960 1.00 35.45 H new ATOM 773 N ILE A 49 1.882 6.873 0.346 1.00 10.22 N ATOM 774 CA ILE A 49 1.270 7.530 1.506 1.00 45.43 C ATOM 775 C ILE A 49 2.342 8.227 2.358 1.00 20.24 C ATOM 776 O ILE A 49 3.443 7.712 2.520 1.00 44.03 O ATOM 777 CB ILE A 49 0.482 6.515 2.376 1.00 64.23 C ATOM 778 CG1 ILE A 49 1.397 5.365 2.844 1.00 70.32 C ATOM 779 CG2 ILE A 49 -0.720 5.970 1.603 1.00 40.51 C ATOM 780 CD1 ILE A 49 0.698 4.325 3.699 1.00 24.23 C ATOM 0 H ILE A 49 2.388 6.017 0.573 1.00 10.22 H new ATOM 0 HA ILE A 49 0.570 8.277 1.132 1.00 45.43 H new ATOM 0 HB ILE A 49 0.116 7.035 3.261 1.00 64.23 H new ATOM 0 HG12 ILE A 49 1.822 4.874 1.968 1.00 70.32 H new ATOM 0 HG13 ILE A 49 2.229 5.784 3.409 1.00 70.32 H new ATOM 0 HG21 ILE A 49 -1.262 5.259 2.227 1.00 40.51 H new ATOM 0 HG22 ILE A 49 -1.381 6.793 1.331 1.00 40.51 H new ATOM 0 HG23 ILE A 49 -0.374 5.469 0.699 1.00 40.51 H new ATOM 0 HD11 ILE A 49 1.410 3.552 3.986 1.00 24.23 H new ATOM 0 HD12 ILE A 49 0.297 4.800 4.595 1.00 24.23 H new ATOM 0 HD13 ILE A 49 -0.117 3.875 3.131 1.00 24.23 H new ATOM 792 N ALA A 50 2.023 9.398 2.895 1.00 14.24 N ATOM 793 CA ALA A 50 3.017 10.222 3.590 1.00 11.42 C ATOM 794 C ALA A 50 2.663 10.470 5.063 1.00 11.51 C ATOM 795 O ALA A 50 1.506 10.703 5.415 1.00 61.12 O ATOM 796 CB ALA A 50 3.184 11.554 2.864 1.00 52.22 C ATOM 0 H ALA A 50 1.087 9.802 2.865 1.00 14.24 H new ATOM 0 HA ALA A 50 3.955 9.667 3.578 1.00 11.42 H new ATOM 0 HB1 ALA A 50 3.924 12.162 3.385 1.00 52.22 H new ATOM 0 HB2 ALA A 50 3.518 11.372 1.842 1.00 52.22 H new ATOM 0 HB3 ALA A 50 2.230 12.080 2.845 1.00 52.22 H new ATOM 802 N ASP A 51 3.679 10.404 5.912 1.00 54.30 N ATOM 803 CA ASP A 51 3.563 10.767 7.325 1.00 54.15 C ATOM 804 C ASP A 51 4.585 11.869 7.647 1.00 63.21 C ATOM 805 O ASP A 51 5.489 12.133 6.852 1.00 11.25 O ATOM 806 CB ASP A 51 3.798 9.529 8.207 1.00 22.44 C ATOM 807 CG ASP A 51 3.757 9.840 9.695 1.00 12.44 C ATOM 808 OD1 ASP A 51 2.661 10.123 10.220 1.00 41.55 O ATOM 809 OD2 ASP A 51 4.826 9.826 10.338 1.00 5.31 O ATOM 0 H ASP A 51 4.613 10.096 5.643 1.00 54.30 H new ATOM 0 HA ASP A 51 2.560 11.143 7.529 1.00 54.15 H new ATOM 0 HB2 ASP A 51 3.042 8.778 7.978 1.00 22.44 H new ATOM 0 HB3 ASP A 51 4.766 9.092 7.960 1.00 22.44 H new ATOM 814 N ASP A 52 4.449 12.506 8.805 1.00 43.14 N ATOM 815 CA ASP A 52 5.380 13.562 9.213 1.00 52.22 C ATOM 816 C ASP A 52 6.827 13.032 9.315 1.00 54.22 C ATOM 817 O ASP A 52 7.788 13.797 9.223 1.00 73.24 O ATOM 818 CB ASP A 52 4.943 14.162 10.555 1.00 61.22 C ATOM 819 CG ASP A 52 3.499 14.642 10.529 1.00 44.01 C ATOM 820 OD1 ASP A 52 3.204 15.638 9.835 1.00 32.32 O ATOM 821 OD2 ASP A 52 2.646 14.023 11.191 1.00 55.22 O ATOM 0 H ASP A 52 3.707 12.314 9.478 1.00 43.14 H new ATOM 0 HA ASP A 52 5.361 14.338 8.448 1.00 52.22 H new ATOM 0 HB2 ASP A 52 5.061 13.415 11.340 1.00 61.22 H new ATOM 0 HB3 ASP A 52 5.597 14.997 10.808 1.00 61.22 H new ATOM 826 N THR A 53 6.976 11.715 9.495 1.00 51.01 N ATOM 827 CA THR A 53 8.305 11.094 9.645 1.00 1.21 C ATOM 828 C THR A 53 8.829 10.478 8.331 1.00 40.41 C ATOM 829 O THR A 53 9.962 9.990 8.281 1.00 64.24 O ATOM 830 CB THR A 53 8.293 9.990 10.731 1.00 1.30 C ATOM 831 OG1 THR A 53 7.543 8.849 10.277 1.00 41.54 O ATOM 832 CG2 THR A 53 7.693 10.504 12.038 1.00 25.45 C ATOM 0 H THR A 53 6.198 11.057 9.541 1.00 51.01 H new ATOM 0 HA THR A 53 8.972 11.904 9.940 1.00 1.21 H new ATOM 0 HB THR A 53 9.327 9.697 10.915 1.00 1.30 H new ATOM 0 HG1 THR A 53 6.590 9.076 10.244 1.00 41.54 H new ATOM 0 HG21 THR A 53 7.699 9.705 12.780 1.00 25.45 H new ATOM 0 HG22 THR A 53 8.284 11.344 12.404 1.00 25.45 H new ATOM 0 HG23 THR A 53 6.668 10.830 11.864 1.00 25.45 H new ATOM 840 N GLY A 54 8.017 10.502 7.270 1.00 24.14 N ATOM 841 CA GLY A 54 8.433 9.914 5.990 1.00 50.30 C ATOM 842 C GLY A 54 7.277 9.324 5.183 1.00 31.33 C ATOM 843 O GLY A 54 6.173 9.154 5.699 1.00 53.54 O ATOM 0 H GLY A 54 7.084 10.914 7.268 1.00 24.14 H new ATOM 0 HA2 GLY A 54 8.929 10.679 5.393 1.00 50.30 H new ATOM 0 HA3 GLY A 54 9.168 9.132 6.181 1.00 50.30 H new ATOM 847 N GLU A 55 7.531 9.013 3.908 1.00 44.40 N ATOM 848 CA GLU A 55 6.507 8.431 3.027 1.00 45.30 C ATOM 849 C GLU A 55 6.727 6.920 2.833 1.00 43.32 C ATOM 850 O GLU A 55 7.808 6.395 3.104 1.00 70.40 O ATOM 851 CB GLU A 55 6.504 9.127 1.651 1.00 51.50 C ATOM 852 CG GLU A 55 6.556 10.655 1.714 1.00 3.12 C ATOM 853 CD GLU A 55 7.971 11.206 1.572 1.00 22.32 C ATOM 854 OE1 GLU A 55 8.801 10.985 2.476 1.00 70.04 O ATOM 855 OE2 GLU A 55 8.259 11.849 0.539 1.00 63.24 O ATOM 0 H GLU A 55 8.437 9.154 3.460 1.00 44.40 H new ATOM 0 HA GLU A 55 5.542 8.586 3.510 1.00 45.30 H new ATOM 0 HB2 GLU A 55 7.358 8.770 1.075 1.00 51.50 H new ATOM 0 HB3 GLU A 55 5.607 8.828 1.109 1.00 51.50 H new ATOM 0 HG2 GLU A 55 5.929 11.068 0.923 1.00 3.12 H new ATOM 0 HG3 GLU A 55 6.135 10.989 2.662 1.00 3.12 H new ATOM 862 N LEU A 56 5.699 6.231 2.345 1.00 72.32 N ATOM 863 CA LEU A 56 5.742 4.774 2.168 1.00 33.02 C ATOM 864 C LEU A 56 5.127 4.350 0.824 1.00 10.54 C ATOM 865 O LEU A 56 4.134 4.926 0.373 1.00 72.05 O ATOM 866 CB LEU A 56 4.983 4.087 3.314 1.00 24.45 C ATOM 867 CG LEU A 56 4.880 2.552 3.212 1.00 44.13 C ATOM 868 CD1 LEU A 56 6.261 1.910 3.304 1.00 55.44 C ATOM 869 CD2 LEU A 56 3.959 1.994 4.292 1.00 35.54 C ATOM 0 H LEU A 56 4.817 6.658 2.062 1.00 72.32 H new ATOM 0 HA LEU A 56 6.788 4.469 2.177 1.00 33.02 H new ATOM 0 HB2 LEU A 56 5.473 4.340 4.254 1.00 24.45 H new ATOM 0 HB3 LEU A 56 3.975 4.500 3.359 1.00 24.45 H new ATOM 0 HG LEU A 56 4.451 2.309 2.240 1.00 44.13 H new ATOM 0 HD11 LEU A 56 6.164 0.827 3.230 1.00 55.44 H new ATOM 0 HD12 LEU A 56 6.887 2.275 2.490 1.00 55.44 H new ATOM 0 HD13 LEU A 56 6.720 2.169 4.258 1.00 55.44 H new ATOM 0 HD21 LEU A 56 3.903 0.909 4.198 1.00 35.54 H new ATOM 0 HD22 LEU A 56 4.352 2.253 5.275 1.00 35.54 H new ATOM 0 HD23 LEU A 56 2.962 2.420 4.176 1.00 35.54 H new ATOM 881 N ARG A 57 5.723 3.339 0.192 1.00 73.41 N ATOM 882 CA ARG A 57 5.192 2.766 -1.048 1.00 42.24 C ATOM 883 C ARG A 57 4.318 1.534 -0.752 1.00 64.11 C