USER MOD reduce.3.24.130724 H: found=0, std=0, add=754, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 755 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 54 SER OG : rot -101:sc= 0.908 USER MOD Set 1.2: A 55 MET CE :methyl -151:sc= 0 (180deg=0) USER MOD Set 2.1: A 18 SER OG : rot 72:sc= 1.69 USER MOD Set 2.2: A 59 LYS NZ :NH3+ -116:sc= 0.942 (180deg=0) USER MOD Set 3.1: A 13 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 16 GLN : amide:sc= -3.82! C(o=-3.8!,f=-2!) USER MOD Single : A 19 GLN : amide:sc= -0.0583 X(o=-0.058,f=-0.32) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0.86 K(o=0.86,f=-2.9) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 172:sc= 1.13 (180deg=1.06) USER MOD Single : A 30 TYR OH : rot 49:sc= 1.12 USER MOD Single : A 34 LYS NZ :NH3+ 131:sc= -0.0802 (180deg=-0.71) USER MOD Single : A 41 THR OG1 : rot 90:sc= 0.743 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.0234 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot -36:sc= 1.78 USER MOD Single : A 49 SER OG : rot -41:sc= 0.349 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot -81:sc= 1.19 USER MOD Single : A 67 LYS NZ :NH3+ 173:sc= 2.11 (180deg=1.99) USER MOD Single : A 68 MET CE :methyl 157:sc= -0.248 (180deg=-0.895) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -136:sc= 1.26 (180deg=0.571) USER MOD Single : A 71 ASN : amide:sc= -2.6 X(o=-2.6,f=-2.7!) USER MOD Single : A 76 SER OG : rot 180:sc= -0.322 USER MOD Single : A 78 SER OG : rot 180:sc= -0.0295 USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.0565 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= -0.15 K(o=-0.15,f=-1.6) USER MOD Single : A 89 THR OG1 : rot 70:sc= 0.004 USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 95 THR OG1 : rot 96:sc= 1.24 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 135 N LEU A 9 -14.749 2.049 7.541 1.00 0.00 N ATOM 136 CA LEU A 9 -13.324 1.811 7.345 1.00 0.00 C ATOM 137 C LEU A 9 -13.264 0.835 6.210 1.00 0.00 C ATOM 138 O LEU A 9 -14.189 0.020 6.066 1.00 0.00 O ATOM 139 CB LEU A 9 -12.553 1.285 8.636 1.00 0.00 C ATOM 140 CG LEU A 9 -12.776 -0.167 9.181 1.00 0.00 C ATOM 141 CD1 LEU A 9 -14.223 -0.498 9.421 1.00 0.00 C ATOM 142 CD2 LEU A 9 -12.076 -1.230 8.335 1.00 0.00 C ATOM 0 HA LEU A 9 -12.806 2.746 7.131 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -11.487 1.388 8.434 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -12.791 1.970 9.450 1.00 0.00 H new ATOM 0 HG LEU A 9 -12.298 -0.182 10.161 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -14.305 -1.518 9.798 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -14.638 0.194 10.154 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -14.776 -0.411 8.486 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -12.265 -2.216 8.760 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -12.460 -1.194 7.315 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -11.003 -1.039 8.326 1.00 0.00 H new ATOM 154 N GLU A 10 -12.267 0.888 5.398 1.00 0.00 N ATOM 155 CA GLU A 10 -12.269 0.025 4.265 1.00 0.00 C ATOM 156 C GLU A 10 -11.346 -1.148 4.372 1.00 0.00 C ATOM 157 O GLU A 10 -10.129 -1.007 4.434 1.00 0.00 O ATOM 158 CB GLU A 10 -12.061 0.757 2.947 1.00 0.00 C ATOM 159 CG GLU A 10 -13.096 1.813 2.662 1.00 0.00 C ATOM 160 CD GLU A 10 -13.229 2.101 1.202 1.00 0.00 C ATOM 161 OE1 GLU A 10 -13.942 1.327 0.525 1.00 0.00 O ATOM 162 OE2 GLU A 10 -12.662 3.086 0.712 1.00 0.00 O ATOM 0 H GLU A 10 -11.458 1.502 5.490 1.00 0.00 H new ATOM 0 HA GLU A 10 -13.281 -0.381 4.264 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -11.075 1.222 2.953 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -12.066 0.030 2.135 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -14.060 1.489 3.055 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -12.830 2.730 3.188 1.00 0.00 H new ATOM 169 N GLU A 11 -11.933 -2.310 4.430 1.00 0.00 N ATOM 170 CA GLU A 11 -11.226 -3.486 4.304 1.00 0.00 C ATOM 171 C GLU A 11 -11.148 -3.828 2.863 1.00 0.00 C ATOM 172 O GLU A 11 -12.167 -3.928 2.167 1.00 0.00 O ATOM 173 CB GLU A 11 -11.865 -4.609 5.063 1.00 0.00 C ATOM 174 CG GLU A 11 -11.203 -5.938 4.787 1.00 0.00 C ATOM 175 CD GLU A 11 -11.748 -7.035 5.643 1.00 0.00 C ATOM 176 OE1 GLU A 11 -12.839 -7.551 5.344 1.00 0.00 O ATOM 177 OE2 GLU A 11 -11.116 -7.374 6.636 1.00 0.00 O ATOM 0 H GLU A 11 -12.936 -2.435 4.570 1.00 0.00 H new ATOM 0 HA GLU A 11 -10.230 -3.344 4.724 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -11.816 -4.396 6.131 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -12.920 -4.669 4.798 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -11.340 -6.198 3.737 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -10.130 -5.848 4.956 1.00 0.00 H new ATOM 184 N PHE A 12 -9.982 -3.957 2.425 1.00 0.00 N ATOM 185 CA PHE A 12 -9.706 -4.315 1.116 1.00 0.00 C ATOM 186 C PHE A 12 -8.973 -5.590 1.077 1.00 0.00 C ATOM 187 O PHE A 12 -8.064 -5.769 1.818 1.00 0.00 O ATOM 188 CB PHE A 12 -8.825 -3.310 0.508 1.00 0.00 C ATOM 189 CG PHE A 12 -9.464 -2.038 0.038 1.00 0.00 C ATOM 190 CD1 PHE A 12 -10.066 -1.979 -1.201 1.00 0.00 C ATOM 191 CD2 PHE A 12 -9.444 -0.892 0.822 1.00 0.00 C ATOM 192 CE1 PHE A 12 -10.638 -0.811 -1.649 1.00 0.00 C ATOM 193 CE2 PHE A 12 -10.011 0.280 0.369 1.00 0.00 C ATOM 194 CZ PHE A 12 -10.610 0.319 -0.867 1.00 0.00 C ATOM 0 H PHE A 12 -9.150 -3.809 2.996 1.00 0.00 H new ATOM 0 HA PHE A 12 -10.654 -4.396 0.584 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -8.053 -3.053 1.234 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -8.322 -3.771 -0.342 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -10.089 -2.859 -1.826 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -8.979 -0.919 1.797 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -11.111 -0.782 -2.619 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -9.984 1.167 0.985 1.00 0.00 H new ATOM 0 HZ PHE A 12 -11.058 1.235 -1.223 1.00 0.00 H new ATOM 204 N THR A 13 -9.350 -6.470 0.223 1.00 0.00 N ATOM 205 CA THR A 13 -8.592 -7.661 0.061 1.00 0.00 C ATOM 206 C THR A 13 -7.588 -7.417 -1.092 1.00 0.00 C ATOM 207 O THR A 13 -7.830 -6.574 -1.938 1.00 0.00 O ATOM 208 CB THR A 13 -9.499 -8.853 -0.210 1.00 0.00 C ATOM 209 OG1 THR A 13 -10.608 -8.813 0.712 1.00 0.00 O ATOM 210 CG2 THR A 13 -8.753 -10.138 0.022 1.00 0.00 C ATOM 0 H THR A 13 -10.174 -6.392 -0.373 1.00 0.00 H new ATOM 0 HA THR A 13 -8.049 -7.901 0.975 1.00 0.00 H new ATOM 0 HB THR A 13 -9.843 -8.807 -1.243 1.00 0.00 H new ATOM 0 HG1 THR A 13 -11.200 -9.576 0.545 1.00 0.00 H new ATOM 0 HG21 THR A 13 -9.413 -10.983 -0.175 1.00 0.00 H new ATOM 0 HG22 THR A 13 -7.893 -10.185 -0.646 1.00 0.00 H new ATOM 0 HG23 THR A 13 -8.411 -10.179 1.056 1.00 0.00 H new ATOM 218 N ALA A 14 -6.496 -8.143 -1.104 1.00 0.00 N ATOM 219 CA ALA A 14 -5.343 -7.877 -2.015 1.00 0.00 C ATOM 220 C ALA A 14 -5.672 -7.768 -3.532 1.00 0.00 C ATOM 221 O ALA A 14 -5.229 -6.810 -4.199 1.00 0.00 O ATOM 222 CB ALA A 14 -4.225 -8.874 -1.770 1.00 0.00 C ATOM 0 H ALA A 14 -6.354 -8.945 -0.490 1.00 0.00 H new ATOM 0 HA ALA A 14 -5.018 -6.871 -1.748 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -3.395 -8.663 -2.444 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.884 -8.792 -0.738 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -4.592 -9.884 -1.952 1.00 0.00 H new ATOM 228 N GLU A 15 -6.450 -8.693 -4.076 1.00 0.00 N ATOM 229 CA GLU A 15 -6.790 -8.626 -5.506 1.00 0.00 C ATOM 230 C GLU A 15 -7.767 -7.486 -5.757 1.00 0.00 C ATOM 231 O GLU A 15 -7.714 -6.814 -6.782 1.00 0.00 O ATOM 232 CB GLU A 15 -7.340 -9.960 -6.038 1.00 0.00 C ATOM 233 CG GLU A 15 -6.362 -11.123 -5.930 1.00 0.00 C ATOM 234 CD GLU A 15 -6.907 -12.412 -6.506 1.00 0.00 C ATOM 235 OE1 GLU A 15 -6.743 -12.641 -7.723 1.00 0.00 O ATOM 236 OE2 GLU A 15 -7.497 -13.219 -5.762 1.00 0.00 O ATOM 0 H GLU A 15 -6.853 -9.483 -3.572 1.00 0.00 H new ATOM 0 HA GLU A 15 -5.871 -8.430 -6.058 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -8.248 -10.211 -5.490 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -7.623 -9.833 -7.083 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -5.439 -10.863 -6.447 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -6.107 -11.279 -4.882 1.00 0.00 H new ATOM 243 N GLN A 16 -8.624 -7.263 -4.791 1.00 0.00 N ATOM 244 CA GLN A 16 -9.570 -6.172 -4.820 1.00 0.00 C ATOM 245 C GLN A 16 -8.879 -4.822 -4.722 1.00 0.00 C ATOM 246 O GLN A 16 -9.250 -3.891 -5.404 1.00 0.00 O ATOM 247 CB GLN A 16 -10.551 -6.348 -3.710 1.00 0.00 C ATOM 248 CG GLN A 16 -11.556 -7.422 -3.988 1.00 0.00 C ATOM 249 CD GLN A 16 -12.248 -7.818 -2.758 1.00 0.00 C ATOM 250 OE1 GLN A 16 -13.277 -7.251 -2.367 1.00 0.00 O ATOM 251 NE2 GLN A 16 -11.710 -8.805 -2.147 1.00 0.00 N ATOM 0 H GLN A 16 -8.686 -7.840 -3.952 1.00 0.00 H new ATOM 0 HA GLN A 16 -10.092 -6.189 -5.777 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -10.015 -6.588 -2.792 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -11.071 -5.406 -3.538 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -12.281 -7.067 -4.720 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -11.058 -8.288 -4.426 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -10.861 -9.233 -2.517 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -12.130 -9.164 -1.290 1.00 0.00 H new ATOM 260 N LEU A 17 -7.857 -4.745 -3.874 1.00 0.00 N ATOM 261 CA LEU A 17 -7.064 -3.523 -3.666 1.00 0.00 C ATOM 262 C LEU A 17 -6.450 -3.126 -5.015 1.00 0.00 C ATOM 263 O LEU A 17 -6.417 -1.954 -5.386 1.00 0.00 O ATOM 264 CB LEU A 17 -5.927 -3.828 -2.639 1.00 0.00 C ATOM 265 CG LEU A 17 -5.208 -2.638 -1.916 1.00 0.00 C ATOM 266 CD1 LEU A 17 -4.651 -1.622 -2.836 1.00 0.00 C ATOM 267 CD2 LEU A 17 -6.087 -1.992 -0.899 1.00 0.00 C ATOM 0 H LEU A 17 -7.548 -5.532 -3.304 1.00 0.00 H new ATOM 0 HA LEU A 17 -7.686 -2.714 -3.283 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -6.346 -4.474 -1.868 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -5.163 -4.406 -3.158 1.00 0.00 H new ATOM 0 HG LEU A 17 -4.358 -3.094 -1.408 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -4.170 -0.832 -2.258 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -3.917 -2.089 -3.493 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.455 -1.195 -3.436 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -5.550 -1.172 -0.422 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -6.982 -1.605 -1.385 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -6.372 -2.726 -0.146 1.00 0.00 H new ATOM 279 N SER A 18 -6.027 -4.138 -5.759 1.00 0.00 N ATOM 280 CA SER A 18 -5.398 -3.966 -7.059 1.00 0.00 C ATOM 281 C SER A 18 -6.339 -3.276 -8.060 1.00 0.00 C ATOM 282 O SER A 18 -5.897 -2.648 -9.022 1.00 0.00 O ATOM 283 CB SER A 18 -4.949 -5.328 -7.586 1.00 0.00 C ATOM 284 OG SER A 18 -4.061 -5.966 -6.659 1.00 0.00 O ATOM 0 H SER A 18 -6.112 -5.113 -5.473 1.00 0.00 H new ATOM 0 HA SER A 18 -4.530 -3.317 -6.941 1.00 0.00 H new ATOM 0 HB2 SER A 18 -5.819 -5.961 -7.757 1.00 0.00 H new ATOM 0 HB3 SER A 18 -4.451 -5.204 -8.547 1.00 0.00 H new ATOM 0 HG SER A 18 -4.568 -6.272 -5.878 1.00 0.00 H new ATOM 290 N GLN A 19 -7.624 -3.346 -7.785 1.00 0.00 N ATOM 291 CA GLN A 19 -8.642 -2.778 -8.648 1.00 0.00 C ATOM 292 C GLN A 19 -8.864 -1.302 -8.315 1.00 0.00 C ATOM 293 O GLN A 19 -9.715 -0.647 -8.904 1.00 0.00 O ATOM 294 CB GLN A 19 -9.946 -3.550 -8.470 1.00 0.00 C ATOM 295 CG GLN A 19 -9.826 -5.028 -8.789 1.00 0.00 C ATOM 296 CD GLN A 19 -11.086 -5.806 -8.473 1.00 0.00 C ATOM 297 OE1 GLN A 19 -12.203 -5.276 -8.530 1.00 0.00 O ATOM 298 NE2 GLN A 19 -10.919 -7.060 -8.128 1.00 0.00 N ATOM 0 H GLN A 19 -7.996 -3.801 -6.951 1.00 0.00 H new ATOM 0 HA GLN A 19 -8.310 -2.853 -9.683 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -10.289 -3.436 -7.442 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -10.710 -3.109 -9.111 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -9.587 -5.148 -9.846 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -8.994 -5.449 -8.225 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -9.981 -7.459 -8.093 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -11.727 -7.637 -7.894 1.00 0.00 H new ATOM 307 N TYR A 20 -8.108 -0.791 -7.361 1.00 0.00 N ATOM 308 CA TYR A 20 -8.211 0.600 -6.931 1.00 0.00 C ATOM 309 C TYR A 20 -6.911 1.340 -7.167 1.00 0.00 C ATOM 310 O TYR A 20 -6.603 2.289 -6.475 1.00 0.00 O ATOM 311 CB TYR A 20 -8.618 0.687 -5.445 1.00 0.00 C ATOM 312 CG TYR A 20 -10.035 0.206 -5.147 1.00 0.00 C ATOM 313 CD1 TYR A 20 -10.350 -1.138 -5.162 1.00 0.00 C ATOM 314 CD2 TYR A 20 -11.053 1.108 -4.849 1.00 0.00 C ATOM 315 CE1 TYR A 20 -11.627 -1.584 -4.899 1.00 0.00 C ATOM 316 CE2 TYR A 20 -12.341 0.668 -4.579 1.00 0.00 C ATOM 317 CZ TYR A 20 -12.619 -0.682 -4.608 1.00 0.00 C ATOM 318 OH TYR A 20 -13.893 -1.131 -4.348 1.00 0.00 O ATOM 0 H TYR A 20 -7.401 -1.327 -6.858 1.00 0.00 H new ATOM 0 HA TYR A 20 -8.988 1.076 -7.529 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -7.916 0.098 -4.854 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -8.522 1.722 -5.115 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -9.576 -1.858 -5.385 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -10.837 2.166 -4.828 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -11.846 -2.641 -4.922 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -13.121 1.379 -4.348 1.00 0.00 H new ATOM 0 HH TYR A 20 -14.477 -0.367 -4.159 1.00 0.00 H new ATOM 328 N ASN A 21 -6.173 0.939 -8.200 1.00 0.00 N ATOM 329 CA ASN A 21 -4.916 1.634 -8.511 1.00 0.00 C ATOM 330 C ASN A 21 -5.174 2.920 -9.317 1.00 0.00 C ATOM 331 O ASN A 21 -4.248 3.626 -9.704 1.00 0.00 O ATOM 332 CB ASN A 21 -3.876 0.730 -9.224 1.00 0.00 C ATOM 333 CG ASN A 21 -4.232 0.334 -10.634 1.00 0.00 C ATOM 334 OD1 ASN A 21 -3.914 1.045 -11.582 1.00 0.00 O ATOM 335 ND2 ASN A 21 -4.853 -0.806 -10.798 1.00 0.00 N ATOM 0 H ASN A 21 -6.408 0.164 -8.820 1.00 0.00 H new ATOM 0 HA ASN A 21 -4.477 1.908 -7.551 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -2.917 1.249 -9.240 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -3.739 -0.175 -8.633 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -5.088 -1.129 -11.737 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -5.102 -1.372 -9.987 1.00 0.00 H new ATOM 342 N GLY A 22 -6.444 3.206 -9.561 1.00 0.00 N ATOM 343 CA GLY A 22 -6.819 4.436 -10.227 1.00 0.00 C ATOM 344 C GLY A 22 -6.939 4.328 -11.715 1.00 0.00 C ATOM 345 O GLY A 22 -7.422 5.253 -12.370 1.00 0.00 O ATOM 0 H GLY A 22 -7.227 2.603 -9.307 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -7.772 4.777 -9.823 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -6.080 5.202 -9.990 1.00 0.00 H new ATOM 349 N THR A 23 -6.525 3.220 -12.260 1.00 0.00 N ATOM 350 CA THR A 23 -6.533 3.053 -13.696 1.00 0.00 C ATOM 351 C THR A 23 -7.939 2.813 -14.238 1.00 0.00 C ATOM 352 O THR A 23 -8.194 3.041 -15.427 1.00 0.00 O ATOM 353 CB THR A 23 -5.587 1.919 -14.145 1.00 0.00 C ATOM 354 OG1 THR A 23 -5.446 1.909 -15.572 1.00 0.00 O ATOM 355 CG2 THR A 23 -6.108 0.560 -13.699 1.00 0.00 C ATOM 0 H THR A 23 -6.177 2.416 -11.738 1.00 0.00 H new ATOM 0 HA THR A 23 -6.167 3.990 -14.115 1.00 0.00 H new ATOM 0 HB THR A 23 -4.619 2.106 -13.680 1.00 0.00 H new ATOM 0 HG1 THR A 23 -4.842 1.184 -15.836 1.00 0.00 H new ATOM 0 HG21 THR A 23 -5.421 -0.219 -14.029 1.00 0.00 H new ATOM 0 HG22 THR A 23 -6.185 0.539 -12.612 1.00 0.00 H new ATOM 0 HG23 THR A 23 -7.091 0.386 -14.136 1.00 0.00 H new ATOM 363 N ASP A 24 -8.855 2.386 -13.382 1.00 0.00 N ATOM 364 CA ASP A 24 -10.193 2.096 -13.844 1.00 0.00 C ATOM 365 C ASP A 24 -10.928 3.399 -14.045 1.00 0.00 C ATOM 366 O ASP A 24 -11.467 3.970 -13.080 1.00 0.00 O ATOM 367 CB ASP A 24 -10.967 1.225 -12.856 1.00 0.00 C ATOM 368 CG ASP A 24 -12.299 0.708 -13.404 1.00 0.00 C ATOM 369 OD1 ASP A 24 -13.314 1.420 -13.318 1.00 0.00 O ATOM 370 OD2 ASP A 24 -12.342 -0.435 -13.912 1.00 0.00 O ATOM 0 H ASP A 24 -8.697 2.237 -12.385 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.117 1.542 -14.779 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -10.347 0.375 -12.571 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -11.156 1.800 -11.949 1.00 0.00 H new ATOM 375 N GLU A 25 -10.837 3.917 -15.262 1.00 0.00 N ATOM 376 CA GLU A 25 -11.484 5.128 -15.709 1.00 0.00 C ATOM 377 C GLU A 25 -10.886 6.374 -15.068 1.00 0.00 C ATOM 378 O GLU A 25 -10.253 7.183 -15.759 1.00 0.00 O ATOM 379 CB GLU A 25 -13.005 5.060 -15.522 1.00 0.00 C ATOM 380 CG GLU A 25 -13.655 3.905 -16.274 1.00 0.00 C ATOM 381 CD GLU A 25 -13.408 3.978 -17.763 1.00 0.00 C ATOM 382 OE1 GLU A 25 -14.193 4.652 -18.469 1.00 0.00 O ATOM 383 OE2 GLU A 25 -12.431 3.380 -18.249 1.00 0.00 O ATOM 0 H GLU A 25 -10.281 3.477 -15.995 1.00 0.00 H new ATOM 0 HA GLU A 25 -11.294 5.210 -16.779 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -13.229 4.964 -14.460 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -13.447 5.998 -15.858 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -13.268 2.961 -15.890 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -14.729 3.910 -16.085 1.00 0.00 H new ATOM 390 N SER A 26 -11.032 6.488 -13.759 1.00 0.00 N ATOM 391 CA SER A 26 -10.638 7.668 -13.011 1.00 0.00 C ATOM 392 C SER A 26 -10.923 7.470 -11.507 1.00 0.00 C ATOM 393 O SER A 26 -11.008 8.442 -10.738 1.00 0.00 O ATOM 394 CB SER A 26 -11.454 8.833 -13.549 1.00 0.00 C ATOM 395 OG SER A 26 -12.850 8.558 -13.441 1.00 0.00 O ATOM 0 H SER A 26 -11.434 5.752 -13.178 1.00 0.00 H new ATOM 0 HA SER A 26 -9.570 7.856 -13.124 1.00 0.00 H new ATOM 0 HB2 SER A 26 -11.212 9.740 -12.995 1.00 0.00 H new ATOM 0 HB3 SER A 26 -11.193 9.017 -14.591 1.00 0.00 H new ATOM 0 HG SER A 26 -13.361 9.318 -13.790 1.00 0.00 H new ATOM 401 N LYS A 27 -11.017 6.216 -11.092 1.00 0.00 N ATOM 402 CA LYS A 27 -11.401 5.892 -9.723 1.00 0.00 C ATOM 403 C LYS A 27 -10.282 6.234 -8.707 1.00 0.00 C ATOM 404 O LYS A 27 -9.120 6.399 -9.094 1.00 0.00 O ATOM 405 CB LYS A 27 -11.788 4.406 -9.620 1.00 0.00 C ATOM 406 CG LYS A 27 -10.666 3.421 -9.826 1.00 0.00 C ATOM 407 CD LYS A 27 -11.170 2.000 -9.636 1.00 0.00 C ATOM 408 CE LYS A 27 -11.724 1.753 -8.241 1.00 0.00 C ATOM 409 NZ LYS A 27 -12.209 0.366 -8.102 1.00 0.00 N ATOM 0 H LYS A 27 -10.833 5.405 -11.682 1.00 0.00 H new ATOM 0 HA LYS A 27 -12.264 6.507 -9.469 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -12.224 4.231 -8.637 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -12.566 4.201 -10.355 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -10.251 3.536 -10.827 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -9.860 3.625 -9.122 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.947 1.793 -10.372 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -10.355 1.302 -9.827 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -10.950 1.947 -7.499 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -12.539 2.449 -8.