ATOM 884 O ARG A 57 4.830 0.443 -0.502 1.00 14.42 O ATOM 885 CB ARG A 57 6.346 2.368 -1.982 1.00 32.22 C ATOM 886 CG ARG A 57 5.895 1.742 -3.302 1.00 61.20 C ATOM 887 CD ARG A 57 7.069 1.170 -4.093 1.00 62.22 C ATOM 888 NE ARG A 57 8.092 2.180 -4.365 1.00 54.11 N ATOM 889 CZ ARG A 57 8.293 2.729 -5.531 1.00 65.12 C ATOM 890 NH1 ARG A 57 7.570 2.386 -6.553 1.00 2.25 N ATOM 891 NH2 ARG A 57 9.221 3.623 -5.670 1.00 30.11 N ATOM 0 H ARG A 57 6.581 2.896 0.521 1.00 73.41 H new ATOM 0 HA ARG A 57 4.576 3.522 -1.535 1.00 42.24 H new ATOM 0 HB2 ARG A 57 6.945 3.252 -2.198 1.00 32.22 H new ATOM 0 HB3 ARG A 57 6.994 1.663 -1.461 1.00 32.22 H new ATOM 0 HG2 ARG A 57 5.173 0.950 -3.100 1.00 61.20 H new ATOM 0 HG3 ARG A 57 5.384 2.493 -3.904 1.00 61.20 H new ATOM 0 HD2 ARG A 57 7.513 0.345 -3.536 1.00 62.22 H new ATOM 0 HD3 ARG A 57 6.706 0.760 -5.035 1.00 62.22 H new ATOM 0 HE ARG A 57 8.688 2.474 -3.591 1.00 54.11 H new ATOM 0 HH11 ARG A 57 6.839 1.683 -6.447 1.00 2.25 H new ATOM 0 HH12 ARG A 57 7.733 2.820 -7.462 1.00 2.25 H new ATOM 0 HH21 ARG A 57 9.791 3.895 -4.869 1.00 30.11 H new ATOM 0 HH22 ARG A 57 9.381 4.055 -6.580 1.00 30.11 H new ATOM 905 N ALA A 58 3.004 1.719 -0.764 1.00 33.21 N ATOM 906 CA ALA A 58 2.063 0.616 -0.553 1.00 73.21 C ATOM 907 C ALA A 58 1.809 -0.147 -1.862 1.00 70.33 C ATOM 908 O ALA A 58 1.219 0.390 -2.799 1.00 32.00 O ATOM 909 CB ALA A 58 0.754 1.147 0.020 1.00 71.33 C ATOM 0 H ALA A 58 2.560 2.624 -0.918 1.00 33.21 H new ATOM 0 HA ALA A 58 2.503 -0.080 0.161 1.00 73.21 H new ATOM 0 HB1 ALA A 58 0.062 0.319 0.173 1.00 71.33 H new ATOM 0 HB2 ALA A 58 0.947 1.639 0.973 1.00 71.33 H new ATOM 0 HB3 ALA A 58 0.316 1.863 -0.676 1.00 71.33 H new ATOM 915 N VAL A 59 2.268 -1.395 -1.927 1.00 12.12 N ATOM 916 CA VAL A 59 2.147 -2.203 -3.144 1.00 2.14 C ATOM 917 C VAL A 59 0.877 -3.070 -3.130 1.00 70.43 C ATOM 918 O VAL A 59 0.784 -4.058 -2.393 1.00 2.15 O ATOM 919 CB VAL A 59 3.387 -3.113 -3.337 1.00 1.42 C ATOM 920 CG1 VAL A 59 3.280 -3.921 -4.631 1.00 30.25 C ATOM 921 CG2 VAL A 59 4.670 -2.283 -3.316 1.00 22.22 C ATOM 0 H VAL A 59 2.728 -1.871 -1.151 1.00 12.12 H new ATOM 0 HA VAL A 59 2.081 -1.504 -3.978 1.00 2.14 H new ATOM 0 HB VAL A 59 3.423 -3.819 -2.507 1.00 1.42 H new ATOM 0 HG11 VAL A 59 4.163 -4.550 -4.741 1.00 30.25 H new ATOM 0 HG12 VAL A 59 2.389 -4.548 -4.596 1.00 30.25 H new ATOM 0 HG13 VAL A 59 3.211 -3.241 -5.480 1.00 30.25 H new ATOM 0 HG21 VAL A 59 5.530 -2.939 -3.453 1.00 22.22 H new ATOM 0 HG22 VAL A 59 4.642 -1.549 -4.121 1.00 22.22 H new ATOM 0 HG23 VAL A 59 4.755 -1.768 -2.359 1.00 22.22 H new ATOM 931 N PHE A 60 -0.096 -2.695 -3.958 1.00 24.14 N ATOM 932 CA PHE A 60 -1.345 -3.449 -4.089 1.00 32.30 C ATOM 933 C PHE A 60 -1.248 -4.477 -5.228 1.00 40.13 C ATOM 934 O PHE A 60 -1.310 -4.128 -6.406 1.00 13.42 O ATOM 935 CB PHE A 60 -2.527 -2.498 -4.348 1.00 25.55 C ATOM 936 CG PHE A 60 -2.907 -1.638 -3.164 1.00 21.20 C ATOM 937 CD1 PHE A 60 -2.024 -0.696 -2.655 1.00 45.13 C ATOM 938 CD2 PHE A 60 -4.155 -1.766 -2.567 1.00 24.21 C ATOM 939 CE1 PHE A 60 -2.377 0.094 -1.578 1.00 43.11 C ATOM 940 CE2 PHE A 60 -4.510 -0.977 -1.488 1.00 4.41 C ATOM 941 CZ PHE A 60 -3.619 -0.046 -0.994 1.00 4.35 C ATOM 0 H PHE A 60 -0.044 -1.868 -4.553 1.00 24.14 H new ATOM 0 HA PHE A 60 -1.514 -3.979 -3.152 1.00 32.30 H new ATOM 0 HB2 PHE A 60 -2.278 -1.849 -5.188 1.00 25.55 H new ATOM 0 HB3 PHE A 60 -3.394 -3.088 -4.646 1.00 25.55 H new ATOM 0 HD1 PHE A 60 -1.050 -0.579 -3.106 1.00 45.13 H new ATOM 0 HD2 PHE A 60 -4.857 -2.491 -2.951 1.00 24.21 H new ATOM 0 HE1 PHE A 60 -1.679 0.823 -1.192 1.00 43.11 H new ATOM 0 HE2 PHE A 60 -5.483 -1.089 -1.033 1.00 4.41 H new ATOM 0 HZ PHE A 60 -3.894 0.572 -0.152 1.00 4.35 H new ATOM 951 N TRP A 61 -1.084 -5.739 -4.861 1.00 2.44 N ATOM 952 CA TRP A 61 -1.027 -6.838 -5.831 1.00 23.43 C ATOM 953 C TRP A 61 -2.405 -7.115 -6.455 1.00 54.42 C ATOM 954 O TRP A 61 -3.421 -6.660 -5.943 1.00 65.43 O ATOM 955 CB TRP A 61 -0.454 -8.099 -5.170 1.00 22.30 C ATOM 956 CG TRP A 61 0.995 -7.949 -4.794 1.00 4.14 C ATOM 957 CD1 TRP A 61 1.502 -7.561 -3.584 1.00 74.31 C ATOM 958 CD2 TRP A 61 2.126 -8.165 -5.648 1.00 52.33 C ATOM 959 NE1 TRP A 61 2.875 -7.527 -3.637 1.00 74.01 N ATOM 960 CE2 TRP A 61 3.281 -7.892 -4.893 1.00 15.23 C ATOM 961 CE3 TRP A 61 2.272 -8.558 -6.981 1.00 3.02 C ATOM 962 CZ2 TRP A 61 4.564 -8.010 -5.423 1.00 5.33 C ATOM 963 CZ3 TRP A 61 3.545 -8.674 -7.507 1.00 4.20 C ATOM 964 CH2 TRP A 61 4.676 -8.397 -6.729 1.00 24.20 C ATOM 0 H TRP A 61 -0.987 -6.036 -3.890 1.00 2.44 H new ATOM 0 HA TRP A 61 -0.363 -6.539 -6.642 1.00 23.43 H new ATOM 0 HB2 TRP A 61 -1.035 -8.332 -4.278 1.00 22.30 H new ATOM 0 HB3 TRP A 61 -0.563 -8.943 -5.851 1.00 22.30 H new ATOM 0 HD1 TRP A 61 0.910 -7.317 -2.714 1.00 74.31 H new ATOM 0 HE1 TRP A 61 3.492 -7.271 -2.866 1.00 74.01 H new ATOM 0 HE3 TRP A 61 1.405 -8.768 -7.590 1.00 3.02 H new ATOM 0 HZ2 TRP A 61 5.438 -7.803 -4.824 1.00 5.33 H new ATOM 0 HZ3 TRP A 61 3.669 -8.983 -8.534 1.00 4.20 H new ATOM 0 HH2 TRP A 61 5.657 -8.491 -7.170 1.00 24.20 H new ATOM 975 N THR A 62 -2.420 -7.819 -7.591 1.00 61.00 N ATOM 976 CA THR A 62 -3.665 -8.122 -8.336 1.00 61.25 C ATOM 977 C THR A 62 -4.869 -8.457 -7.428 1.00 70.25 C ATOM 978 O THR A 62 -6.000 -8.080 -7.727 1.00 10.44 O ATOM 979 CB THR A 62 -3.459 -9.288 -9.337 1.00 74.20 C ATOM 980 OG1 THR A 62 -4.698 -9.619 -9.984 1.00 21.31 O ATOM 981 CG2 THR A 62 -2.897 -10.526 -8.640 1.00 11.55 C ATOM 0 H THR A 62 -1.578 -8.197 -8.026 1.00 61.00 H new ATOM 0 HA THR A 62 -3.898 -7.202 -8.872 1.00 61.25 H new ATOM 0 HB THR A 62 -2.739 -8.957 -10.085 1.00 74.20 H new ATOM 0 HG1 THR A 62 -4.552 -10.355 -10.614 1.00 21.31 H new ATOM 0 HG21 THR A 62 -2.764 -11.325 -9.369 1.00 11.55 H new ATOM 0 HG22 THR A 62 -1.935 -10.284 -8.188 1.00 11.55 H new ATOM 0 HG23 THR A 62 -3.590 -10.853 -7.865 1.00 11.55 H new ATOM 989 N GLU A 63 -4.624 -9.149 -6.317 1.00 44.14 N ATOM 990 CA GLU A 63 -5.701 -9.529 -5.390 1.00 23.14 C ATOM 991 C GLU A 63 -6.254 -8.311 -4.617 1.00 62.33 C ATOM 