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -12.456 0.182 -7.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -13.050 0.231 -8.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -11.463 -0.294 -8.401 1.00 0.00 H new ATOM 423 N PRO A 28 -10.649 6.375 -7.400 1.00 0.00 N ATOM 424 CA PRO A 28 -9.703 6.636 -6.292 1.00 0.00 C ATOM 425 C PRO A 28 -8.538 5.646 -6.240 1.00 0.00 C ATOM 426 O PRO A 28 -8.667 4.478 -6.654 1.00 0.00 O ATOM 427 CB PRO A 28 -10.571 6.512 -5.029 1.00 0.00 C ATOM 428 CG PRO A 28 -11.817 5.853 -5.489 1.00 0.00 C ATOM 429 CD PRO A 28 -12.020 6.321 -6.889 1.00 0.00 C ATOM 0 HA PRO A 28 -9.227 7.610 -6.407 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -10.071 5.921 -4.262 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -10.778 7.490 -4.594 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -11.726 4.768 -5.447 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -12.662 6.126 -4.857 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -12.641 5.633 -7.462 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -12.507 7.296 -6.926 1.00 0.00 H new ATOM 437 N ILE A 29 -7.417 6.118 -5.724 1.00 0.00 N ATOM 438 CA ILE A 29 -6.192 5.352 -5.696 1.00 0.00 C ATOM 439 C ILE A 29 -5.854 4.994 -4.241 1.00 0.00 C ATOM 440 O ILE A 29 -5.924 5.865 -3.348 1.00 0.00 O ATOM 441 CB ILE A 29 -4.968 6.139 -6.318 1.00 0.00 C ATOM 442 CG1 ILE A 29 -5.242 6.680 -7.739 1.00 0.00 C ATOM 443 CG2 ILE A 29 -3.761 5.243 -6.379 1.00 0.00 C ATOM 444 CD1 ILE A 29 -6.177 7.863 -7.839 1.00 0.00 C ATOM 0 H ILE A 29 -7.335 7.047 -5.312 1.00 0.00 H new ATOM 0 HA ILE A 29 -6.356 4.458 -6.298 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.797 6.995 -5.665 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -4.289 6.959 -8.188 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -5.652 5.869 -8.340 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -2.922 5.791 -6.808 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -3.502 4.913 -5.373 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.983 4.375 -7.000 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -6.290 8.150 -8.884 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -7.150 7.593 -7.430 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -5.766 8.700 -7.275 1.00 0.00 H new ATOM 456 N TYR A 30 -5.488 3.743 -3.995 1.00 0.00 N ATOM 457 CA TYR A 30 -5.180 3.284 -2.641 1.00 0.00 C ATOM 458 C TYR A 30 -3.936 2.450 -2.577 1.00 0.00 C ATOM 459 O TYR A 30 -3.781 1.492 -3.303 1.00 0.00 O ATOM 460 CB TYR A 30 -6.359 2.517 -2.018 1.00 0.00 C ATOM 461 CG TYR A 30 -7.562 3.375 -1.768 1.00 0.00 C ATOM 462 CD1 TYR A 30 -7.611 4.179 -0.660 1.00 0.00 C ATOM 463 CD2 TYR A 30 -8.635 3.398 -2.644 1.00 0.00 C ATOM 464 CE1 TYR A 30 -8.681 4.988 -0.420 1.00 0.00 C ATOM 465 CE2 TYR A 30 -9.723 4.206 -2.406 1.00 0.00 C ATOM 466 CZ TYR A 30 -9.731 5.005 -1.286 1.00 0.00 C ATOM 467 OH TYR A 30 -10.790 5.842 -1.032 1.00 0.00 O ATOM 0 H TYR A 30 -5.396 3.025 -4.714 1.00 0.00 H new ATOM 0 HA TYR A 30 -5.001 4.187 -2.058 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -6.638 1.696 -2.679 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -6.037 2.073 -1.076 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -6.786 4.172 0.037 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -8.617 2.774 -3.525 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -8.696 5.616 0.458 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -10.559 4.213 -3.089 1.00 0.00 H new ATOM 0 HH TYR A 30 -10.455 6.740 -0.828 1.00 0.00 H new ATOM 477 N VAL A 31 -3.083 2.792 -1.656 1.00 0.00 N ATOM 478 CA VAL A 31 -1.860 2.061 -1.444 1.00 0.00 C ATOM 479 C VAL A 31 -1.958 1.371 -0.125 1.00 0.00 C ATOM 480 O VAL A 31 -2.718 1.797 0.749 1.00 0.00 O ATOM 481 CB VAL A 31 -0.590 2.971 -1.395 1.00 0.00 C ATOM 482 CG1 VAL A 31 -0.297 3.646 -2.705 1.00 0.00 C ATOM 483 CG2 VAL A 31 -0.681 3.994 -0.285 1.00 0.00 C ATOM 0 H VAL A 31 -3.212 3.586 -1.028 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.748 1.375 -2.284 1.00 0.00 H new ATOM 0 HB VAL A 31 0.245 2.302 -1.187 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.596 4.263 -2.605 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.132 2.892 -3.474 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.142 4.274 -2.988 1.00 0.00 H new ATOM 0 HG21 VAL A 31 0.219 4.608 -0.282 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.553 4.628 -0.445 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.775 3.484 0.673 1.00 0.00 H new ATOM 493 N ALA A 32 -1.226 0.329 0.034 1.00 0.00 N ATOM 494 CA ALA A 32 -1.216 -0.365 1.267 1.00 0.00 C ATOM 495 C ALA A 32 0.202 -0.614 1.684 1.00 0.00 C ATOM 496 O ALA A 32 1.055 -0.929 0.858 1.00 0.00 O ATOM 497 CB ALA A 32 -2.003 -1.660 1.164 1.00 0.00 C ATOM 0 H ALA A 32 -0.619 -0.065 -0.685 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.701 0.244 2.029 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -1.981 -2.176 2.124 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.036 -1.438 0.895 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -1.558 -2.297 0.399 1.00 0.00 H new ATOM 503 N ILE A 33 0.477 -0.408 2.926 1.00 0.00 N ATOM 504 CA ILE A 33 1.776 -0.679 3.453 1.00 0.00 C ATOM 505 C ILE A 33 1.620 -1.462 4.716 1.00 0.00 C ATOM 506 O ILE A 33 1.054 -0.952 5.693 1.00 0.00 O ATOM 507 CB ILE A 33 2.554 0.626 3.789 1.00 0.00 C ATOM 508 CG1 ILE A 33 2.732 1.513 2.562 1.00 0.00 C ATOM 509 CG2 ILE A 33 3.909 0.309 4.405 1.00 0.00 C ATOM 510 CD1 ILE A 33 3.482 2.788 2.863 1.00 0.00 C ATOM 0 H ILE A 33 -0.190 -0.047 3.608 1.00 0.00 H new ATOM 0 HA ILE A 33 2.337 -1.229 2.698 1.00 0.00 H new ATOM 0 HB ILE A 33 1.955 1.175 4.516 1.00 0.00 H new ATOM 0 HG12 ILE A 33 3.266 0.956 1.792 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.752 1.761 2.154 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.433 1.238 4.630 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.767 -0.260 5.324 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.500 -0.279 3.702 1.00 0.00 H new ATOM 0 HD11 ILE A 33 3.577 3.378 1.951 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.937 3.363 3.612 1.00 0.00 H new ATOM 0 HD13 ILE A 33 4.474 2.545 3.244 1.00 0.00 H new ATOM 522 N LYS A 34 2.045 -2.723 4.684 1.00 0.00 N ATOM 523 CA LYS A 34 2.102 -3.575 5.872 1.00 0.00 C ATOM 524 C LYS A 34 0.646 -3.890 6.316 1.00 0.00 C ATOM 525 O LYS A 34 0.373 -4.391 7.394 1.00 0.00 O ATOM 526 CB LYS A 34 3.013 -2.826 6.932 1.00 0.00 C ATOM 527 CG LYS A 34 3.420 -3.517 8.243 1.00 0.00 C ATOM 528 CD LYS A 34 2.319 -3.551 9.277 1.00 0.00 C ATOM 529 CE LYS A 34 2.839 -4.031 10.603 1.00 0.00 C ATOM 530 NZ LYS A 34 3.860 -3.107 11.153 1.00 0.00 N ATOM 0 H LYS A 34 2.361 -3.185 3.831 1.00 0.00 H new ATOM 0 HA LYS A 34 2.561 -4.550 5.709 1.00 0.00 H new ATOM 0 HB2 LYS A 34 3.932 -2.541 6.421 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.499 -1.903 7.202 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.733 -4.538 8.024 1.00 0.00 H new ATOM 0 HG3 LYS A 34 4.284 -3.002 8.662 1.00 0.00 H new ATOM 0 HD2 LYS A 34 1.890 -2.555 9.390 1.00 0.00 H new ATOM 0 HD3 LYS A 34 1.517 -4.207 8.938 1.00 0.00 H new ATOM 0 HE2 LYS A 34 2.012 -4.123 11.308 1.00 0.00 H new ATOM 0 HE3 LYS A 34 3.271 -5.025 10.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 3.632 -2.888 12.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 4.797 -3.556 11.