992 O GLU A 63 -7.425 -8.279 -4.241 1.00 11.41 O ATOM 993 CB GLU A 63 -5.193 -10.588 -4.400 1.00 31.44 C ATOM 994 CG GLU A 63 -4.648 -11.857 -5.057 1.00 10.50 C ATOM 995 CD GLU A 63 -5.675 -12.580 -5.920 1.00 21.24 C ATOM 996 OE1 GLU A 63 -6.590 -13.220 -5.356 1.00 70.22 O ATOM 997 OE2 GLU A 63 -5.559 -12.526 -7.165 1.00 24.31 O ATOM 0 H GLU A 63 -3.695 -9.459 -6.033 1.00 44.14 H new ATOM 0 HA GLU A 63 -6.516 -9.942 -5.985 1.00 23.14 H new ATOM 0 HB2 GLU A 63 -4.409 -10.146 -3.785 1.00 31.44 H new ATOM 0 HB3 GLU A 63 -6.008 -10.862 -3.730 1.00 31.44 H new ATOM 0 HG2 GLU A 63 -3.786 -11.598 -5.672 1.00 10.50 H new ATOM 0 HG3 GLU A 63 -4.294 -12.536 -4.281 1.00 10.50 H new ATOM 1004 N ASN A 64 -5.408 -7.314 -4.382 1.00 65.43 N ATOM 1005 CA ASN A 64 -5.791 -6.123 -3.610 1.00 74.21 C ATOM 1006 C ASN A 64 -6.209 -4.934 -4.500 1.00 4.44 C ATOM 1007 O ASN A 64 -6.531 -3.864 -3.985 1.00 52.34 O ATOM 1008 CB ASN A 64 -4.632 -5.701 -2.703 1.00 13.45 C ATOM 1009 CG ASN A 64 -4.233 -6.799 -1.739 1.00 53.02 C ATOM 1010 OD1 ASN A 64 -3.381 -7.626 -2.040 1.00 14.24 O ATOM 1011 ND2 ASN A 64 -4.848 -6.817 -0.574 1.00 21.33 N ATOM 0 H ASN A 64 -4.444 -7.302 -4.715 1.00 65.43 H new ATOM 0 HA ASN A 64 -6.662 -6.398 -3.015 1.00 74.21 H new ATOM 0 HB2 ASN A 64 -3.773 -5.428 -3.316 1.00 13.45 H new ATOM 0 HB3 ASN A 64 -4.918 -4.812 -2.141 1.00 13.45 H new ATOM 0 HD21 ASN A 64 -4.620 -7.536 0.112 1.00 21.33 H new ATOM 0 HD22 ASN A 64 -5.552 -6.112 -0.358 1.00 21.33 H new ATOM 1018 N ILE A 65 -6.215 -5.118 -5.824 1.00 3.33 N ATOM 1019 CA ILE A 65 -6.605 -4.038 -6.751 1.00 54.22 C ATOM 1020 C ILE A 65 -8.012 -3.491 -6.425 1.00 63.11 C ATOM 1021 O ILE A 65 -8.266 -2.290 -6.537 1.00 2.32 O ATOM 1022 CB ILE A 65 -6.559 -4.512 -8.231 1.00 63.01 C ATOM 1023 CG1 ILE A 65 -5.143 -4.981 -8.602 1.00 62.40 C ATOM 1024 CG2 ILE A 65 -7.017 -3.406 -9.190 1.00 34.30 C ATOM 1025 CD1 ILE A 65 -4.091 -3.891 -8.548 1.00 2.45 C ATOM 0 H ILE A 65 -5.958 -5.994 -6.280 1.00 3.33 H new ATOM 0 HA ILE A 65 -5.879 -3.236 -6.619 1.00 54.22 H new ATOM 0 HB ILE A 65 -7.249 -5.350 -8.330 1.00 63.01 H new ATOM 0 HG12 ILE A 65 -4.851 -5.786 -7.927 1.00 62.40 H new ATOM 0 HG13 ILE A 65 -5.164 -5.400 -9.608 1.00 62.40 H new ATOM 0 HG21 ILE A 65 -6.972 -3.772 -10.216 1.00 34.30 H new ATOM 0 HG22 ILE A 65 -8.041 -3.119 -8.952 1.00 34.30 H new ATOM 0 HG23 ILE A 65 -6.364 -2.540 -9.085 1.00 34.30 H new ATOM 0 HD11 ILE A 65 -3.122 -4.307 -8.824 1.00 2.45 H new ATOM 0 HD12 ILE A 65 -4.356 -3.095 -9.244 1.00 2.45 H new ATOM 0 HD13 ILE A 65 -4.038 -3.486 -7.537 1.00 2.45 H new ATOM 1037 N LYS A 66 -8.911 -4.381 -5.997 1.00 42.40 N ATOM 1038 CA LYS A 66 -10.272 -3.999 -5.588 1.00 63.12 C ATOM 1039 C LYS A 66 -10.278 -2.905 -4.500 1.00 50.44 C ATOM 1040 O LYS A 66 -11.246 -2.157 -4.366 1.00 53.14 O ATOM 1041 CB LYS A 66 -11.037 -5.230 -5.072 1.00 14.34 C ATOM 1042 CG LYS A 66 -10.337 -5.965 -3.924 1.00 10.31 C ATOM 1043 CD LYS A 66 -11.247 -7.008 -3.281 1.00 43.30 C ATOM 1044 CE LYS A 66 -10.537 -7.784 -2.175 1.00 25.44 C ATOM 1045 NZ LYS A 66 -9.531 -8.740 -2.715 1.00 72.53 N ATOM 0 H LYS A 66 -8.722 -5.381 -5.923 1.00 42.40 H new ATOM 0 HA LYS A 66 -10.763 -3.592 -6.472 1.00 63.12 H new ATOM 0 HB2 LYS A 66 -12.026 -4.916 -4.739 1.00 14.34 H new ATOM 0 HB3 LYS A 66 -11.185 -5.926 -5.898 1.00 14.34 H new ATOM 0 HG2 LYS A 66 -9.436 -6.450 -4.299 1.00 10.31 H new ATOM 0 HG3 LYS A 66 -10.021 -5.244 -3.170 1.00 10.31 H new ATOM 0 HD2 LYS A 66 -12.128 -6.516 -2.870 1.00 43.30 H new ATOM 0 HD3 LYS A 66 -11.597 -7.703 -4.044 1.00 43.30 H new ATOM 0 HE2 LYS A 66 -10.045 -7.083 -1.501 1.00 25.44 H new ATOM 0 HE3 LYS A 66 -11.274 -8.329 -1.585 1.00 25.44 H new ATOM 0 HZ1 LYS A 66 -9.050 -9.220 -1.927 1.00 72.53 H new ATOM 0 HZ2 LYS A 66 -10.008 -9.446 -3.311 1.00 72.53 H new ATOM 0 HZ3 LYS A 66 -8.831 -8.223 -3.284 1.00 72.53 H new ATOM 1059 N LEU A 67 -9.202 -2.818 -3.721 1.00 43.05 N ATOM 1060 CA LEU A 67 -9.119 -1.850 -2.617 1.00 75.41 C ATOM 1061 C LEU A 67 -8.894 -0.413 -3.120 1.00 54.34 C ATOM 1062 O LEU A 67 -9.240 0.551 -2.435 1.00 53.03 O ATOM 1063 CB LEU A 67 -7.988 -2.244 -1.655 1.00 60.01 C ATOM 1064 CG LEU A 67 -8.138 -3.622 -0.984 1.00 5.15 C ATOM 1065 CD1 LEU A 67 -6.947 -3.913 -0.076 1.00 3.43 C ATOM 1066 CD2 LEU A 67 -9.448 -3.705 -0.201 1.00 2.15 C ATOM 0 H LEU A 67 -8.374 -3.403 -3.829 1.00 43.05 H new ATOM 0 HA LEU A 67 -10.075 -1.872 -2.094 1.00 75.41 H new ATOM 0 HB2 LEU A 67 -7.046 -2.227 -2.203 1.00 60.01 H new ATOM 0 HB3 LEU A 67 -7.917 -1.486 -0.875 1.00 60.01 H new ATOM 0 HG LEU A 67 -8.162 -4.380 -1.767 1.00 5.15 H new ATOM 0 HD11 LEU A 67 -7.074 -4.891 0.388 1.00 3.43 H new ATOM 0 HD12 LEU A 67 -6.030 -3.907 -0.665 1.00 3.43 H new ATOM 0 HD13 LEU A 67 -6.885 -3.149 0.699 1.00 3.43 H new ATOM 0 HD21 LEU A 67 -9.532 -4.687 0.264 1.00 2.15 H new ATOM 0 HD22 LEU A 67 -9.460 -2.936 0.571 1.00 2.15 H new ATOM 0 HD23 LEU A 67 -10.288 -3.552 -0.879 1.00 2.15 H new ATOM 1078 N LEU A 68 -8.334 -0.278 -4.321 1.00 21.52 N ATOM 1079 CA LEU A 68 -7.973 1.039 -4.876 1.00 20.12 C ATOM 1080 C LEU A 68 -9.190 1.970 -5.046 1.00 33.12 C ATOM 1081 O LEU A 68 -9.057 3.190 -4.978 1.00 41.45 O ATOM 1082 CB LEU A 68 -7.260 0.865 -6.225 1.00 60.20 C ATOM 1083 CG LEU A 68 -5.933 0.085 -6.171 1.00 72.34 C ATOM 1084 CD1 LEU A 68 -5.359 -0.108 -7.572 1.00 45.52 C ATOM 1085 CD2 LEU A 68 -4.923 0.791 -5.265 1.00 14.32 C ATOM 0 H LEU A 68 -8.117 -1.063 -4.935 1.00 21.52 H new ATOM 0 HA LEU A 68 -7.304 1.512 -4.157 1.00 20.12 H new ATOM 0 HB2 LEU A 68 -7.935 0.354 -6.911 1.00 60.20 H new ATOM 0 HB3 LEU A 68 -7.066 1.852 -6.645 1.00 60.20 H new ATOM 0 HG LEU A 68 -6.137 -0.899 -5.749 1.00 72.34 H new ATOM 0 HD11 LEU A 68 -4.422 -0.661 -7.508 1.00 45.52 H new ATOM 0 HD12 LEU A 68 -6.069 -0.666 -8.182 1.00 45.52 H new ATOM 0 HD13 LEU A 68 -5.175 0.865 -8.027 1.00 45.52 H new ATOM 0 HD21 LEU A 68 -3.994 0.221 -5.243 1.00 14.32 H new ATOM 0 HD22 LEU A 68 -4.726 1.792 -5.650 1.00 14.32 H new ATOM 0 HD23 LEU A 68 -5.328 0.864 -4.256 1.00 14.32 H new ATOM 1097 N