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 3.868 -2.228 10.597 1.00 0.00 H new ATOM 544 N GLY A 35 -0.264 -3.660 5.400 1.00 0.00 N ATOM 545 CA GLY A 35 -1.650 -3.870 5.648 1.00 0.00 C ATOM 546 C GLY A 35 -2.418 -2.586 5.826 1.00 0.00 C ATOM 547 O GLY A 35 -3.625 -2.596 5.799 1.00 0.00 O ATOM 0 H GLY A 35 -0.052 -3.321 4.462 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.080 -4.432 4.819 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.765 -4.482 6.542 1.00 0.00 H new ATOM 551 N ARG A 36 -1.726 -1.480 5.991 1.00 0.00 N ATOM 552 CA ARG A 36 -2.383 -0.207 6.218 1.00 0.00 C ATOM 553 C ARG A 36 -2.674 0.462 4.885 1.00 0.00 C ATOM 554 O ARG A 36 -1.757 0.759 4.132 1.00 0.00 O ATOM 555 CB ARG A 36 -1.500 0.680 7.109 1.00 0.00 C ATOM 556 CG ARG A 36 -1.116 -0.016 8.407 1.00 0.00 C ATOM 557 CD ARG A 36 -0.259 0.846 9.337 1.00 0.00 C ATOM 558 NE ARG A 36 -0.910 2.103 9.761 1.00 0.00 N ATOM 559 CZ ARG A 36 -1.729 2.248 10.826 1.00 0.00 C ATOM 560 NH1 ARG A 36 -2.121 1.190 11.532 1.00 0.00 N ATOM 561 NH2 ARG A 36 -2.140 3.459 11.184 1.00 0.00 N ATOM 0 H ARG A 36 -0.707 -1.434 5.973 1.00 0.00 H new ATOM 0 HA ARG A 36 -3.331 -0.366 6.732 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -0.597 0.955 6.565 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.029 1.605 7.337 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.024 -0.311 8.933 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -0.573 -0.931 8.171 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -0.004 0.264 10.223 1.00 0.00 H new ATOM 0 HD3 ARG A 36 0.677 1.086 8.833 1.00 0.00 H new ATOM 0 HE ARG A 36 -0.725 2.935 9.200 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -1.803 0.257 11.271 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -2.739 1.313 12.334 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -1.837 4.277 10.655 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -2.758 3.571 11.988 1.00 0.00 H new ATOM 575 N VAL A 37 -3.942 0.661 4.589 1.00 0.00 N ATOM 576 CA VAL A 37 -4.356 1.269 3.331 1.00 0.00 C ATOM 577 C VAL A 37 -4.497 2.767 3.479 1.00 0.00 C ATOM 578 O VAL A 37 -5.204 3.246 4.362 1.00 0.00 O ATOM 579 CB VAL A 37 -5.689 0.662 2.807 1.00 0.00 C ATOM 580 CG1 VAL A 37 -6.155 1.361 1.540 1.00 0.00 C ATOM 581 CG2 VAL A 37 -5.508 -0.805 2.528 1.00 0.00 C ATOM 0 H VAL A 37 -4.714 0.409 5.206 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.576 1.054 2.600 1.00 0.00 H new ATOM 0 HB VAL A 37 -6.447 0.804 3.578 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -7.089 0.913 1.200 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -6.314 2.419 1.746 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.397 1.252 0.765 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -6.445 -1.224 2.161 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.731 -0.939 1.775 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -5.216 -1.317 3.445 1.00 0.00 H new ATOM 591 N PHE A 38 -3.836 3.487 2.620 1.00 0.00 N ATOM 592 CA PHE A 38 -3.854 4.931 2.635 1.00 0.00 C ATOM 593 C PHE A 38 -4.544 5.445 1.383 1.00 0.00 C ATOM 594 O PHE A 38 -4.394 4.854 0.302 1.00 0.00 O ATOM 595 CB PHE A 38 -2.431 5.473 2.638 1.00 0.00 C ATOM 596 CG PHE A 38 -1.558 5.024 3.779 1.00 0.00 C ATOM 597 CD1 PHE A 38 -0.825 3.850 3.690 1.00 0.00 C ATOM 598 CD2 PHE A 38 -1.459 5.777 4.925 1.00 0.00 C ATOM 599 CE1 PHE A 38 -0.016 3.444 4.727 1.00 0.00 C ATOM 600 CE2 PHE A 38 -0.651 5.375 5.966 1.00 0.00 C ATOM 601 CZ PHE A 38 0.072 4.206 5.866 1.00 0.00 C ATOM 0 H PHE A 38 -3.261 3.088 1.878 1.00 0.00 H new ATOM 0 HA PHE A 38 -4.383 5.259 3.529 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.951 5.184 1.703 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.478 6.562 2.649 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -0.890 3.247 2.796 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -2.022 6.695 5.010 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.549 2.527 4.645 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.584 5.976 6.861 1.00 0.00 H new ATOM 0 HZ PHE A 38 0.706 3.890 6.681 1.00 0.00 H new ATOM 611 N ASP A 39 -5.289 6.529 1.514 1.00 0.00 N ATOM 612 CA ASP A 39 -5.937 7.146 0.354 1.00 0.00 C ATOM 613 C ASP A 39 -4.941 8.081 -0.289 1.00 0.00 C ATOM 614 O ASP A 39 -4.504 9.055 0.332 1.00 0.00 O ATOM 615 CB ASP A 39 -7.197 7.944 0.755 1.00 0.00 C ATOM 616 CG ASP A 39 -8.025 8.434 -0.450 1.00 0.00 C ATOM 617 OD1 ASP A 39 -7.521 9.237 -1.266 1.00 0.00 O ATOM 618 OD2 ASP A 39 -9.222 8.047 -0.570 1.00 0.00 O ATOM 0 H ASP A 39 -5.463 7.002 2.401 1.00 0.00 H new ATOM 0 HA ASP A 39 -6.251 6.361 -0.333 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -7.827 7.319 1.388 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -6.897 8.804 1.353 1.00 0.00 H new ATOM 623 N VAL A 40 -4.559 7.780 -1.499 1.00 0.00 N ATOM 624 CA VAL A 40 -3.588 8.590 -2.219 1.00 0.00 C ATOM 625 C VAL A 40 -4.201 9.134 -3.492 1.00 0.00 C ATOM 626 O VAL A 40 -3.495 9.468 -4.448 1.00 0.00 O ATOM 627 CB VAL A 40 -2.296 7.792 -2.561 1.00 0.00 C ATOM 628 CG1 VAL A 40 -1.528 7.430 -1.310 1.00 0.00 C ATOM 629 CG2 VAL A 40 -2.623 6.538 -3.342 1.00 0.00 C ATOM 0 H VAL A 40 -4.903 6.974 -2.020 1.00 0.00 H new ATOM 0 HA VAL A 40 -3.307 9.414 -1.563 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.671 8.437 -3.178 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.631 6.873 -1.582 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.244 8.340 -0.781 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.154 6.815 -0.664 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.703 6.000 -3.568 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.280 5.901 -2.749 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -3.122 6.809 -4.272 1.00 0.00 H new ATOM 639 N THR A 41 -5.509 9.279 -3.474 1.00 0.00 N ATOM 640 CA THR A 41 -6.253 9.741 -4.626 1.00 0.00 C ATOM 641 C THR A 41 -5.856 11.179 -5.012 1.00 0.00 C ATOM 642 O THR A 41 -5.860 11.554 -6.198 1.00 0.00 O ATOM 643 CB THR A 41 -7.756 9.671 -4.334 1.00 0.00 C ATOM 644 OG1 THR A 41 -8.073 8.354 -3.874 1.00 0.00 O ATOM 645 CG2 THR A 41 -8.561 9.968 -5.583 1.00 0.00 C ATOM 0 H THR A 41 -6.088 9.079 -2.658 1.00 0.00 H new ATOM 0 HA THR A 41 -6.014 9.091 -5.468 1.00 0.00 H new ATOM 0 HB THR A 41 -8.005 10.413 -3.576 1.00 0.00 H new ATOM 0 HG1 THR A 41 -7.985 8.318 -2.899 1.00 0.00 H new ATOM 0 HG21 THR A 41 -9.625 9.913 -5.352 1.00 0.00 H new ATOM 0 HG22 THR A 41 -8.319 10.968 -5.942 1.00 0.00 H new ATOM 0 HG23 THR A 41 -8.319 9.237 -6.354 1.00 0.00 H new ATOM 653 N THR A 42 -5.488 11.956 -4.014 1.00 0.00 N ATOM 654 CA THR A 42 -5.086 13.325 -4.197 1.00 0.00 C ATOM 655 C THR A 42 -3.683 13.411 -4.817 1.00 0.00 C ATOM 656 O THR A 42 -3.356 14.368 -5.535 1.00 0.00 O ATOM 657 CB THR A 42 -5.122 14.052 -2.846 1.00 0.00 C ATOM 658 OG1 THR A 42 -4.398 13.267 -1.878 1.00 0.00 O ATOM 659 CG2 THR A 42 -6.560 14.233 -2.374 1.00 0.00 C ATOM 0 H THR A 42 -5.461 11.645 -3.043 1.00 0.00 H new ATOM 0 HA THR A 42 -5.781 13.806 -4.885 1.00 0.00 H new ATOM 0 HB THR A 42 -4.665 15.036 -2.956 1.00 0.00 H new ATOM 0 HG1 THR A 42 -4.413 13.723 -1.010 1.00 0.00 H new ATOM 0 HG21 THR A 42 -6.566 14.750 -1.415 1.00 0.00 H new ATOM 0 HG22 THR A 42 -7.112 14.821 -3.107 1.00 0.00 H new ATOM 0 HG23 THR A 42 -7.032 13.257 -2.263 1.00 0.00 H new ATOM 667 N GLY A 43 -2.884 12.387 -4.568 1.00 0.00 N ATOM 668 CA GLY A 43 -1.545 12.322 -5.091 1.00 0.00 C ATOM 669 C GLY A 43 -1.473 11.356 -6.246 1.00 0.00 C ATOM 670 O GLY A 43 -0.522 10.571 -6.375 1.00 0.00 O ATOM 0 H GLY A 43 -3.151 11.584 -3.999 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.228 13.312 -5.418 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.857 12.010 -4.305 1.00 0.00 H new ATOM 674 N LYS A 44 -2.480 11.410 -7.103 1.00 0.00 N ATOM 675 CA LYS A 44 -2.567 10.525 -8.251 1.00 0.00 C ATOM 676 C LYS A 44 -1.365 10.715 -9.169 1.00 0.00 C ATOM 677 O LYS A 44 -0.876 9.757 -9.762 1.00 0.00 O ATOM 678 CB LYS A 44 -3.848 10.771 -9.026 1.00 0.00 C ATOM 679 CG LYS A 44 -4.065 9.798 -10.169 1.00 0.00 C ATOM 680 CD LYS A 44 -5.250 10.201 -10.993 1.00 0.00 C ATOM 681 CE LYS A 44 -5.558 9.177 -12.075 1.00 0.00 C ATOM 682 NZ LYS A 44 -6.673 9.611 -12.943 1.00 0.00 N ATOM 0 H LYS A 44 -3.257 12.066 -7.022 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.572 9.499 -7.882 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.694 10.708 -8.342 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -3.833 11.786 -9.423 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.175 9.763 -10.797 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.216 8.793 -9.774 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -6.119 10.320 -10.346 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.060 11.171 -11.453 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -4.668 9.012 -12.682 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -5.809 8.223 -11.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.852 8.886 -13.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -7.529 9.744 -12.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -6.424 10.508 -13.406 1.00 0.00 H new ATOM 696 N SER A 45 -0.873 11.951 -9.239 1.00 0.00 N ATOM 697 CA SER A 45 0.302 12.296 -10.049 1.00 0.00 C ATOM 698 C SER A 45 1.581 11.593 -9.546 1.00 0.00 C ATOM 699 O SER A 45 2.648 11.718 -10.139 1.00 0.00 O ATOM 700 CB SER A 45 0.491 13.805 -10.069 1.00 0.00 C ATOM 701 OG SER A 45 -0.676 14.445 -10.576 1.00 0.00 O ATOM 0 H SER A 45 -1.275 12.743 -8.738 1.00 0.00 H new ATOM 0 HA SER A 45 0.123 11.942 -11.064 1.00 0.00 H new ATOM 0 HB2 SER A 45 0.702 14.165 -9.062 1.00 0.00 H new ATOM 0 HB3 SER A 45 1.352 14.062 -10.686 1.00 0.00 H new ATOM 0 HG SER A 45 -0.541 15.416 -10.581 1.00 0.00 H new ATOM 707 N PHE A 46 1.467 10.881 -8.449 1.00 0.00 N ATOM 708 CA PHE A 46 2.544 10.086 -7.941 1.00 0.00 C ATOM 709 C PHE A 46 2.189 8.617 -8.069 1.00 0.00 C ATOM 710 O PHE A 46 2.976 7.815 -8.571 1.00 0.00 O ATOM 711 CB PHE A 46 2.813 10.394 -6.467 1.00 0.00 C ATOM 712 CG PHE A 46 3.199 11.802 -6.183 1.00 0.00 C ATOM 713 CD1 PHE A 46 4.505 12.214 -6.347 1.00 0.00 C ATOM 714 CD2 PHE A 46 2.258 12.716 -5.746 1.00 0.00 C ATOM 715 CE1 PHE A 46 4.869 13.509 -6.084 1.00 0.00 C ATOM 716 CE2 PHE A 46 2.617 14.016 -5.479 1.00 0.00 C ATOM 717 CZ PHE A 46 3.925 14.413 -5.648 1.00 0.00 C ATOM 0 H PHE A 46 0.617 10.841 -7.886 1.00 0.00 H new ATOM 0 HA PHE A 46 3.438 10.320 -8.519 1.00 0.00 H new ATOM 0 HB2 PHE A 46 1.919 10.154 -5.892 1.00 0.00 H new ATOM 0 HB3 PHE A 46 3.606 9.736 -6.112 1.00 0.00 H new ATOM 0 HD1 PHE A 46 5.249 11.509 -6.686 1.00 0.00 H new ATOM 0 HD2 PHE A 46 1.232 12.406 -5.613 1.00 0.00 H new ATOM 0 HE1 PHE A 46 5.894 13.820 -6.218 1.00 0.00 H new ATOM 0 HE2 PHE A 46 1.876 14.724 -5.138 1.00 0.00 H new ATOM 0 HZ PHE A 46 4.211 15.433 -5.439 1.00 0.00 H new ATOM 727 N TYR A 47 0.984 8.273 -7.644 1.00 0.00 N ATOM 728 CA TYR A 47 0.583 6.890 -7.551 1.00 0.00 C ATOM 729 C TYR A 47 -0.186 6.362 -8.769 1.00 0.00 C ATOM 730 O TYR A 47 0.332 5.531 -9.508 1.00 0.00 O ATOM 731 CB TYR A 47 -0.188 6.675 -6.241 1.00 0.00 C ATOM 732 CG TYR A 47 0.642 7.065 -5.029 1.00 0.00 C ATOM 733 CD1 TYR A 47 1.473 6.153 -4.406 1.00 0.00 C ATOM 734 CD2 TYR A 47 0.623 8.367 -4.541 1.00 0.00 C ATOM 735 CE1 TYR A 47 2.261 6.525 -3.336 1.00 0.00 C ATOM 736 CE2 TYR A 47 1.399 8.742 -3.469 1.00 0.00 C ATOM 737 CZ TYR A 47 2.217 7.820 -2.873 1.00 0.00 C ATOM 738 OH TYR A 47 3.019 8.196 -1.820 1.00 0.00 O ATOM 0 H TYR A 47 0.268 8.941 -7.358 1.00 0.00 H new ATOM 0 HA TYR A 47 1.495 6.294 -7.545 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -1.105 7.263 -6.258 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -0.482 5.629 -6.159 1.00 0.00 H new ATOM 0 HD1 TYR A 47 1.506 5.134 -4.762 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -0.015 9.099 -5.014 1.00 0.00 H new ATOM 0 HE1 TYR A 47 2.910 5.802 -2.864 1.00 0.00 H new ATOM 0 HE2 TYR A 47 1.363 9.756 -3.100 1.00 0.00 H new ATOM 0 HH TYR A 47 3.090 7.456 -1.182 1.00 0.00 H new ATOM 748 N GLY A 48 -1.378 6.886 -9.019 1.00 0.00 N ATOM 749 CA GLY A 48 -2.249 6.292 -10.038 1.00 0.00 C ATOM 750 C GLY A 48 -1.946 6.736 -11.445 1.00 0.00 C ATOM 751 O GLY A 48 -2.534 6.235 -12.398 1.00 0.00 O ATOM 0 H GLY A 48 -1.763 7.703 -8.545 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -2.163 5.207 -9.985 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -3.284 6.542 -9.805 1.00 0.00 H new ATOM 755 N SER A 49 -1.044 7.664 -11.582 1.00 0.00 N ATOM 756 CA SER A 49 -0.675 8.194 -12.866 1.00 0.00 C ATOM 757 C SER A 49 0.686 8.841 -12.730 1.00 0.00 C ATOM 758 O SER A 49 1.101 9.666 -13.546 1.00 0.00 O ATOM 759 CB SER A 49 -1.736 9.209 -13.316 1.00 0.00 C ATOM 760 OG SER A 49 -1.518 9.675 -14.640 1.00 0.00 O ATOM 0 H SER A 49 -0.538 8.079 -10.800 1.00 0.00 H new ATOM 0 HA SER A 49 -0.622 7.408 -13.620 1.00 0.00 H new ATOM 0 HB2 SER A 49 -2.723 8.750 -13.254 1.00 0.00 H new ATOM 0 HB3 SER A 49 -1.736 10.057 -12.631 1.00 0.00 H new ATOM 0 HG SER A 49 -0.561 9.833 -14.778 1.00 0.00 H new ATOM 766 N GLY A 50 1.400 8.425 -11.709 1.00 0.00 N ATOM 767 CA GLY A 50 2.691 8.981 -11.459 1.00 0.00 C ATOM 768 C GLY A 50 3.736 8.131 -12.051 1.00 0.00 C ATOM 769 O GLY A 50 4.878 8.543 -12.208 1.00 0.00 O ATOM 0 H GLY A 50 1.103 7.708 -11.047 1.00 0.00 H new ATOM 0 HA2 GLY A 50 2.749 9.986 -11.878 1.00 0.00 H new ATOM 0 HA3 GLY A 50 2.853 9.074 -10.385 1.00 0.00 H new ATOM 773 N GLY A 51 3.342 6.920 -12.363 1.00 0.00 N ATOM 774 CA GLY A 51 4.213 5.959 -12.992 1.00 0.00 C ATOM 775 C GLY A 51 5.223 5.326 -12.069 1.00 0.00 C ATOM 776 O GLY A 51 5.379 4.104 -12.047 1.00 0.00 O ATOM 0 H GLY A 51 2.400 6.572 -12.186 1.00 0.00 H new ATOM 0 HA2 GLY A 51 3.603 5.172 -13.436 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.744 6.449 -13.808 1.00 0.00 H new ATOM 780 N ASP A 52 5.887 6.128 -11.320 1.00 0.00 N ATOM 781 CA ASP A 52 6.918 5.676 -10.416 1.00 0.00 C ATOM 782 C ASP A 52 6.328 4.895 -9.251 1.00 0.00 C ATOM 783 O ASP A 52 6.847 3.858 -8.861 1.00 0.00 O ATOM 784 CB ASP A 52 7.676 6.870 -9.933 1.00 0.00 C ATOM 785 CG ASP A 52 8.827 6.525 -9.014 1.00 0.00 C ATOM 786 OD1 ASP A 52 9.865 6.030 -9.514 1.00 0.00 O ATOM 787 OD2 ASP A 52 8.743 6.782 -7.797 1.00 0.00 O ATOM 0 H ASP A 52 5.738 7.137 -11.306 1.00 0.00 H new ATOM 0 HA ASP A 52 7.592 4.998 -10.940 1.00 0.00 H new ATOM 0 HB2 ASP A 52 8.060 7.418 -10.793 1.00 0.00 H new ATOM 0 HB3 ASP A 52 6.991 7.537 -9.410 1.00 0.00 H new ATOM 792 N TYR A 53 5.221 5.375 -8.726 1.00 0.00 N ATOM 793 CA TYR A 53 4.544 4.697 -7.634 1.00 0.00 C ATOM 794 C TYR A 53 3.336 3.920 -8.159 1.00 0.00 C ATOM 795 O TYR A 53 2.426 3.591 -7.410 1.00 0.00 O ATOM 796 CB TYR A 53 4.076 5.689 -6.574 1.00 0.00 C ATOM 797 CG TYR A 53 5.160 6.463 -5.866 1.00 0.00 C ATOM 798 CD1 TYR A 53 5.855 5.907 -4.801 1.00 0.00 C ATOM 799 CD2 TYR A 53 5.467 7.760 -6.242 1.00 0.00 C ATOM 800 CE1 TYR A 53 6.831 6.622 -4.136 1.00 0.00 C ATOM 801 CE2 TYR A 53 6.434 8.483 -5.581 1.00 0.00 C ATOM 802 CZ TYR A 53 7.114 7.912 -4.530 1.00 0.00 C ATOM 803 OH TYR A 53 8.075 8.638 -3.863 1.00 0.00 O ATOM 0 H TYR A 53 4.767 6.234 -9.037 1.00 0.00 H new ATOM 0 HA TYR A 53 5.257 4.008 -7.182 1.00 0.00 H new ATOM 0 HB2 TYR A 53 3.398 6.401 -7.045 1.00 0.00 H new ATOM 0 HB3 TYR A 53 3.498 5.145 -5.826 1.00 0.00 H new ATOM 0 HD1 TYR A 53 5.629 4.899 -4.487 1.00 0.00 H new ATOM 0 HD2 TYR A 53 4.938 8.212 -7.068 1.00 0.00 H new ATOM 0 HE1 TYR A 53 7.369 6.174 -3.313 1.00 0.00 H new ATOM 0 HE2 TYR A 53 6.658 9.494 -5.886 1.00 0.00 H new ATOM 0 HH TYR A 53 8.152 9.527 -4.267 1.00 0.00 H new ATOM 813 N SER A 54 3.373 3.575 -9.431 1.00 0.00 N ATOM 814 CA SER A 54 2.271 2.876 -10.103 1.00 0.00 C ATOM 815 C SER A 54 2.021 1.506 -9.482 1.00 0.00 C ATOM 816 O SER A 54 0.900 0.994 -9.457 1.00 0.00 O ATOM 817 CB SER A 54 2.648 2.693 -11.559 1.00 0.00 C ATOM 818 OG SER A 54 3.820 1.910 -11.681 1.00 0.00 O ATOM 0 H SER A 54 4.168 3.768 -10.040 1.00 0.00 H new ATOM 0 HA SER A 54 1.361 3.467 -9.999 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.828 2.214 -12.094 1.00 0.00 H new ATOM 0 HB3 SER A 54 2.806 3.666 -12.023 1.00 0.00 H new ATOM 0 HG SER A 54 4.588 2.495 -11.848 1.00 0.00 H new ATOM 824 N MET A 55 3.070 0.948 -8.969 1.00 0.00 N ATOM 825 CA MET A 55 3.089 -0.397 -8.439 1.00 0.00 C ATOM 826 C MET A 55 2.650 -0.396 -7.006 1.00 0.00 C ATOM 827 O MET A 55 2.467 -1.424 -6.397 1.00 0.00 O ATOM 828 CB MET A 55 4.486 -0.948 -8.614 1.00 0.00 C ATOM 829 CG MET A 55 4.941 -0.749 -10.042 1.00 0.00 C ATOM 830 SD MET A 55 3.909 -1.622 -11.238 1.00 0.00 S ATOM 831 CE MET A 55 4.665 -1.101 -12.773 1.00 0.00 C ATOM 0 H MET A 55 3.970 1.422 -8.900 1.00 0.00 H new ATOM 0 HA MET A 55 2.390 -1.038 -8.975 1.00 0.00 H new ATOM 0 HB2 MET A 55 5.172 -0.447 -7.931 1.00 0.00 H new ATOM 0 HB3 MET A 55 4.503 -2.008 -8.362 1.00 0.00 H new ATOM 0 HG2 MET A 55 4.936 0.316 -10.274 1.00 0.00 H new ATOM 0 HG3 MET A 55 5.971 -1.091 -10.141 1.00 0.00 H new ATOM 0 HE1 MET A 55 3.916 -1.096 -13.564 1.00 0.00 H new ATOM 0 HE2 MET A 55 5.074 -0.098 -12.655 1.00 0.00 H new ATOM 0 HE3 MET A 55 5.466 -1.791 -13.037 1.00 0.00 H new ATOM 841 N PHE A 56 2.509 0.787 -6.488 1.00 0.00 N ATOM 842 CA PHE A 56 2.060 1.014 -5.144 1.00 0.00 C ATOM 843 C PHE A 56 0.587 1.368 -5.189 1.00 0.00 C ATOM 844 O PHE A 56 -0.160 1.035 -4.287 1.00 0.00 O ATOM 845 CB PHE A 56 2.825 2.204 -4.539 1.00 0.00 C ATOM 846 CG PHE A 56 4.321 2.043 -4.458 1.00 0.00 C ATOM 847 CD1 PHE A 56 5.104 1.977 -5.602 1.00 0.00 C ATOM 848 CD2 PHE A 56 4.939 1.961 -3.241 1.00 0.00 C ATOM 849 CE1 PHE A 56 6.466 1.833 -5.520 1.00 0.00 C ATOM 850 CE2 PHE A 56 6.299 1.819 -3.151 1.00 0.00 C ATOM 851 CZ PHE A 56 7.068 1.756 -4.290 1.00 0.00 C ATOM 0 H PHE A 56 2.708 1.646 -7.001 1.00 0.00 H new ATOM 0 HA PHE A 56 2.230 0.122 -4.542 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.605 3.093 -5.130 1.00 0.00 H new ATOM 0 HB3 PHE A 56 2.442 2.386 -3.535 1.00 0.00 H new ATOM 0 HD1 PHE A 56 4.634 2.040 -6.572 1.00 0.00 H new ATOM 0 HD2 PHE A 56 4.347 2.009 -2.339 1.00 0.00 H new ATOM 0 HE1 PHE A 56 7.061 1.781 -6.420 1.00 0.00 H new ATOM 0 HE2 PHE A 56 6.770 1.756 -2.181 1.00 0.00 H new ATOM 0 HZ PHE A 56 8.140 1.647 -4.216 1.00 0.00 H new ATOM 861 N ALA A 57 0.195 2.014 -6.310 1.00 0.00 N ATOM 862 CA ALA A 57 -1.148 2.591 -6.553 1.00 0.00 C ATOM 863 C ALA A 57 -2.322 1.688 -6.173 1.00 0.00 C ATOM 864 O ALA A 57 -3.406 2.179 -5.911 1.00 0.00 O ATOM 865 CB ALA A 57 -1.268 3.019 -8.001 1.00 0.00 C ATOM 0 H ALA A 57 0.827 2.153 -7.099 1.00 0.00 H new ATOM 0 HA ALA A 57 -1.221 3.449 -5.885 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.257 3.443 -8.174 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -0.508 3.769 -8.223 