LYS A 69 -10.373 1.395 -5.258 1.00 2.33 N ATOM 1098 CA LYS A 69 -11.593 2.193 -5.468 1.00 0.13 C ATOM 1099 C LYS A 69 -12.205 2.690 -4.143 1.00 22.12 C ATOM 1100 O LYS A 69 -13.175 3.452 -4.146 1.00 25.14 O ATOM 1101 CB LYS A 69 -12.631 1.388 -6.267 1.00 44.20 C ATOM 1102 CG LYS A 69 -13.044 0.073 -5.610 1.00 71.30 C ATOM 1103 CD LYS A 69 -14.054 -0.694 -6.463 1.00 4.04 C ATOM 1104 CE LYS A 69 -14.342 -2.081 -5.895 1.00 4.03 C ATOM 1105 NZ LYS A 69 -14.972 -2.024 -4.549 1.00 14.11 N ATOM 0 H LYS A 69 -10.518 0.386 -5.290 1.00 2.33 H new ATOM 0 HA LYS A 69 -11.304 3.075 -6.040 1.00 0.13 H new ATOM 0 HB2 LYS A 69 -13.519 2.004 -6.411 1.00 44.20 H new ATOM 0 HB3 LYS A 69 -12.226 1.175 -7.256 1.00 44.20 H new ATOM 0 HG2 LYS A 69 -12.161 -0.545 -5.448 1.00 71.30 H new ATOM 0 HG3 LYS A 69 -13.476 0.276 -4.630 1.00 71.30 H new ATOM 0 HD2 LYS A 69 -14.983 -0.127 -6.524 1.00 4.04 H new ATOM 0 HD3 LYS A 69 -13.672 -0.790 -7.479 1.00 4.04 H new ATOM 0 HE2 LYS A 69 -14.998 -2.621 -6.578 1.00 4.03 H new ATOM 0 HE3 LYS A 69 -13.412 -2.646 -5.834 1.00 4.03 H new ATOM 0 HZ1 LYS A 69 -15.179 -2.989 -4.221 1.00 14.11 H new ATOM 0 HZ2 LYS A 69 -14.322 -1.563 -3.881 1.00 14.11 H new ATOM 0 HZ3 LYS A 69 -15.857 -1.480 -4.603 1.00 14.11 H new ATOM 1119 N LYS A 70 -11.653 2.250 -3.012 1.00 50.22 N ATOM 1120 CA LYS A 70 -12.141 2.689 -1.695 1.00 63.54 C ATOM 1121 C LYS A 70 -11.673 4.113 -1.355 1.00 33.14 C ATOM 1122 O LYS A 70 -12.445 4.929 -0.845 1.00 54.22 O ATOM 1123 CB LYS A 70 -11.674 1.718 -0.600 1.00 64.41 C ATOM 1124 CG LYS A 70 -12.355 0.352 -0.649 1.00 33.42 C ATOM 1125 CD LYS A 70 -11.843 -0.585 0.444 1.00 33.12 C ATOM 1126 CE LYS A 70 -11.988 0.016 1.844 1.00 13.24 C ATOM 1127 NZ LYS A 70 -13.403 0.317 2.194 1.00 53.54 N ATOM 0 H LYS A 70 -10.873 1.594 -2.976 1.00 50.22 H new ATOM 0 HA LYS A 70 -13.230 2.694 -1.740 1.00 63.54 H new ATOM 0 HB2 LYS A 70 -10.597 1.579 -0.688 1.00 64.41 H new ATOM 0 HB3 LYS A 70 -11.859 2.170 0.375 1.00 64.41 H new ATOM 0 HG2 LYS A 70 -13.432 0.480 -0.541 1.00 33.42 H new ATOM 0 HG3 LYS A 70 -12.185 -0.103 -1.625 1.00 33.42 H new ATOM 0 HD2 LYS A 70 -12.391 -1.526 0.397 1.00 33.12 H new ATOM 0 HD3 LYS A 70 -10.794 -0.817 0.258 1.00 33.12 H new ATOM 0 HE2 LYS A 70 -11.576 -0.677 2.577 1.00 13.24 H new ATOM 0 HE3 LYS A 70 -11.400 0.932 1.905 1.00 13.24 H new ATOM 0 HZ1 LYS A 70 -13.449 0.690 3.164 1.00 53.54 H new ATOM 0 HZ2 LYS A 70 -13.781 1.025 1.532 1.00 53.54 H new ATOM 0 HZ3 LYS A 70 -13.969 -0.553 2.131 1.00 53.54 H new ATOM 1141 N PHE A 71 -10.410 4.405 -1.646 1.00 42.21 N ATOM 1142 CA PHE A 71 -9.809 5.697 -1.291 1.00 60.41 C ATOM 1143 C PHE A 71 -9.374 6.483 -2.534 1.00 63.43 C ATOM 1144 O PHE A 71 -9.127 5.909 -3.594 1.00 40.32 O ATOM 1145 CB PHE A 71 -8.611 5.483 -0.354 1.00 73.24 C ATOM 1146 CG PHE A 71 -7.544 4.568 -0.911 1.00 20.34 C ATOM 1147 CD1 PHE A 71 -7.632 3.192 -0.740 1.00 41.03 C ATOM 1148 CD2 PHE A 71 -6.451 5.083 -1.597 1.00 1.04 C ATOM 1149 CE1 PHE A 71 -6.657 2.352 -1.241 1.00 55.33 C ATOM 1150 CE2 PHE A 71 -5.474 4.247 -2.102 1.00 41.41 C ATOM 1151 CZ PHE A 71 -5.577 2.879 -1.924 1.00 4.14 C ATOM 0 H PHE A 71 -9.777 3.767 -2.128 1.00 42.21 H new ATOM 0 HA PHE A 71 -10.569 6.286 -0.777 1.00 60.41 H new ATOM 0 HB2 PHE A 71 -8.163 6.451 -0.129 1.00 73.24 H new ATOM 0 HB3 PHE A 71 -8.971 5.071 0.589 1.00 73.24 H new ATOM 0 HD1 PHE A 71 -8.474 2.774 -0.208 1.00 41.03 H new ATOM 0 HD2 PHE A 71 -6.364 6.150 -1.737 1.00 1.04 H new ATOM 0 HE1 PHE A 71 -6.738 1.284 -1.099 1.00 55.33 H new ATOM 0 HE2 PHE A 71 -4.631 4.661 -2.635 1.00 41.41 H new ATOM 0 HZ PHE A 71 -4.815 2.224 -2.318 1.00 4.14 H new ATOM 1161 N ARG A 72 -9.279 7.800 -2.390 1.00 20.23 N ATOM 1162 CA ARG A 72 -8.877 8.676 -3.492 1.00 51.10 C ATOM 1163 C ARG A 72 -7.556 9.392 -3.168 1.00 1.12 C ATOM 1164 O ARG A 72 -7.175 9.532 -2.001 1.00 22.44 O ATOM 1165 CB ARG A 72 -9.990 9.693 -3.777 1.00 23.02 C ATOM 1166 CG ARG A 72 -11.353 9.040 -4.000 1.00 71.13 C ATOM 1167 CD ARG A 72 -12.463 10.065 -4.202 1.00 3.43 C ATOM 1168 NE ARG A 72 -13.781 9.429 -4.249 1.00 0.13 N ATOM 1169 CZ ARG A 72 -14.816 9.911 -4.888 1.00 5.45 C ATOM 1170 NH1 ARG A 72 -14.732 11.024 -5.545 1.00 21.00 N ATOM 1171 NH2 ARG A 72 -15.940 9.278 -4.860 1.00 62.22 N ATOM 0 H ARG A 72 -9.475 8.290 -1.517 1.00 20.23 H new ATOM 0 HA ARG A 72 -8.716 8.069 -4.383 1.00 51.10 H new ATOM 0 HB2 ARG A 72 -10.060 10.390 -2.942 1.00 23.02 H new ATOM 0 HB3 ARG A 72 -9.724 10.277 -4.658 1.00 23.02 H new ATOM 0 HG2 ARG A 72 -11.302 8.388 -4.872 1.00 71.13 H new ATOM 0 HG3 ARG A 72 -11.595 8.410 -3.144 1.00 71.13 H new ATOM 0 HD2 ARG A 72 -12.438 10.793 -3.392 1.00 3.43 H new ATOM 0 HD3 ARG A 72 -12.289 10.613 -5.128 1.00 3.43 H new ATOM 0 HE ARG A 72 -13.901 8.548 -3.748 1.00 0.13 H new ATOM 0 HH11 ARG A 72 -13.851 11.537 -5.569 1.00 21.00 H new ATOM 0 HH12 ARG A 72 -15.547 11.388 -6.039 1.00 21.00 H new ATOM 0 HH21 ARG A 72 -16.020 8.404 -4.340 1.00 62.22 H new ATOM 0 HH22 ARG A 72 -16.748 9.652 -5.357 1.00 62.22 H new ATOM 1185 N GLU A 73 -6.855 9.838 -4.206 1.00 73.32 N ATOM 1186 CA GLU A 73 -5.553 10.485 -4.032 1.00 44.51 C ATOM 1187 C GLU A 73 -5.682 11.791 -3.225 1.00 70.13 C ATOM 1188 O GLU A 73 -5.950 12.861 -3.779 1.00 63.04 O ATOM 1189 CB GLU A 73 -4.908 10.752 -5.402 1.00 3.55 C ATOM 1190 CG GLU A 73 -3.444 11.166 -5.320 1.00 65.40 C ATOM 1191 CD GLU A 73 -2.859 11.520 -6.680 1.00 54.41 C ATOM 1192 OE1 GLU A 73 -3.015 12.685 -7.112 1.00 50.03 O ATOM 1193 OE2 GLU A 73 -2.242 10.641 -7.322 1.00 21.35 O ATOM 0 H GLU A 73 -7.163 9.765 -5.176 1.00 73.32 H new ATOM 0 HA GLU A 73 -4.909 9.811 -3.467 1.00 44.51 H new ATOM 0 HB2 GLU A 73 -4.988 9.853 -6.013 1.00 3.55 H new ATOM 0 HB3 GLU A 73 -5.470 11.535 -5.912 1.00 3.55 H new ATOM 0 HG2 GLU A 73 -3.349 12.023 -4.654 1.00 65.40 H new ATOM 0 HG3 GLU A 73 -2.865 10.354 -4.879 1.00 65.40 H new ATOM 1200 N GLY A 74 -5.522 11.683 -1.907 1.00 43.02 N ATOM 1201 CA GLY A 74 -5.658 12.842 -1.029 1.00 23.24 C ATOM 1202 C GLY A 74 -6.216 12.493 0.351 1.00 61.31 C ATOM 1203 O GLY A 74 -6.110 13.290 1.286 1.00 3.44 O ATOM 0 H GLY A 74 -5.300 10.811 -1.427 1.00 43.02 H new ATOM 0 HA2 GLY A 74 -4.683 13.315 -0.910 1.00 23.24 H new ATOM 0 HA3 GLY A 74 -6.312 13.574 -1.503 1.00 23.24 H new ATOM 1207 N ASP A 75 -6.827 11.314 0.477 1.00 24.23 N ATOM 1208 CA ASP A 75 -7.382 10.856 1.759 1.00 70.12 C ATOM 1209 C ASP A 75 -6.295 10.226 2.654 1.00 43.13 C ATOM 1210 O ASP A 75 -5.114 10.247 2.319 1.00 43.43 O ATOM 1211 CB ASP A 75 -8.506 9.844 1.506 1.00 53.34 C ATOM 1212 CG ASP A 75 -9.625 10.422 0.654 1.00 64.01 C ATOM 1213 OD1 ASP A 75 -10.236 11.428 1.073 1.00 15.22 O ATOM 1214 OD2 ASP A 75 -9.902 9.869 -0.432 1.00 70.34 O ATOM 0 H ASP A 75 -6.952 10.656 -0.292 1.00 24.23 H new ATOM 0 HA ASP A 75 -7.782 11.724 2.283 1.00 70.12 H new ATOM 0 HB2 ASP A 75 -8.094 8.964 1.012 1.00 53.34 H new ATOM 0 HB3 ASP A 75 -8.914 9.512 2.461 1.00 53.34 H new ATOM 1219 N VAL A 76 -6.701 9.673 3.798 1.00 74.34 N ATOM 1220 CA VAL A 76 -5.771 9.003 4.725 1.00 22.51 C ATOM 1221 C VAL A 76 -6.204 7.547 4.967 1.00 73.40 C ATOM 1222 O VAL A 76 -7.328 7.297 5.395 1.00 31.11 O ATOM 1223 CB VAL A 76 -5.700 9.744 6.088 1.00 64.23 C ATOM 1224 CG1 VAL A 76 -4.703 9.065 7.030 1.00 72.51 C ATOM 1225 CG2 VAL A 76 -5.342 11.216 5.887 1.00 32.50 C ATOM 0 H VAL A 76 -7.672 9.673 4.111 1.00 74.34 H new ATOM 0 HA VAL A 76 -4.784 9.020 4.263 1.00 22.51 H new ATOM 0 HB VAL A 76 -6.686 9.694 6.550 1.00 64.23 H new ATOM 0 HG11 VAL A 76 -4.673 9.604 7.977 1.00 72.51 H new ATOM 0 HG12 VAL A 76 -5.014 8.035 7.208 1.00 72.51 H new ATOM 0 HG13 VAL A 76 -3.712 9.072 6.577 1.00 72.51 H new ATOM 0 HG21 VAL A 76 -5.298 11.715 6.855 1.00 32.50 H new ATOM 0 HG22 VAL A 76 -4.372 11.291 5.396 1.00 32.50 H new ATOM 0 HG23 VAL A 76 -6.101 11.694 5.267 1.00 32.50 H new ATOM 1235 N ILE A 77 -5.313 6.586 4.708 1.00 2.32 N ATOM 1236 CA ILE A 77 -5.684 5.163 4.794 1.00 74.13 C ATOM 1237 C ILE A 77 -4.846 4.378 5.815 1.00 51.24 C ATOM 1238 O ILE A 77 -3.667 4.665 6.045 1.00 5.41 O ATOM 1239 CB ILE A 77 -5.568 4.459 3.416 1.00 10.51 C ATOM 1240 CG1 ILE A 77 -4.118 4.507 2.893 1.00 41.11 C ATOM 1241 CG2 ILE A 77 -6.528 5.098 2.415 1.00 31.52 C ATOM 1242 CD1 ILE A 77 -3.917 3.794 1.571 1.00 44.14 C ATOM 0 H ILE A 77 -4.344 6.758 4.441 1.00 2.32 H new ATOM 0 HA ILE A 77 -6.721 5.161 5.129 1.00 74.13 H new ATOM 0 HB ILE A 77 -5.843 3.411 3.540 1.00 10.51 H new ATOM 0 HG12 ILE A 77 -3.817 5.549 2.782 1.00 41.11 H new ATOM 0 HG13 ILE A 77 -3.459 4.062 3.638 1.00 41.11 H new ATOM 0 HG21 ILE A 77 -6.437 4.595 1.452 1.00 31.52 H new ATOM 0 HG22 ILE A 77 -7.551 5.002 2.779 1.00 31.52 H new ATOM 0 HG23 ILE A 77 -6.282 6.153 2.298 1.00 31.52 H new ATOM 0 HD11 ILE A 77 -2.872 3.873 1.270 1.00 44.14 H new ATOM 0 HD12 ILE A 77 -4.185 2.743 1.680 1.00 44.14 H new ATOM 0 HD13 ILE A 77 -4.549 4.253 0.810 1.00 44.14 H new ATOM 1254 N ARG A 78 -5.487 3.386 6.424 1.00 75.40 N ATOM 1255 CA ARG A 78 -4.821 2.430 7.308 1.00 32.43 C ATOM 1256 C ARG A 78 -4.871 1.019 6.694 1.00 45.12 C ATOM 1257 O ARG A 78 -5.946 0.443 6.529 1.00 32.10 O ATOM 1258 CB ARG A 78 -5.497 2.427 8.688 1.00 52.23 C ATOM 1259 CG ARG A 78 -4.918 1.402 9.667 1.00 21.12 C ATOM 1260 CD ARG A 78 -5.701 1.360 10.979 1.00 23.10 C ATOM 1261 NE ARG A 78 -5.674 2.641 11.687 1.00 33.42 N ATOM 1262 CZ ARG A 78 -6.701 3.152 12.318 1.00 70.24 C ATOM 1263 NH1 ARG A 78 -7.855 2.561 12.295 1.00 53.24 N ATOM 1264 NH2 ARG A 78 -6.581 4.269 12.954 1.00 75.44 N ATOM 0 H ARG A 78 -6.488 3.220 6.319 1.00 75.40 H new ATOM 0 HA ARG A 78 -3.779 2.727 7.426 1.00 32.43 H new ATOM 0 HB2 ARG A 78 -5.409 3.421 9.126 1.00 52.23 H new ATOM 0 HB3 ARG A 78 -6.561 2.229 8.559 1.00 52.23 H new ATOM 0 HG2 ARG A 78 -4.928 0.414 9.206 1.00 21.12 H new ATOM 0 HG3 ARG A 78 -3.876 1.646 9.874 1.00 21.12 H new ATOM 0 HD2 ARG A 78 -6.735 1.084 10.773 1.00 23.10 H new ATOM 0 HD3 ARG A 78 -5.286 0.584 11.622 1.00 23.10 H new ATOM 0 HE ARG A 78 -4.801 3.168 11.689 1.00 33.42 H new ATOM 0 HH11 ARG A 78 -7.970 1.688 11.781 1.00 53.24 H new ATOM 0 HH12 ARG A 78 -8.647 2.970 12.791 1.00 53.24 H new ATOM 0 HH21 ARG A 78 -5.685 4.755 12.966 1.00 75.44 H new ATOM 0 HH22 ARG A 78 -7.383 4.665 13.445 1.00 75.44 H new ATOM 1278 N ILE A 79 -3.710 0.480 6.338 1.00 1.41 N ATOM 1279 CA ILE A 79 -3.628 -0.855 5.737 1.00 1.25 C ATOM 1280 C ILE A 79 -3.272 -1.911 6.794 1.00 4.12 C ATOM 1281 O ILE A 79 -2.302 -1.755 7.537 1.00 40.13 O ATOM 1282 CB ILE A 79 -2.575 -0.892 4.604 1.00 53.34 C ATOM 1283 CG1 ILE A 79 -2.800 0.270 3.618 1.00 50.31 C ATOM 1284 CG2 ILE A 79 -2.625 -2.237 3.875 1.00 32.24 C ATOM 1285 CD1 ILE A 79 -1.783 0.331 2.498 1.00 12.32 C ATOM 0 H ILE A 79 -2.809 0.944 6.454 1.00 1.41 H new ATOM 0 HA ILE A 79 -4.608 -1.083 5.318 1.00 1.25 H new ATOM 0 HB ILE A 79 -1.585 -0.776 5.046 1.00 53.34 H new ATOM 0 HG12 ILE A 79 -3.797 0.179 3.186 1.00 50.31 H new ATOM 0 HG13 ILE A 79 -2.776 1.210 4.169 1.00 50.31 H new ATOM 0 HG21 ILE A 79 -1.879 -2.248 3.081 1.00 32.24 H new ATOM 0 HG22 ILE A 79 -2.416 -3.041 4.581 1.00 32.24 H new ATOM 0 HG23 ILE A 79 -3.616 -2.381 3.444 1.00 32.24 H new ATOM 0 HD11 ILE A 79 -2.009 1.175 1.847 1.00 12.32 H new ATOM 0 HD12 ILE A 79 -0.785 0.455 2.919 1.00 12.32 H new ATOM 0 HD13 ILE A 79 -1.821 -0.593 1.921 1.00 12.32 H new ATOM 1297 N LYS A 80 -4.048 -2.989 6.859 1.00 40.14 N ATOM 1298 CA LYS A 80 -3.872 -3.997 7.912 1.00 74.43 C ATOM 1299 C LYS A 80 -3.133 -5.255 7.414 1.00 10.51 C ATOM 1300 O LYS A 80 -3.550 -5.895 6.447 1.00 65.14 O ATOM 1301 CB LYS A 80 -5.241 -4.369 8.496 1.00 1.42 C ATOM 1302 CG LYS A 80 -5.182 -5.375 9.645 1.00 65.32 C ATOM 1303 CD LYS A 80 -6.538 -5.524 10.333 1.00 63.13 C ATOM 1304 CE LYS A 80 -7.640 -5.898 9.349 1.00 61.31 C ATOM 1305 NZ LYS A 80 -8.970 -5.978 10.007 1.00 63.12 N ATOM 0 H LYS A 80 -4.802 -3.191 6.202 1.00 40.14 H new ATOM 0 HA LYS A 80 -3.245 -3.559 8.688 1.00 74.43 H new ATOM 0 HB2 LYS A 80 -5.732 -3.462 8.848 1.00 1.42 H new ATOM 0 HB3 LYS A 80 -5.863 -4.780 7.701 1.00 1.42 H new ATOM 0 HG2 LYS A 80 -4.858 -6.344 9.265 1.00 65.32 H new ATOM 0 