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -1.125 2.154 -8.649 1.00 0.00 H new ATOM 871 N GLY A 58 -2.123 0.404 -6.194 1.00 0.00 N ATOM 872 CA GLY A 58 -3.153 -0.492 -5.757 1.00 0.00 C ATOM 873 C GLY A 58 -2.556 -1.767 -5.323 1.00 0.00 C ATOM 874 O GLY A 58 -3.012 -2.842 -5.694 1.00 0.00 O ATOM 0 H GLY A 58 -1.262 -0.045 -6.507 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -3.713 -0.044 -4.936 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -3.861 -0.669 -6.567 1.00 0.00 H new ATOM 878 N LYS A 59 -1.516 -1.670 -4.576 1.00 0.00 N ATOM 879 CA LYS A 59 -0.840 -2.824 -4.122 1.00 0.00 C ATOM 880 C LYS A 59 -0.267 -2.551 -2.757 1.00 0.00 C ATOM 881 O LYS A 59 0.054 -1.402 -2.434 1.00 0.00 O ATOM 882 CB LYS A 59 0.269 -3.140 -5.123 1.00 0.00 C ATOM 883 CG LYS A 59 1.045 -4.432 -4.908 1.00 0.00 C ATOM 884 CD LYS A 59 0.181 -5.679 -5.012 1.00 0.00 C ATOM 885 CE LYS A 59 -0.672 -5.672 -6.285 1.00 0.00 C ATOM 886 NZ LYS A 59 -1.365 -6.957 -6.517 1.00 0.00 N ATOM 0 H LYS A 59 -1.112 -0.787 -4.264 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.516 -3.676 -4.046 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -0.172 -3.171 -6.119 1.00 0.00 H new ATOM 0 HB3 LYS A 59 0.979 -2.313 -5.115 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.847 -4.492 -5.644 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.515 -4.406 -3.925 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.817 -6.564 -5.005 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -0.468 -5.746 -4.139 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.410 -4.873 -6.218 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -0.036 -5.447 -7.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -1.012 -7.388 -7.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -1.184 -7.598 -5.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -2.388 -6.790 -6.601 1.00 0.00 H new ATOM 900 N ASP A 60 -0.176 -3.570 -1.940 1.00 0.00 N ATOM 901 CA ASP A 60 0.528 -3.419 -0.699 1.00 0.00 C ATOM 902 C ASP A 60 1.981 -3.498 -1.052 1.00 0.00 C ATOM 903 O ASP A 60 2.434 -4.477 -1.654 1.00 0.00 O ATOM 904 CB ASP A 60 0.155 -4.490 0.320 1.00 0.00 C ATOM 905 CG ASP A 60 0.835 -4.280 1.688 1.00 0.00 C ATOM 906 OD1 ASP A 60 2.073 -4.407 1.786 1.00 0.00 O ATOM 907 OD2 ASP A 60 0.128 -3.981 2.674 1.00 0.00 O ATOM 0 H ASP A 60 -0.573 -4.494 -2.109 1.00 0.00 H new ATOM 0 HA ASP A 60 0.270 -2.473 -0.224 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -0.927 -4.495 0.455 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.432 -5.469 -0.071 1.00 0.00 H new ATOM 912 N ALA A 61 2.689 -2.482 -0.739 1.00 0.00 N ATOM 913 CA ALA A 61 4.037 -2.365 -1.170 1.00 0.00 C ATOM 914 C ALA A 61 5.009 -2.468 -0.028 1.00 0.00 C ATOM 915 O ALA A 61 6.123 -1.990 -0.143 1.00 0.00 O ATOM 916 CB ALA A 61 4.201 -1.042 -1.881 1.00 0.00 C ATOM 0 H ALA A 61 2.354 -1.702 -0.174 1.00 0.00 H new ATOM 0 HA ALA A 61 4.258 -3.191 -1.846 1.00 0.00 H new ATOM 0 HB1 ALA A 61 5.232 -0.936 -2.219 1.00 0.00 H new ATOM 0 HB2 ALA A 61 3.532 -1.005 -2.741 1.00 0.00 H new ATOM 0 HB3 ALA A 61 3.958 -0.229 -1.197 1.00 0.00 H new ATOM 922 N SER A 62 4.624 -3.137 1.048 1.00 0.00 N ATOM 923 CA SER A 62 5.498 -3.257 2.209 1.00 0.00 C ATOM 924 C SER A 62 6.878 -3.844 1.843 1.00 0.00 C ATOM 925 O SER A 62 7.913 -3.249 2.151 1.00 0.00 O ATOM 926 CB SER A 62 4.813 -4.037 3.320 1.00 0.00 C ATOM 927 OG SER A 62 4.288 -5.246 2.837 1.00 0.00 O ATOM 0 H SER A 62 3.721 -3.602 1.143 1.00 0.00 H new ATOM 0 HA SER A 62 5.691 -2.252 2.584 1.00 0.00 H new ATOM 0 HB2 SER A 62 5.526 -4.240 4.119 1.00 0.00 H new ATOM 0 HB3 SER A 62 4.013 -3.436 3.751 1.00 0.00 H new ATOM 0 HG SER A 62 3.426 -5.078 2.403 1.00 0.00 H new ATOM 933 N ARG A 63 6.888 -4.969 1.160 1.00 0.00 N ATOM 934 CA ARG A 63 8.143 -5.547 0.688 1.00 0.00 C ATOM 935 C ARG A 63 8.859 -4.613 -0.286 1.00 0.00 C ATOM 936 O ARG A 63 10.072 -4.413 -0.189 1.00 0.00 O ATOM 937 CB ARG A 63 7.923 -6.914 0.031 1.00 0.00 C ATOM 938 CG ARG A 63 9.156 -7.445 -0.680 1.00 0.00 C ATOM 939 CD ARG A 63 8.933 -8.804 -1.286 1.00 0.00 C ATOM 940 NE ARG A 63 10.004 -9.138 -2.224 1.00 0.00 N ATOM 941 CZ ARG A 63 10.273 -10.348 -2.715 1.00 0.00 C ATOM 942 NH1 ARG A 63 9.604 -11.416 -2.292 1.00 0.00 N ATOM 943 NH2 ARG A 63 11.200 -10.473 -3.648 1.00 0.00 N ATOM 0 H ARG A 63 6.053 -5.503 0.917 1.00 0.00 H new ATOM 0 HA ARG A 63 8.774 -5.683 1.566 1.00 0.00 H new ATOM 0 HB2 ARG A 63 7.615 -7.630 0.793 1.00 0.00 H new ATOM 0 HB3 ARG A 63 7.104 -6.838 -0.684 1.00 0.00 H new ATOM 0 HG2 ARG A 63 9.449 -6.746 -1.463 1.00 0.00 H new ATOM 0 HG3 ARG A 63 9.984 -7.498 0.027 1.00 0.00 H new ATOM 0 HD2 ARG A 63 8.887 -9.555 -0.498 1.00 0.00 H new ATOM 0 HD3 ARG A 63 7.973 -8.824 -1.802 1.00 0.00 H new ATOM 0 HE ARG A 63 10.603 -8.372 -2.532 1.00 0.00 H new ATOM 0 HH11 ARG A 63 8.876 -11.315 -1.585 1.00 0.00 H new ATOM 0 HH12 ARG A 63 9.818 -12.337 -2.675 1.00 0.00 H new ATOM 0 HH21 ARG A 63 11.700 -9.650 -3.984 1.00 0.00 H new ATOM 0 HH22 ARG A 63 11.416 -11.393 -4.032 1.00 0.00 H new ATOM 957 N ALA A 64 8.086 -3.965 -1.139 1.00 0.00 N ATOM 958 CA ALA A 64 8.627 -3.190 -2.242 1.00 0.00 C ATOM 959 C ALA A 64 9.328 -1.984 -1.710 1.00 0.00 C ATOM 960 O ALA A 64 10.302 -1.535 -2.257 1.00 0.00 O ATOM 961 CB ALA A 64 7.525 -2.786 -3.199 1.00 0.00 C ATOM 0 H ALA A 64 7.067 -3.961 -1.087 1.00 0.00 H new ATOM 0 HA ALA A 64 9.342 -3.803 -2.790 1.00 0.00 H new ATOM 0 HB1 ALA A 64 7.949 -2.206 -4.019 1.00 0.00 H new ATOM 0 HB2 ALA A 64 7.044 -3.679 -3.597 1.00 0.00 H new ATOM 0 HB3 ALA A 64 6.788 -2.181 -2.671 1.00 0.00 H new ATOM 967 N LEU A 65 8.807 -1.484 -0.631 1.00 0.00 N ATOM 968 CA LEU A 65 9.342 -0.363 0.071 1.00 0.00 C ATOM 969 C LEU A 65 10.726 -0.624 0.645 1.00 0.00 C ATOM 970 O LEU A 65 11.594 0.242 0.588 1.00 0.00 O ATOM 971 CB LEU A 65 8.362 0.059 1.138 1.00 0.00 C ATOM 972 CG LEU A 65 7.106 0.784 0.656 1.00 0.00 C ATOM 973 CD1 LEU A 65 6.179 1.051 1.801 1.00 0.00 C ATOM 974 CD2 LEU A 65 7.485 2.083 0.036 1.00 0.00 C ATOM 0 H LEU A 65 7.964 -1.863 -0.200 1.00 0.00 H new ATOM 0 HA LEU A 65 9.479 0.451 -0.641 1.00 0.00 H new ATOM 0 HB2 LEU A 65 8.054 -0.829 1.690 1.00 0.00 H new ATOM 0 HB3 LEU A 65 8.882 0.708 1.843 1.00 0.00 H new ATOM 0 HG LEU A 65 6.603 0.150 -0.074 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.291 1.568 1.437 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.887 0.107 2.260 1.00 0.00 H new ATOM 0 HD13 LEU A 65 6.684 1.673 2.540 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.588 2.598 -0.307 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.999 2.701 0.772 1.00 0.00 H new ATOM 0 HD23 LEU A 65 8.146 1.902 -0.812 1.00 0.00 H new ATOM 986 N GLY A 66 10.946 -1.806 1.170 1.00 0.00 N ATOM 987 CA GLY A 66 12.244 -2.096 1.737 1.00 0.00 C ATOM 988 C GLY A 66 13.226 -2.544 0.686 1.00 0.00 C ATOM 989 O GLY A 66 14.436 -2.391 0.841 1.00 0.00 O ATOM 0 H GLY A 66 10.265 -2.564 1.217 1.00 0.00 H new ATOM 0 HA2 GLY A 66 12.628 -1.208 2.238 1.00 0.00 H new ATOM 0 HA3 GLY A 66 12.144 -2.872 2.496 1.00 0.00 H new ATOM 993 N LYS A 67 12.707 -3.109 -0.378 1.00 0.00 N ATOM 994 CA LYS A 67 13.526 -3.556 -1.493 1.00 0.00 C ATOM 995 C LYS A 67 13.862 -2.362 -2.382 1.00 0.00 C ATOM 996 O LYS A 67 14.931 -2.308 -2.994 1.00 0.00 O ATOM 997 CB LYS A 67 12.753 -4.601 -2.317 1.00 0.00 C ATOM 998 CG LYS A 67 12.289 -5.870 -1.568 1.00 0.00 C ATOM 999 CD LYS A 67 13.342 -6.969 -1.383 1.00 0.00 C ATOM 1000 CE LYS A 67 14.560 -6.532 -0.623 1.00 0.00 C ATOM 1001 NZ LYS A 67 15.442 -7.676 -0.313 1.00 0.00 N ATOM 0 H LYS A 67 11.708 -3.274 -0.501 1.00 0.00 H new ATOM 0 HA LYS A 67 14.444 -4.002 -1.112 1.00 0.00 H new ATOM 0 HB2 LYS A 67 11.874 -4.117 -2.742 1.00 0.00 H new ATOM 0 HB3 LYS A 67 13.382 -4.910 -3.152 1.00 0.00 H new ATOM 0 HG2 LYS A 67 11.926 -5.574 -0.584 1.00 0.00 H new ATOM 0 HG3 LYS A 67 11.441 -6.295 -2.106 1.00 0.00 H new ATOM 0 HD2 LYS A 67 12.885 -7.810 -0.862 1.00 0.00 H new ATOM 0 HD3 LYS A 67 13.650 -7.330 -2.364 1.00 0.00 H new ATOM 0 HE2 LYS A 67 15.110 -5.795 -1.208 1.00 0.00 H new ATOM 0 HE3 LYS A 67 14.257 -6.043 0.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 16.328 -7.328 0.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 14.966 -8.309 0.