HG3 LYS A 80 -4.437 -5.053 10.373 1.00 65.32 H new ATOM 0 HD2 LYS A 80 -6.469 -6.288 11.108 1.00 63.13 H new ATOM 0 HD3 LYS A 80 -6.797 -4.589 10.829 1.00 63.13 H new ATOM 0 HE2 LYS A 80 -7.676 -5.160 8.547 1.00 61.31 H new ATOM 0 HE3 LYS A 80 -7.405 -6.858 8.889 1.00 61.31 H new ATOM 0 HZ1 LYS A 80 -9.691 -6.235 9.303 1.00 63.12 H new ATOM 0 HZ2 LYS A 80 -8.944 -6.700 10.755 1.00 63.12 H new ATOM 0 HZ3 LYS A 80 -9.207 -5.055 10.424 1.00 63.12 H new ATOM 1319 N ASP A 81 -2.039 -5.594 8.111 1.00 33.33 N ATOM 1320 CA ASP A 81 -1.218 -6.783 7.820 1.00 2.54 C ATOM 1321 C ASP A 81 -0.486 -6.687 6.467 1.00 22.03 C ATOM 1322 O ASP A 81 -1.013 -7.094 5.429 1.00 25.20 O ATOM 1323 CB ASP A 81 -2.056 -8.069 7.877 1.00 74.24 C ATOM 1324 CG ASP A 81 -2.757 -8.252 9.210 1.00 0.50 C ATOM 1325 OD1 ASP A 81 -2.178 -7.874 10.251 1.00 22.43 O ATOM 1326 OD2 ASP A 81 -3.887 -8.785 9.226 1.00 54.52 O ATOM 0 H ASP A 81 -1.694 -5.047 8.900 1.00 33.33 H new ATOM 0 HA ASP A 81 -0.457 -6.821 8.600 1.00 2.54 H new ATOM 0 HB2 ASP A 81 -2.799 -8.049 7.080 1.00 74.24 H new ATOM 0 HB3 ASP A 81 -1.411 -8.927 7.690 1.00 74.24 H new ATOM 1331 N VAL A 82 0.731 -6.138 6.487 1.00 0.32 N ATOM 1332 CA VAL A 82 1.578 -6.062 5.287 1.00 74.34 C ATOM 1333 C VAL A 82 3.048 -6.366 5.619 1.00 11.21 C ATOM 1334 O VAL A 82 3.469 -6.278 6.776 1.00 21.11 O ATOM 1335 CB VAL A 82 1.495 -4.671 4.602 1.00 60.14 C ATOM 1336 CG1 VAL A 82 0.102 -4.428 4.030 1.00 42.13 C ATOM 1337 CG2 VAL A 82 1.882 -3.557 5.573 1.00 53.43 C ATOM 0 H VAL A 82 1.156 -5.737 7.323 1.00 0.32 H new ATOM 0 HA VAL A 82 1.197 -6.816 4.598 1.00 74.34 H new ATOM 0 HB VAL A 82 2.208 -4.662 3.777 1.00 60.14 H new ATOM 0 HG11 VAL A 82 0.069 -3.447 3.556 1.00 42.13 H new ATOM 0 HG12 VAL A 82 -0.127 -5.196 3.291 1.00 42.13 H new ATOM 0 HG13 VAL A 82 -0.633 -4.467 4.834 1.00 42.13 H new ATOM 0 HG21 VAL A 82 1.815 -2.594 5.067 1.00 53.43 H new ATOM 0 HG22 VAL A 82 1.204 -3.566 6.426 1.00 53.43 H new ATOM 0 HG23 VAL A 82 2.903 -3.715 5.919 1.00 53.43 H new ATOM 1347 N ASN A 83 3.825 -6.728 4.600 1.00 32.00 N ATOM 1348 CA ASN A 83 5.255 -7.017 4.779 1.00 42.43 C ATOM 1349 C ASN A 83 6.125 -5.850 4.295 1.00 44.22 C ATOM 1350 O ASN A 83 6.071 -5.462 3.124 1.00 64.12 O ATOM 1351 CB ASN A 83 5.649 -8.296 4.026 1.00 0.33 C ATOM 1352 CG ASN A 83 5.001 -9.551 4.587 1.00 2.24 C ATOM 1353 OD1 ASN A 83 4.765 -9.582 5.885 1.00 74.21 O flip ATOM 1354 ND2 ASN A 83 4.724 -10.497 3.861 1.00 52.05 N flip ATOM 0 H ASN A 83 3.493 -6.829 3.641 1.00 32.00 H new ATOM 0 HA ASN A 83 5.427 -7.160 5.846 1.00 42.43 H new ATOM 0 HB2 ASN A 83 5.372 -8.191 2.977 1.00 0.33 H new ATOM 0 HB3 ASN A 83 6.733 -8.409 4.060 1.00 0.33 H new ATOM 0 HD21 ASN A 83 4.917 -10.446 2.861 1.00 52.05 H new ATOM 0 HD22 ASN A 83 4.300 -11.336 4.256 1.00 52.05 H new ATOM 1361 N ILE A 84 6.935 -5.301 5.197 1.00 62.21 N ATOM 1362 CA ILE A 84 7.857 -4.221 4.846 1.00 4.04 C ATOM 1363 C ILE A 84 9.122 -4.790 4.187 1.00 44.31 C ATOM 1364 O ILE A 84 9.943 -5.420 4.848 1.00 52.51 O ATOM 1365 CB ILE A 84 8.264 -3.395 6.095 1.00 43.15 C ATOM 1366 CG1 ILE A 84 7.016 -2.879 6.835 1.00 14.32 C ATOM 1367 CG2 ILE A 84 9.179 -2.233 5.699 1.00 71.43 C ATOM 1368 CD1 ILE A 84 6.146 -1.955 6.011 1.00 33.23 C ATOM 0 H ILE A 84 6.973 -5.585 6.176 1.00 62.21 H new ATOM 0 HA ILE A 84 7.339 -3.566 4.146 1.00 4.04 H new ATOM 0 HB ILE A 84 8.816 -4.047 6.772 1.00 43.15 H new ATOM 0 HG12 ILE A 84 6.419 -3.732 7.156 1.00 14.32 H new ATOM 0 HG13 ILE A 84 7.333 -2.354 7.736 1.00 14.32 H new ATOM 0 HG21 ILE A 84 9.453 -1.666 6.589 1.00 71.43 H new ATOM 0 HG22 ILE A 84 10.080 -2.624 5.226 1.00 71.43 H new ATOM 0 HG23 ILE A 84 8.656 -1.580 5.000 1.00 71.43 H new ATOM 0 HD11 ILE A 84 5.289 -1.637 6.605 1.00 33.23 H new ATOM 0 HD12 ILE A 84 6.725 -1.081 5.712 1.00 33.23 H new ATOM 0 HD13 ILE A 84 5.797 -2.481 5.122 1.00 33.23 H new ATOM 1380 N ARG A 85 9.274 -4.569 2.884 1.00 21.23 N ATOM 1381 CA ARG A 85 10.419 -5.115 2.139 1.00 54.41 C ATOM 1382 C ARG A 85 11.665 -4.228 2.263 1.00 30.23 C ATOM 1383 O ARG A 85 12.783 -4.684 2.028 1.00 31.44 O ATOM 1384 CB ARG A 85 10.047 -5.306 0.664 1.00 4.15 C ATOM 1385 CG ARG A 85 8.973 -6.369 0.439 1.00 11.23 C ATOM 1386 CD ARG A 85 9.436 -7.751 0.892 1.00 33.01 C ATOM 1387 NE ARG A 85 10.615 -8.199 0.156 1.00 30.03 N ATOM 1388 CZ ARG A 85 11.542 -8.980 0.644 1.00 13.54 C ATOM 1389 NH1 ARG A 85 11.471 -9.414 1.859 1.00 34.24 N ATOM 1390 NH2 ARG A 85 12.545 -9.321 -0.093 1.00 51.25 N ATOM 0 H ARG A 85 8.626 -4.020 2.319 1.00 21.23 H new ATOM 0 HA ARG A 85 10.664 -6.082 2.579 1.00 54.41 H new ATOM 0 HB2 ARG A 85 9.697 -4.356 0.260 1.00 4.15 H new ATOM 0 HB3 ARG A 85 10.941 -5.580 0.105 1.00 4.15 H new ATOM 0 HG2 ARG A 85 8.069 -6.093 0.982 1.00 11.23 H new ATOM 0 HG3 ARG A 85 8.711 -6.402 -0.619 1.00 11.23 H new ATOM 0 HD2 ARG A 85 9.661 -7.727 1.958 1.00 33.01 H new ATOM 0 HD3 ARG A 85 8.627 -8.468 0.753 1.00 33.01 H new ATOM 0 HE ARG A 85 10.722 -7.880 -0.807 1.00 30.03 H new ATOM 0 HH11 ARG A 85 10.684 -9.148 2.451 1.00 34.24 H new ATOM 0 HH12 ARG A 85 12.202 -10.023 2.227 1.00 34.24 H new ATOM 0 HH21 ARG A 85 12.612 -8.981 -1.052 1.00 51.25 H new ATOM 0 HH22 ARG A 85 13.271 -9.930 0.284 1.00 51.25 H new ATOM 1476 N LYS A 92 10.482 3.643 1.979 1.00 62.33 N ATOM 1477 CA LYS A 92 10.306 2.197 2.163 1.00 43.12 C ATOM 1478 C LYS A 92 9.064 1.700 1.399 1.00 74.50 C ATOM 1479 O LYS A 92 8.396 2.471 0.707 1.00 25.10 O ATOM 1480 CB LYS A 92 10.196 1.855 3.661 1.00 11.43 C ATOM 1481 CG LYS A 92 11.348 2.411 4.500 1.00 3.24 C ATOM 1482 CD LYS A 92 11.270 1.981 5.965 1.00 14.25 C ATOM 1483 CE LYS A 92 12.255 2.759 6.833 1.00 24.20 C ATOM 1484 NZ LYS A 92 11.983 4.224 6.810 1.00 75.30 N ATOM 0 HA LYS A 92 11.181 1.689 1.758 1.00 43.12 H new ATOM 0 HB2 LYS A 92 9.254 2.246 4.047 1.00 11.43 H new ATOM 0 HB3 LYS A 92 10.163 0.772 3.777 1.00 11.43 H new ATOM 0 HG2 LYS A 92 12.295 2.076 4.077 1.00 3.24 H new ATOM 0 HG3 LYS A 92 11.341 3.500 4.444 1.00 3.24 H new ATOM 0 HD2 LYS A 92 10.257 2.135 6.336 1.00 14.25 H new ATOM 0 HD3 