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 15.654 -8.198 -1.187 1.00 0.00 H new ATOM 1015 N MET A 68 12.910 -1.428 -2.448 1.00 0.00 N ATOM 1016 CA MET A 68 12.962 -0.202 -3.258 1.00 0.00 C ATOM 1017 C MET A 68 12.831 -0.598 -4.698 1.00 0.00 C ATOM 1018 O MET A 68 13.351 0.036 -5.612 1.00 0.00 O ATOM 1019 CB MET A 68 14.229 0.628 -3.002 1.00 0.00 C ATOM 1020 CG MET A 68 14.398 1.068 -1.566 1.00 0.00 C ATOM 1021 SD MET A 68 15.781 2.211 -1.350 1.00 0.00 S ATOM 1022 CE MET A 68 15.241 3.604 -2.350 1.00 0.00 C ATOM 0 H MET A 68 12.043 -1.506 -1.916 1.00 0.00 H new ATOM 0 HA MET A 68 12.138 0.452 -2.973 1.00 0.00 H new ATOM 0 HB2 MET A 68 15.100 0.042 -3.296 1.00 0.00 H new ATOM 0 HB3 MET A 68 14.208 1.511 -3.641 1.00 0.00 H new ATOM 0 HG2 MET A 68 13.479 1.546 -1.225 1.00 0.00 H new ATOM 0 HG3 MET A 68 14.554 0.192 -0.937 1.00 0.00 H new ATOM 0 HE1 MET A 68 15.744 4.510 -2.013 1.00 0.00 H new ATOM 0 HE2 MET A 68 15.489 3.419 -3.395 1.00 0.00 H new ATOM 0 HE3 MET A 68 14.163 3.728 -2.249 1.00 0.00 H new ATOM 1032 N SER A 69 12.066 -1.631 -4.879 1.00 0.00 N ATOM 1033 CA SER A 69 11.860 -2.255 -6.132 1.00 0.00 C ATOM 1034 C SER A 69 10.414 -2.079 -6.576 1.00 0.00 C ATOM 1035 O SER A 69 9.490 -2.248 -5.792 1.00 0.00 O ATOM 1036 CB SER A 69 12.220 -3.715 -5.968 1.00 0.00 C ATOM 1037 OG SER A 69 13.573 -3.835 -5.530 1.00 0.00 O ATOM 0 H SER A 69 11.550 -2.074 -4.119 1.00 0.00 H new ATOM 0 HA SER A 69 12.483 -1.805 -6.905 1.00 0.00 H new ATOM 0 HB2 SER A 69 11.552 -4.184 -5.246 1.00 0.00 H new ATOM 0 HB3 SER A 69 12.087 -4.240 -6.914 1.00 0.00 H new ATOM 0 HG SER A 69 13.800 -4.783 -5.424 1.00 0.00 H new ATOM 1043 N LYS A 70 10.243 -1.717 -7.825 1.00 0.00 N ATOM 1044 CA LYS A 70 8.931 -1.467 -8.395 1.00 0.00 C ATOM 1045 C LYS A 70 8.521 -2.576 -9.313 1.00 0.00 C ATOM 1046 O LYS A 70 7.402 -2.604 -9.808 1.00 0.00 O ATOM 1047 CB LYS A 70 8.957 -0.149 -9.108 1.00 0.00 C ATOM 1048 CG LYS A 70 9.168 0.987 -8.155 1.00 0.00 C ATOM 1049 CD LYS A 70 10.176 1.960 -8.682 1.00 0.00 C ATOM 1050 CE LYS A 70 10.353 3.131 -7.738 1.00 0.00 C ATOM 1051 NZ LYS A 70 11.303 4.131 -8.259 1.00 0.00 N ATOM 0 H LYS A 70 11.012 -1.585 -8.482 1.00 0.00 H new ATOM 0 HA LYS A 70 8.190 -1.428 -7.597 1.00 0.00 H new ATOM 0 HB2 LYS A 70 9.753 -0.153 -9.853 1.00 0.00 H new ATOM 0 HB3 LYS A 70 8.019 -0.006 -9.644 1.00 0.00 H new ATOM 0 HG2 LYS A 70 8.222 1.499 -7.981 1.00 0.00 H new ATOM 0 HG3 LYS A 70 9.502 0.600 -7.193 1.00 0.00 H new ATOM 0 HD2 LYS A 70 11.132 1.456 -8.824 1.00 0.00 H new ATOM 0 HD3 LYS A 70 9.859 2.323 -9.660 1.00 0.00 H new ATOM 0 HE2 LYS A 70 9.387 3.606 -7.566 1.00 0.00 H new ATOM 0 HE3 LYS A 70 10.705 2.767 -6.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 11.942 4.434 -7.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 11.860 3.712 -9.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 10.778 4.954 -8.618 1.00 0.00 H new ATOM 1065 N ASN A 71 9.447 -3.461 -9.580 1.00 0.00 N ATOM 1066 CA ASN A 71 9.149 -4.668 -10.307 1.00 0.00 C ATOM 1067 C ASN A 71 8.090 -5.455 -9.545 1.00 0.00 C ATOM 1068 O ASN A 71 8.311 -5.880 -8.416 1.00 0.00 O ATOM 1069 CB ASN A 71 10.441 -5.487 -10.624 1.00 0.00 C ATOM 1070 CG ASN A 71 11.318 -5.804 -9.418 1.00 0.00 C ATOM 1071 OD1 ASN A 71 12.181 -5.006 -9.026 1.00 0.00 O ATOM 1072 ND2 ASN A 71 11.163 -6.971 -8.863 1.00 0.00 N ATOM 0 H ASN A 71 10.424 -3.366 -9.301 1.00 0.00 H new ATOM 0 HA ASN A 71 8.736 -4.421 -11.285 1.00 0.00 H new ATOM 0 HB2 ASN A 71 10.151 -6.424 -11.099 1.00 0.00 H new ATOM 0 HB3 ASN A 71 11.035 -4.932 -11.350 1.00 0.00 H new ATOM 0 HD21 ASN A 71 11.760 -7.249 -8.084 1.00 0.00 H new ATOM 0 HD22 ASN A 71 10.444 -7.608 -9.207 1.00 0.00 H new ATOM 1079 N GLU A 72 6.933 -5.634 -10.191 1.00 0.00 N ATOM 1080 CA GLU A 72 5.708 -6.191 -9.587 1.00 0.00 C ATOM 1081 C GLU A 72 5.956 -7.557 -9.000 1.00 0.00 C ATOM 1082 O GLU A 72 5.277 -7.978 -8.069 1.00 0.00 O ATOM 1083 CB GLU A 72 4.568 -6.324 -10.624 1.00 0.00 C ATOM 1084 CG GLU A 72 4.340 -5.120 -11.538 1.00 0.00 C ATOM 1085 CD GLU A 72 5.254 -5.111 -12.765 1.00 0.00 C ATOM 1086 OE1 GLU A 72 6.462 -4.849 -12.641 1.00 0.00 O ATOM 1087 OE2 GLU A 72 4.764 -5.400 -13.878 1.00 0.00 O ATOM 0 H GLU A 72 6.815 -5.391 -11.174 1.00 0.00 H new ATOM 0 HA GLU A 72 5.415 -5.493 -8.803 1.00 0.00 H new ATOM 0 HB2 GLU A 72 4.773 -7.194 -11.248 1.00 0.00 H new ATOM 0 HB3 GLU A 72 3.641 -6.528 -10.089 1.00 0.00 H new ATOM 0 HG2 GLU A 72 3.301 -5.114 -11.867 1.00 0.00 H new ATOM 0 HG3 GLU A 72 4.499 -4.205 -10.968 1.00 0.00 H new ATOM 1094 N GLU A 73 6.931 -8.224 -9.553 1.00 0.00 N ATOM 1095 CA GLU A 73 7.358 -9.535 -9.128 1.00 0.00 C ATOM 1096 C GLU A 73 7.794 -9.507 -7.657 1.00 0.00 C ATOM 1097 O GLU A 73 7.589 -10.465 -6.912 1.00 0.00 O ATOM 1098 CB GLU A 73 8.526 -9.934 -10.010 1.00 0.00 C ATOM 1099 CG GLU A 73 9.038 -11.339 -9.801 1.00 0.00 C ATOM 1100 CD GLU A 73 7.989 -12.387 -10.074 1.00 0.00 C ATOM 1101 OE1 GLU A 73 7.798 -12.747 -11.251 1.00 0.00 O ATOM 1102 OE2 GLU A 73 7.349 -12.869 -9.117 1.00 0.00 O ATOM 0 H GLU A 73 7.470 -7.860 -10.339 1.00 0.00 H new ATOM 0 HA GLU A 73 6.541 -10.251 -9.217 1.00 0.00 H new ATOM 0 HB2 GLU A 73 8.227 -9.824 -11.053 1.00 0.00 H new ATOM 0 HB3 GLU A 73 9.346 -9.236 -9.838 1.00 0.00 H new ATOM 0 HG2 GLU A 73 9.895 -11.510 -10.453 1.00 0.00 H new ATOM 0 HG3 GLU A 73 9.392 -11.444 -8.775 1.00 0.00 H new ATOM 1109 N ASP A 74 8.366 -8.394 -7.253 1.00 0.00 N ATOM 1110 CA ASP A 74 8.869 -8.239 -5.908 1.00 0.00 C ATOM 1111 C ASP A 74 7.771 -7.725 -5.008 1.00 0.00 C ATOM 1112 O ASP A 74 7.623 -8.176 -3.884 1.00 0.00 O ATOM 1113 CB ASP A 74 10.029 -7.247 -5.889 1.00 0.00 C ATOM 1114 CG ASP A 74 10.673 -7.127 -4.542 1.00 0.00 C ATOM 1115 OD1 ASP A 74 10.216 -6.329 -3.735 1.00 0.00 O ATOM 1116 OD2 ASP A 74 11.669 -7.863 -4.286 1.00 0.00 O ATOM 0 H ASP A 74 8.495 -7.574 -7.846 1.00 0.00 H new ATOM 0 HA ASP A 74 9.216 -9.210 -5.553 1.00 0.00 H new ATOM 0 HB2 ASP A 74 10.778 -7.558 -6.617 1.00 0.00 H new ATOM 0 HB3 ASP A 74 9.668 -6.267 -6.202 1.00 0.00 H new ATOM 1121 N VAL A 75 6.945 -6.854 -5.557 1.00 0.00 N ATOM 1122 CA VAL A 75 5.927 -6.141 -4.776 1.00 0.00 C ATOM 1123 C VAL A 75 4.943 -7.166 -4.156 1.00 0.00 C ATOM 1124 O VAL A 75 4.440 -8.059 -4.846 1.00 0.00 O ATOM 1125 CB VAL A 75 5.191 -5.088 -5.660 1.00 0.00 C ATOM 1126 CG1 VAL A 75 4.318 -4.175 -4.834 1.00 0.00 C ATOM 1127 CG2 VAL A 75 6.191 -4.264 -6.446 1.00 0.00 C ATOM 0 H VAL A 75 6.953 -6.615 -6.549 1.00 0.00 H new ATOM 0 HA VAL A 75 6.407 -5.593 -3.965 1.00 0.00 H new ATOM 0 HB VAL A 75 4.550 -5.637 -6.350 1.00 0.00 H new ATOM 0 HG11 VAL A 75 3.823 -3.456 -5.487 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.567 -4.766 -4.310 1.00 0.00 H new ATOM 0 HG13 VAL A 75 4.933 -3.643 -4.108 1.00 0.00 H new ATOM 0 HG21 VAL A 75 5.660 -3.534 -7.057 1.00 0.00 H new ATOM 0 HG22 VAL A 75 6.856 -3.744 -5.756 1.00 0.00 H new ATOM 0 HG23 VAL A 75 6.777 -4.920 -7.090 1.00 0.00 H new ATOM 1137 N SER A 76 4.679 -7.024 -2.858 1.00 0.00 N ATOM 1138 CA SER A 76 4.028 -8.058 -2.084 1.00 0.00 C ATOM 1139 C SER A 76 3.467 -7.453 -0.781 1.00 0.00 C ATOM 1140 O SER A 76 4.065 -6.522 -0.228 1.00 0.00 O ATOM 1141 CB SER A 76 5.106 -9.125 -1.757 1.00 0.00 C ATOM 1142 OG SER A 76 4.590 -10.251 -1.050 1.00 0.00 O ATOM 0 H SER A 76 4.913 -6.188 -2.322 1.00 0.00 H new ATOM 0 HA SER A 76 3.200 -8.503 -2.636 1.00 0.00 H new ATOM 0 HB2 SER A 76 5.563 -9.466 -2.686 1.00 0.00 H new ATOM 0 HB3 SER A 76 5.896 -8.664 -1.164 1.00 0.00 H new ATOM 0 HG SER A 76 5.314 -10.887 -0.875 1.00 0.00 H new ATOM 1148 N PRO A 77 2.324 -7.994 -0.274 1.00 0.00 N ATOM 1149 CA PRO A 77 1.643 -7.497 0.946 1.00 0.00 C ATOM 1150 C PRO A 77 2.276 -7.979 2.262 1.00 0.00 C ATOM 1151 O PRO A 77 1.586 -8.114 3.281 1.00 0.00 O ATOM 1152 CB PRO A 77 0.235 -8.079 0.794 1.00 0.00 C ATOM 1153 CG PRO A 77 0.443 -9.365 0.081 1.00 0.00 C ATOM 1154 CD PRO A 77 1.587 -9.136 -0.869 1.00 0.00 C ATOM 0 HA PRO A 77 1.694 -6.410 1.016 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -0.238 -8.234 1.764 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -0.413 -7.410 0.227 1.00 0.00 H new ATOM 0 HG2 PRO A 77 0.674 -10.167 0.783 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -0.457 -9.662 -0.457 1.00 0.00 H new ATOM 0 HD2 PRO A 77 2.220 -10.020 -0.952 1.00 0.00 H new ATOM 0 HD3 PRO A 77 1.232 -8.903 -1.873 1.00 0.00 H new ATOM 1162 N SER A 78 3.552 -8.174 2.255 1.00 0.00 N ATOM 1163 CA SER A 78 4.269 -8.628 3.412 1.00 0.00 C ATOM 1164 C SER A 78 5.647 -8.144 3.284 1.00 0.00 C ATOM 1165 O SER A 78 6.052 -7.724 2.207 1.00 0.00 O ATOM 1166 CB SER A 78 4.256 -10.139 3.474 1.00 0.00 C ATOM 1167 OG SER A 78 4.811 -10.628 4.685 1.00 0.00 O ATOM 0 H SER A 78 4.140 -8.022 1.436 1.00 0.00 H new ATOM 0 HA SER A 78 3.807 -8.251 4.324 1.00 0.00 H new ATOM 0 HB2 SER A 78 3.231 -10.497 3.375 1.00 0.00 H new ATOM 0 HB3 SER A 78 4.817 -10.541 2.630 1.00 0.00 H new ATOM 0 HG SER A 78 4.782 -11.608 4.686 1.00 0.00 H new ATOM 1173 N LEU A 79 6.379 -8.211 4.356 1.00 0.00 N ATOM 1174 CA LEU A 79 7.707 -7.727 4.357 1.00 0.00 C ATOM 1175 C LEU A 79 8.542 -8.749 3.634 1.00 0.00 C ATOM 1176 O LEU A 79 9.352 -8.423 2.768 1.00 0.00 O ATOM 1177 CB LEU A 79 8.205 -7.485 5.783 1.00 0.00 C ATOM 1178 CG LEU A 79 7.229 -6.780 6.762 1.00 0.00 C ATOM 1179 CD1 LEU A 79 7.967 -6.222 7.970 1.00 0.00 C ATOM 1180 CD2 LEU A 79 6.379 -5.718 6.077 1.00 0.00 C ATOM 0 H LEU A 79 6.065 -8.602 5.244 1.00 0.00 H new ATOM 0 HA LEU A 79 7.773 -6.763 3.853 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.479 -8.448 6.214 1.00 0.00 H new ATOM 0 HB3 LEU A 79 9.116 -6.890 5.727 1.00 0.00 H new ATOM 0 HG LEU A 79 6.535 -7.541 7.120 1.00 0.00 H new ATOM 0 HD11 LEU A 79 7.256 -5.734 8.637 1.00 0.00 H new ATOM 0 HD12 LEU A 79 8.464 -7.035 8.500 1.00 0.00 H new ATOM 0 HD13 LEU A 79 