LYS A 92 11.479 0.914 6.043 1.00 14.25 H new ATOM 0 HE2 LYS A 92 12.199 2.396 7.859 1.00 24.20 H new ATOM 0 HE3 LYS A 92 13.271 2.573 6.484 1.00 24.20 H new ATOM 0 HZ1 LYS A 92 12.452 4.677 7.620 1.00 75.30 H new ATOM 0 HZ2 LYS A 92 12.349 4.631 5.926 1.00 75.30 H new ATOM 0 HZ3 LYS A 92 10.958 4.388 6.868 1.00 75.30 H new ATOM 1498 N GLU A 93 8.737 0.416 1.538 1.00 72.33 N ATOM 1499 CA GLU A 93 7.616 -0.168 0.793 1.00 50.41 C ATOM 1500 C GLU A 93 6.977 -1.349 1.537 1.00 51.45 C ATOM 1501 O GLU A 93 7.668 -2.161 2.163 1.00 11.02 O ATOM 1502 CB GLU A 93 8.067 -0.598 -0.610 1.00 54.43 C ATOM 1503 CG GLU A 93 9.227 -1.586 -0.622 1.00 75.42 C ATOM 1504 CD GLU A 93 9.712 -1.886 -2.031 1.00 21.21 C ATOM 1505 OE1 GLU A 93 10.476 -1.065 -2.586 1.00 44.14 O ATOM 1506 OE2 GLU A 93 9.327 -2.937 -2.591 1.00 62.13 O ATOM 0 H GLU A 93 9.225 -0.236 2.152 1.00 72.33 H new ATOM 0 HA GLU A 93 6.854 0.606 0.700 1.00 50.41 H new ATOM 0 HB2 GLU A 93 7.220 -1.045 -1.130 1.00 54.43 H new ATOM 0 HB3 GLU A 93 8.355 0.289 -1.174 1.00 54.43 H new ATOM 0 HG2 GLU A 93 10.051 -1.183 -0.034 1.00 75.42 H new ATOM 0 HG3 GLU A 93 8.917 -2.514 -0.141 1.00 75.42 H new ATOM 1513 N ALA A 94 5.651 -1.428 1.452 1.00 10.31 N ATOM 1514 CA ALA A 94 4.871 -2.467 2.126 1.00 22.22 C ATOM 1515 C ALA A 94 3.984 -3.227 1.126 1.00 2.15 C ATOM 1516 O ALA A 94 3.136 -2.633 0.462 1.00 71.22 O ATOM 1517 CB ALA A 94 4.014 -1.841 3.222 1.00 50.13 C ATOM 0 H ALA A 94 5.085 -0.773 0.913 1.00 10.31 H new ATOM 0 HA ALA A 94 5.562 -3.181 2.574 1.00 22.22 H new ATOM 0 HB1 ALA A 94 3.435 -2.619 3.720 1.00 50.13 H new ATOM 0 HB2 ALA A 94 4.658 -1.346 3.949 1.00 50.13 H new ATOM 0 HB3 ALA A 94 3.336 -1.111 2.781 1.00 50.13 H new ATOM 1523 N HIS A 95 4.184 -4.536 1.022 1.00 20.42 N ATOM 1524 CA HIS A 95 3.424 -5.364 0.078 1.00 63.12 C ATOM 1525 C HIS A 95 2.201 -6.004 0.751 1.00 55.53 C ATOM 1526 O HIS A 95 2.309 -6.597 1.830 1.00 22.41 O ATOM 1527 CB HIS A 95 4.339 -6.439 -0.524 1.00 33.34 C ATOM 1528 CG HIS A 95 5.402 -5.870 -1.419 1.00 22.42 C ATOM 1529 ND1 HIS A 95 5.496 -6.224 -2.744 1.00 14.12 N ATOM 1530 CD2 HIS A 95 6.377 -4.970 -1.136 1.00 41.02 C ATOM 1531 CE1 HIS A 95 6.510 -5.531 -3.234 1.00 2.21 C ATOM 1532 NE2 HIS A 95 7.074 -4.760 -2.297 1.00 23.11 N ATOM 0 H HIS A 95 4.866 -5.052 1.578 1.00 20.42 H new ATOM 0 HA HIS A 95 3.055 -4.722 -0.722 1.00 63.12 H new ATOM 0 HB2 HIS A 95 4.812 -6.999 0.283 1.00 33.34 H new ATOM 0 HB3 HIS A 95 3.735 -7.147 -1.091 1.00 33.34 H new ATOM 0 HD2 HIS A 95 6.567 -4.508 -0.179 1.00 41.02 H new ATOM 0 HE1 HIS A 95 6.841 -5.581 -4.261 1.00 2.21 H new ATOM 0 HE2 HIS A 95 7.870 -4.135 -2.423 1.00 23.11 H new ATOM 1540 N LEU A 96 1.040 -5.870 0.109 1.00 14.14 N ATOM 1541 CA LEU A 96 -0.226 -6.367 0.666 1.00 14.14 C ATOM 1542 C LEU A 96 -0.450 -7.859 0.367 1.00 62.23 C ATOM 1543 O LEU A 96 0.272 -8.472 -0.423 1.00 3.30 O ATOM 1544 CB LEU A 96 -1.411 -5.547 0.124 1.00 11.11 C ATOM 1545 CG LEU A 96 -1.631 -4.174 0.789 1.00 64.10 C ATOM 1546 CD1 LEU A 96 -0.493 -3.207 0.465 1.00 22.13 C ATOM 1547 CD2 LEU A 96 -2.975 -3.586 0.370 1.00 71.42 C ATOM 0 H LEU A 96 0.947 -5.420 -0.802 1.00 14.14 H new ATOM 0 HA LEU A 96 -0.163 -6.251 1.748 1.00 14.14 H new ATOM 0 HB2 LEU A 96 -1.264 -5.393 -0.945 1.00 11.11 H new ATOM 0 HB3 LEU A 96 -2.321 -6.136 0.240 1.00 11.11 H new ATOM 0 HG LEU A 96 -1.639 -4.324 1.869 1.00 64.10 H new ATOM 0 HD11 LEU A 96 -0.680 -2.249 0.950 1.00 22.13 H new ATOM 0 HD12 LEU A 96 0.449 -3.619 0.827 1.00 22.13 H new ATOM 0 HD13 LEU A 96 -0.434 -3.062 -0.614 1.00 22.13 H new ATOM 0 HD21 LEU A 96 -3.113 -2.617 0.849 1.00 71.42 H new ATOM 0 HD22 LEU A 96 -2.996 -3.462 -0.713 1.00 71.42 H new ATOM 0 HD23 LEU A 96 -3.777 -4.259 0.674 1.00 71.42 H new ATOM 1559 N MET A 97 -1.468 -8.431 1.011 1.00 32.23 N ATOM 1560 CA MET A 97 -1.807 -9.851 0.861 1.00 14.21 C ATOM 1561 C MET A 97 -3.284 -10.013 0.447 1.00 33.34 C ATOM 1562 O MET A 97 -4.110 -9.156 0.758 1.00 13.11 O ATOM 1563 CB MET A 97 -1.542 -10.575 2.188 1.00 64.22 C ATOM 1564 CG MET A 97 -0.160 -10.295 2.760 1.00 3.32 C ATOM 1565 SD MET A 97 0.057 -10.927 4.435 1.00 40.04 S ATOM 1566 CE MET A 97 1.644 -10.204 4.843 1.00 65.41 C ATOM 0 H MET A 97 -2.081 -7.926 1.651 1.00 32.23 H new ATOM 0 HA MET A 97 -1.187 -10.289 0.079 1.00 14.21 H new ATOM 0 HB2 MET A 97 -2.296 -10.274 2.915 1.00 64.22 H new ATOM 0 HB3 MET A 97 -1.655 -11.649 2.037 1.00 64.22 H new ATOM 0 HG2 MET A 97 0.592 -10.741 2.110 1.00 3.32 H new ATOM 0 HG3 MET A 97 0.015 -9.219 2.759 1.00 3.32 H new ATOM 0 HE1 MET A 97 2.300 -10.973 5.251 1.00 65.41 H new ATOM 0 HE2 MET A 97 2.094 -9.783 3.944 1.00 65.41 H new ATOM 0 HE3 MET A 97 1.505 -9.415 5.582 1.00 65.41 H new ATOM 1576 N PRO A 98 -3.638 -11.118 -0.246 1.00 24.42 N ATOM 1577 CA PRO A 98 -5.004 -11.338 -0.787 1.00 11.12 C ATOM 1578 C PRO A 98 -6.160 -11.041 0.195 1.00 63.14 C ATOM 1579 O PRO A 98 -7.249 -10.642 -0.227 1.00 35.42 O ATOM 1580 CB PRO A 98 -4.986 -12.825 -1.153 1.00 64.50 C ATOM 1581 CG PRO A 98 -3.564 -13.094 -1.510 1.00 43.44 C ATOM 1582 CD PRO A 98 -2.737 -12.244 -0.578 1.00 4.44 C ATOM 0 HA PRO A 98 -5.203 -10.654 -1.612 1.00 11.12 H new ATOM 0 HB2 PRO A 98 -5.312 -13.445 -0.318 1.00 64.50 H new ATOM 0 HB3 PRO A 98 -5.654 -13.038 -1.988 1.00 64.50 H new ATOM 0 HG2 PRO A 98 -3.324 -14.151 -1.391 1.00 43.44 H new ATOM 0 HG3 PRO A 98 -3.367 -12.838 -2.551 1.00 43.44 H new ATOM 0 HD2 PRO A 98 -2.441 -12.797 0.313 1.00 4.44 H new ATOM 0 HD3 PRO A 98 -1.821 -11.897 -1.057 1.00 4.44 H new ATOM 1590 N ARG A 99 -5.936 -11.241 1.493 1.00 51.22 N ATOM 1591 CA ARG A 99 -6.993 -11.028 2.498 1.00 41.41 C ATOM 1592 C ARG A 99 -6.844 -9.672 3.211 1.00 55.11 C ATOM 1593 O ARG A 99 -7.764 -9.218 3.898 1.00 31.35 O ATOM 1594 CB ARG A 99 -6.969 -12.161 3.533 1.00 14.23 C ATOM 1595 CG ARG A 99 -7.095 -13.555 2.923 1.00 24.42 C ATOM 1596 CD ARG A 99 -7.029 -14.639 3.991 1.00 42.33 C ATOM 1597 NE ARG A 99 -5.837 -14.511 4.830 1.00 0.11 N ATOM 1598 CZ ARG A 99 -4.902 -15.416 4.931 1.00 65.01 C ATOM 1599 NH1 ARG A 99 -4.948 -16.502 4.223 1.00 4.02 N ATOM 1600 NH2 ARG A 99 -3.908 -15.230 5.735 1.00 63.41 N ATOM 0 H ARG A 99 -5.042 -11.548 1.878 1.00 51.22 H new ATOM 0 HA ARG A 99 -7.948 -11.026 1.973 1.00 41.41 H new ATOM 0 HB2 ARG A 99 -6.039 -12.105 4.098 1.00 14.23 H new ATOM 0 HB3 ARG A 99 -7.783 -12.010 4.242 1.00 14.23 H new ATOM 0 HG2 ARG A 99 -8.038 -13.633 2.382 1.00 24.42 H new ATOM 0 HG3 ARG A 99 -6.297 -13.709 2.197 1.00 24.42 H new ATOM 0 HD2 ARG A 99 -7.920 -14.586 4.617 1.00 42.33 H new ATOM 0 HD3 ARG A 99 -7.033 -15.619 3.514 1.00 42.33 H new ATOM 0 HE ARG A 99 -5.729 -13.655 5.374 1.00 0.11 H new ATOM 0 HH11 ARG A 99 -5.722 -16.657 3.577 1.00 4.02 H new ATOM 0 HH12 ARG A 99 -4.210 -17.201 4.312 1.00 4.02 H new ATOM 0 HH21 ARG A 99 -3.854 -14.376 6.290 1.00 63.41 H new ATOM 0 HH22 ARG A 99 -3.177 -15.937 5.814 1.00 63.41 H new ATOM 1614 N SER A 100 -5.686 -9.034 3.047 1.00 41.22 N ATOM 1615 CA SER A 100 -5.393 -7.751 3.705 1.00 34.41 C ATOM 1616 C SER A 100 -6.329 -6.637 3.220 1.00 5.51 C ATOM 1617 O SER A 100 -6.526 -6.450 2.015 1.00 30.31 O ATOM 1618 CB SER A 100 -3.934 -7.341 3.458 1.00 54.31 C ATOM 1619 OG SER A 100 -3.036 -8.346 3.906 1.00 40.11 O ATOM 0 H SER A 100 -4.928 -9.383 2.461 1.00 41.22 H new ATOM 0 HA SER A 100 -5.556 -7.891 4.774 1.00 34.41 H new ATOM 0 HB2 SER A 100 -3.779 -7.159 2.394 1.00 54.31 H new ATOM 0 HB3 SER A 100 -3.724 -6.405 3.975 1.00 54.31 H new ATOM 0 HG SER A 100 -2.323 -7.934 4.437 1.00 40.11 H new ATOM 1625 N THR A 101 -6.901 -5.896 4.165 1.00 30.41 N ATOM 1626 CA THR A 101 -7.864 -4.832 3.853 1.00 63.54 C ATOM 1627 C THR A 101 -7.312 -3.436 4.177 1.00 21.00 C ATOM 1628 O THR A 101 -6.291 -3.292 4.856 1.00 72.23 O ATOM 1629 CB THR A 101 -9.185 -5.030 4.636 1.00 14.51 C ATOM 1630 OG1 THR A 101 -8.928 -5.010 6.049 1.00 11.21 O ATOM 1631 CG2 THR A 101 -9.858 -6.347 4.258 1.00 13.11 C ATOM 0 H THR A 101 -6.716 -6.011 5.161 1.00 30.41 H new ATOM 0 HA THR A 101 -8.051 -4.897 2.781 1.00 63.54 H new ATOM 0 HB THR A 101 -9.856 -4.212 4.374 1.00 14.51 H new ATOM 0 HG1 THR A 101 -9.769 -5.134 6.536 1.00 11.21 H new ATOM 0 HG21 THR A 101 -10.783 -6.458 4.824 1.00 13.11 H new ATOM 0 HG22 THR A 101 -10.083 -6.348 3.191 1.00 13.11 H new ATOM 0 HG23 THR A 101 -9.190 -7.177 4.489 1.00 13.11 H new ATOM 1639 N VAL A 102 -7.995 -2.410 3.673 1.00 42.35 N ATOM 1640 CA VAL A 102 -7.652 -1.013 3.966 1.00 73.31 C ATOM 1641 C VAL A 102 -8.864 -0.269 4.548 1.00 35.35 C ATOM 1642 O VAL A 102 -10.012 -0.581 4.216 1.00 42.35 O ATOM 1643 CB VAL A 102 -7.148 -0.264 2.700 1.00 33.30 C ATOM 1644 CG1 VAL A 102 -5.902 -0.938 2.128 1.00 11.14 C ATOM 1645 CG2 VAL A 102 -8.247 -0.176 1.642 1.00 0.41 C ATOM 0 H VAL A 102 -8.798 -2.519 3.053 1.00 42.35 H new ATOM 0 HA VAL A 102 -6.846 -1.029 4.699 1.00 73.31 H new ATOM 0 HB VAL A 102 -6.881 0.750 2.996 1.00 33.30 H new ATOM 0 HG11 VAL A 102 -5.569 -0.396 1.243 1.00 11.14 H new ATOM 0 HG12 VAL A 102 -5.110 -0.933 2.876 1.00 11.14 H new ATOM 0 HG13 VAL A 102 -6.137 -1.967 1.856 1.00 11.14 H new ATOM 0 HG21 VAL A 102 -7.868 0.352 0.767 1.00 0.41 H new ATOM 0 HG22 VAL A 102 -8.556 -1.181 1.354 1.00 0.41 H new ATOM 0 HG23 VAL A 102 -9.102 0.363 2.050 1.00 0.41 H new ATOM 1655 N GLU A 103 -8.612 0.700 5.420 1.00 41.41 N ATOM 1656 CA GLU A 103 -9.684 1.493 6.035 1.00 71.14 C ATOM 1657 C GLU A 103 -9.323 2.987 6.090 1.00 33.54 C ATOM 1658 O GLU A 103 -8.275 3.367 6.612 1.00 54.33 O ATOM 1659 CB GLU A 103 -9.997 0.949 7.440 1.00 12.53 C ATOM 1660 CG GLU A 103 -8.767 0.759 8.325 1.00 32.03 C ATOM 1661 CD GLU A 103 -9.079 0.029 9.623 1.00 5.10 C ATOM 1662 OE1 GLU A 103 -9.466 -1.156 9.564 1.00 21.41 O ATOM 1663 OE2 GLU A 103 -8.941 0.632 10.709 1.00 70.22 O ATOM 0 H GLU A 103 -7.673 0.961 5.722 1.00 41.41 H new ATOM 0 HA GLU A 103 -10.575 1.402 5.414 1.00 71.14 H new ATOM 0 HB2 GLU A 103 -10.686 1.632 7.937 1.00 12.53 H new ATOM 0 HB3 GLU A 103 -10.511 -0.007 7.341 1.00 12.53 H new ATOM 0 HG2 GLU A 103 -8.011 0.201 7.773 1.00 32.03 H new ATOM 0 HG3 GLU A 103 -8.338 1.734 8.556 1.00 32.03 H new ATOM 1670 N VAL A 104 -10.192 3.828 5.527 1.00 71.22 N ATOM 1671 CA VAL A 104 -9.960 5.278 5.494 1.00 43.30 C ATOM 1672 C VAL A 104 -10.265 5.950 6.848 1.00 21.50 C ATOM 1673 O VAL A 104 -11.256 5.633 7.516 1.00 55.25 O ATOM 1674 CB VAL A 104 -10.790 5.965 4.377 1.00 74.44 C ATOM 1675 CG1 VAL A 104 -10.426 5.398 3.007 1.00 34.33 C ATOM 1676 CG2 VAL A 104 -12.291 5.828 4.639 1.00 74.13 C ATOM 0 H VAL A 104 -11.064 3.533 5.087 1.00 71.22 H new ATOM 0 HA VAL A 104 -8.899 5.408 5.279 1.00 43.30 H new ATOM 0 HB VAL A 104 -10.546 7.027 4.384 1.00 74.44 H new ATOM 0 HG11 VAL A 104 -11.020 5.894 2.239 1.00 34.33 H new ATOM 0 HG12 VAL A 104 -9.367 5.567 2.813 1.00 34.33 H new ATOM 0 HG13 VAL A 104 -10.631 4.328 2.990 1.00 34.33 H new ATOM 0 HG21 VAL A 104 -12.846 6.319 3.840 1.00 74.13 H new ATOM 0 HG22 VAL A 104 -12.560 4.772 4.672 1.00 74.13 H new ATOM 0 HG23 VAL A 104 -12.538 6.295 5.592 1.00 74.13 H new ATOM 1686 N LEU A 105 -9.395 6.879 7.240 1.00 11.33 N ATOM 1687 CA LEU A 105 -9.539 7.624 8.495 1.00 23.32 C ATOM 1688 C LEU A 105 -9.978 9.074 8.228 1.00 35.13 C ATOM 1689 O LEU A 105 -9.851 9.562 7.111 1.00 45.44 O ATOM 1690 CB LEU A 105 -8.210 7.608 9.265 1.00 75.32 C ATOM 1691 CG LEU A 105 -7.633 6.208 9.547 1.00 23.13 C ATOM 1692 CD1 LEU A 105 -6.341 6.307 10.354 1.00 41.03 C ATOM 1693 CD2 LEU A 105 -8.661 5.333 10.264 1.00 21.01 C ATOM 0 H LEU A 105 -8.570 7.138 6.699 1.00 11.33 H new ATOM 0 HA LEU A 105 -10.310 7.142 9.096 1.00 23.32 H new ATOM 0 HB2 LEU A 105 -7.474 8.180 8.700 1.00 75.32 H new ATOM 0 HB3 LEU A 105 -8.353 8.123 10.215 1.00 75.32 H new ATOM 0 HG LEU A 105 -7.398 5.738 8.592 1.00 23.13 H new ATOM 0 HD11 LEU A 105 -5.951 5.306 10.541 1.00 41.03 H new ATOM 0 HD12 LEU A 105 -5.605 6.884 9.794 1.00 41.03 H new ATOM 0 HD13 LEU A 105 -6.542 6.802 11.304 1.00 41.03 H new ATOM 0 HD21 LEU A 105 -8.232 4.349 10.453 1.00 21.01 H new ATOM 0 HD22 LEU A 105 -8.936 5.797 11.211 1.00 21.01 H new ATOM 0 HD23 LEU A 105 -9.548 5.228 9.640 1.00 21.01 H new