8.711 -5.497 7.639 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.715 -5.257 6.808 1.00 0.00 H new ATOM 0 HD22 LEU A 79 7.028 -4.956 5.644 1.00 0.00 H new ATOM 0 HD23 LEU A 79 5.786 -6.180 5.288 1.00 0.00 H new ATOM 1192 N GLU A 80 8.306 -9.995 3.990 1.00 0.00 N ATOM 1193 CA GLU A 80 8.804 -11.135 3.275 1.00 0.00 C ATOM 1194 C GLU A 80 10.346 -11.271 3.259 1.00 0.00 C ATOM 1195 O GLU A 80 10.939 -11.921 4.132 1.00 0.00 O ATOM 1196 CB GLU A 80 8.219 -11.117 1.852 1.00 0.00 C ATOM 1197 CG GLU A 80 8.696 -12.205 0.960 1.00 0.00 C ATOM 1198 CD GLU A 80 8.285 -13.571 1.440 1.00 0.00 C ATOM 1199 OE1 GLU A 80 7.192 -14.033 1.059 1.00 0.00 O ATOM 1200 OE2 GLU A 80 9.035 -14.200 2.201 1.00 0.00 O ATOM 0 H GLU A 80 7.747 -10.241 4.807 1.00 0.00 H new ATOM 0 HA GLU A 80 8.472 -12.022 3.814 1.00 0.00 H new ATOM 0 HB2 GLU A 80 7.133 -11.176 1.922 1.00 0.00 H new ATOM 0 HB3 GLU A 80 8.457 -10.159 1.390 1.00 0.00 H new ATOM 0 HG2 GLU A 80 8.304 -12.044 -0.044 1.00 0.00 H new ATOM 0 HG3 GLU A 80 9.783 -12.161 0.889 1.00 0.00 H new ATOM 1207 N GLY A 81 10.981 -10.620 2.313 1.00 0.00 N ATOM 1208 CA GLY A 81 12.378 -10.810 2.096 1.00 0.00 C ATOM 1209 C GLY A 81 13.148 -9.617 2.503 1.00 0.00 C ATOM 1210 O GLY A 81 13.864 -9.013 1.694 1.00 0.00 O ATOM 0 H GLY A 81 10.540 -9.951 1.682 1.00 0.00 H new ATOM 0 HA2 GLY A 81 12.722 -11.678 2.659 1.00 0.00 H new ATOM 0 HA3 GLY A 81 12.560 -11.022 1.042 1.00 0.00 H new ATOM 1214 N LEU A 82 12.978 -9.259 3.738 1.00 0.00 N ATOM 1215 CA LEU A 82 13.597 -8.114 4.303 1.00 0.00 C ATOM 1216 C LEU A 82 14.140 -8.434 5.681 1.00 0.00 C ATOM 1217 O LEU A 82 13.411 -8.956 6.538 1.00 0.00 O ATOM 1218 CB LEU A 82 12.548 -7.026 4.437 1.00 0.00 C ATOM 1219 CG LEU A 82 11.905 -6.543 3.149 1.00 0.00 C ATOM 1220 CD1 LEU A 82 10.732 -5.702 3.475 1.00 0.00 C ATOM 1221 CD2 LEU A 82 12.869 -5.736 2.341 1.00 0.00 C ATOM 0 H LEU A 82 12.388 -9.773 4.393 1.00 0.00 H new ATOM 0 HA LEU A 82 14.418 -7.793 3.663 1.00 0.00 H new ATOM 0 HB2 LEU A 82 11.760 -7.391 5.096 1.00 0.00 H new ATOM 0 HB3 LEU A 82 13.006 -6.170 4.932 1.00 0.00 H new ATOM 0 HG LEU A 82 11.601 -7.413 2.568 1.00 0.00 H new ATOM 0 HD11 LEU A 82 10.267 -5.353 2.553 1.00 0.00 H new ATOM 0 HD12 LEU A 82 10.011 -6.288 4.045 1.00 0.00 H new ATOM 0 HD13 LEU A 82 11.052 -4.845 4.067 1.00 0.00 H new ATOM 0 HD21 LEU A 82 12.384 -5.402 1.424 1.00 0.00 H new ATOM 0 HD22 LEU A 82 13.191 -4.869 2.918 1.00 0.00 H new ATOM 0 HD23 LEU A 82 13.736 -6.348 2.091 1.00 0.00 H new ATOM 1233 N THR A 83 15.400 -8.170 5.873 1.00 0.00 N ATOM 1234 CA THR A 83 16.011 -8.234 7.182 1.00 0.00 C ATOM 1235 C THR A 83 15.911 -6.810 7.794 1.00 0.00 C ATOM 1236 O THR A 83 15.374 -5.914 7.128 1.00 0.00 O ATOM 1237 CB THR A 83 17.490 -8.748 7.102 1.00 0.00 C ATOM 1238 OG1 THR A 83 18.107 -8.764 8.400 1.00 0.00 O ATOM 1239 CG2 THR A 83 18.316 -7.915 6.155 1.00 0.00 C ATOM 0 H THR A 83 16.041 -7.902 5.126 1.00 0.00 H new ATOM 0 HA THR A 83 15.494 -8.952 7.819 1.00 0.00 H new ATOM 0 HB THR A 83 17.450 -9.768 6.719 1.00 0.00 H new ATOM 0 HG1 THR A 83 19.028 -9.090 8.321 1.00 0.00 H new ATOM 0 HG21 THR A 83 19.335 -8.301 6.125 1.00 0.00 H new ATOM 0 HG22 THR A 83 17.881 -7.961 5.156 1.00 0.00 H new ATOM 0 HG23 THR A 83 18.330 -6.880 6.498 1.00 0.00 H new ATOM 1247 N GLU A 84 16.421 -6.584 9.014 1.00 0.00 N ATOM 1248 CA GLU A 84 16.244 -5.284 9.696 1.00 0.00 C ATOM 1249 C GLU A 84 16.671 -4.092 8.851 1.00 0.00 C ATOM 1250 O GLU A 84 15.910 -3.163 8.705 1.00 0.00 O ATOM 1251 CB GLU A 84 16.953 -5.247 11.060 1.00 0.00 C ATOM 1252 CG GLU A 84 16.861 -3.914 11.778 1.00 0.00 C ATOM 1253 CD GLU A 84 17.454 -3.957 13.155 1.00 0.00 C ATOM 1254 OE1 GLU A 84 16.771 -4.418 14.083 1.00 0.00 O ATOM 1255 OE2 GLU A 84 18.618 -3.532 13.338 1.00 0.00 O ATOM 0 H GLU A 84 16.953 -7.272 9.547 1.00 0.00 H new ATOM 0 HA GLU A 84 15.170 -5.194 9.857 1.00 0.00 H new ATOM 0 HB2 GLU A 84 16.526 -6.020 11.699 1.00 0.00 H new ATOM 0 HB3 GLU A 84 18.004 -5.497 10.916 1.00 0.00 H new ATOM 0 HG2 GLU A 84 17.373 -3.153 11.190 1.00 0.00 H new ATOM 0 HG3 GLU A 84 15.815 -3.614 11.846 1.00 0.00 H new ATOM 1262 N LYS A 85 17.838 -4.162 8.232 1.00 0.00 N ATOM 1263 CA LYS A 85 18.365 -3.034 7.437 1.00 0.00 C ATOM 1264 C LYS A 85 17.363 -2.665 6.315 1.00 0.00 C ATOM 1265 O LYS A 85 17.161 -1.491 5.994 1.00 0.00 O ATOM 1266 CB LYS A 85 19.719 -3.424 6.794 1.00 0.00 C ATOM 1267 CG LYS A 85 19.543 -4.467 5.718 1.00 0.00 C ATOM 1268 CD LYS A 85 20.806 -4.937 5.055 1.00 0.00 C ATOM 1269 CE LYS A 85 21.728 -5.683 6.008 1.00 0.00 C ATOM 1270 NZ LYS A 85 22.937 -6.189 5.319 1.00 0.00 N ATOM 0 H LYS A 85 18.447 -4.980 8.257 1.00 0.00 H new ATOM 0 HA LYS A 85 18.507 -2.179 8.098 1.00 0.00 H new ATOM 0 HB2 LYS A 85 20.189 -2.537 6.369 1.00 0.00 H new ATOM 0 HB3 LYS A 85 20.392 -3.804 7.563 1.00 0.00 H new ATOM 0 HG2 LYS A 85 19.040 -5.330 6.153 1.00 0.00 H new ATOM 0 HG3 LYS A 85 18.880 -4.064 4.952 1.00 0.00 H new ATOM 0 HD2 LYS A 85 20.552 -5.588 4.218 1.00 0.00 H new ATOM 0 HD3 LYS A 85 21.335 -4.079 4.642 1.00 0.00 H new ATOM 0 HE2 LYS A 85 22.024 -5.020 6.821 1.00 0.00 H new ATOM 0 HE3 LYS A 85 21.189 -6.517 6.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 23.540 -6.691 6.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 22.656 -6.841 4.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 23.465 -5.390 4.912 1.00 0.00 H new ATOM 1284 N GLU A 86 16.734 -3.698 5.766 1.00 0.00 N ATOM 1285 CA GLU A 86 15.843 -3.605 4.673 1.00 0.00 C ATOM 1286 C GLU A 86 14.506 -3.129 5.128 1.00 0.00 C ATOM 1287 O GLU A 86 13.892 -2.254 4.504 1.00 0.00 O ATOM 1288 CB GLU A 86 15.747 -4.954 4.023 1.00 0.00 C ATOM 1289 CG GLU A 86 17.044 -5.419 3.394 1.00 0.00 C ATOM 1290 CD GLU A 86 16.923 -6.741 2.703 1.00 0.00 C ATOM 1291 OE1 GLU A 86 16.603 -7.734 3.368 1.00 0.00 O ATOM 1292 OE2 GLU A 86 17.144 -6.799 1.466 1.00 0.00 O ATOM 0 H GLU A 86 16.853 -4.653 6.103 1.00 0.00 H new ATOM 0 HA GLU A 86 16.214 -2.880 3.948 1.00 0.00 H new ATOM 0 HB2 GLU A 86 15.432 -5.685 4.768 1.00 0.00 H new ATOM 0 HB3 GLU A 86 14.972 -4.924 3.257 1.00 0.00 H new ATOM 0 HG2 GLU A 86 17.381 -4.671 2.677 1.00 0.00 H new ATOM 0 HG3 GLU A 86 17.810 -5.489 4.166 1.00 0.00 H new ATOM 1299 N ILE A 87 14.045 -3.703 6.228 1.00 0.00 N ATOM 1300 CA ILE A 87 12.805 -3.303 6.806 1.00 0.00 C ATOM 1301 C ILE A 87 12.891 -1.850 7.184 1.00 0.00 C ATOM 1302 O ILE A 87 11.985 -1.118 6.945 1.00 0.00 O ATOM 1303 CB ILE A 87 12.428 -4.101 8.064 1.00 0.00 C ATOM 1304 CG1 ILE A 87 12.286 -5.586 7.779 1.00 0.00 C ATOM 1305 CG2 ILE A 87 11.123 -3.575 8.587 1.00 0.00 C ATOM 1306 CD1 ILE A 87 11.976 -6.391 9.024 1.00 0.00 C ATOM 0 H ILE A 87 14.526 -4.450 6.729 1.00 0.00 H new ATOM 0 HA ILE A 87 12.036 -3.491 6.057 1.00 0.00 H new ATOM 0 HB ILE A 87 13.227 -3.981 8.796 1.00 0.00 H new ATOM 0 HG12 ILE A 87 11.493 -5.737 7.046 1.00 0.00 H new ATOM 0 HG13 ILE A 87 13.209 -5.956 7.332 1.00 0.00 H new ATOM 0 HG21 ILE A 87 10.839 -4.130 9.481 1.00 0.00 H new ATOM 0 HG22 ILE A 87 11.229 -2.519 8.834 1.00 0.00 H new ATOM 0 HG23 ILE A 87 10.352 -3.694 7.826 1.00 0.00 H new ATOM 0 HD11 ILE A 87 11.885 -7.445 8.762 1.00 0.00 H new ATOM 0 HD12 ILE A 87 12.781 -6.265 9.748 1.00 0.00 H new ATOM 0 HD13 ILE A 87 11.039 -6.043 9.458 1.00 0.00 H new ATOM 1318 N ASN A 88 14.032 -1.452 7.741 1.00 0.00 N ATOM 1319 CA ASN A 88 14.292 -0.059 8.163 1.00 0.00 C ATOM 1320 C ASN A 88 13.985 0.937 7.083 1.00 0.00 C ATOM 1321 O ASN A 88 13.502 2.037 7.362 1.00 0.00 O ATOM 1322 CB ASN A 88 15.733 0.104 8.597 1.00 0.00 C ATOM 1323 CG ASN A 88 16.013 -0.423 9.997 1.00 0.00 C ATOM 1324 OD1 ASN A 88 15.287 -1.259 10.517 1.00 0.00 O ATOM 1325 ND2 ASN A 88 17.076 0.013 10.597 1.00 0.00 N ATOM 0 H ASN A 88 14.813 -2.083 7.918 1.00 0.00 H new ATOM 0 HA ASN A 88 13.625 0.140 9.002 1.00 0.00 H new ATOM 0 HB2 ASN A 88 16.378 -0.414 7.887 1.00 0.00 H new ATOM 0 HB3 ASN A 88 15.998 1.160 8.556 1.00 0.00 H new ATOM 0 HD21 ASN A 88 17.321 -0.341 11.521 1.00 0.00 H new ATOM 0 HD22 ASN A 88 17.667 0.710 10.145 1.00 0.00 H new ATOM 1332 N THR A 89 14.250 0.556 5.866 1.00 0.00 N ATOM 1333 CA THR A 89 13.974 1.380 4.739 1.00 0.00 C ATOM 1334 C THR A 89 12.440 1.550 4.552 1.00 0.00 C ATOM 1335 O THR A 89 11.936 2.666 4.455 1.00 0.00 O ATOM 1336 CB THR A 89 14.608 0.729 3.507 1.00 0.00 C ATOM 1337 OG1 THR A 89 16.033 0.644 3.695 1.00 0.00 O ATOM 1338 CG2 THR A 89 14.296 1.500 2.268 1.00 0.00 C ATOM 0 H THR A 89 14.668 -0.345 5.633 1.00 0.00 H new ATOM 0 HA THR A 89 14.395 2.375 4.887 1.00 0.00 H new ATOM 0 HB THR A 89 14.193 -0.272 3.388 1.00 0.00 H new ATOM 0 HG1 THR A 89 16.233 -0.024 4.383 1.00 0.00 H new ATOM 0 HG21 THR A 89 14.760 1.013 1.410 1.00 0.00 H new ATOM 0 HG22 THR A 89 13.216 1.537 2.124 1.00 0.00 H new ATOM 0 HG23 THR A 89 14.684 2.514 2.363 1.00 0.00 H new ATOM 1346 N LEU A 90 11.723 0.448 4.594 1.00 0.00 N ATOM 1347 CA LEU A 90 10.263 0.439 4.479 1.00 0.00 C ATOM 1348 C LEU A 90 9.623 1.040 5.719 1.00 0.00 C ATOM 1349 O LEU A 90 8.643 1.740 5.636 1.00 0.00 O ATOM 1350 CB LEU A 90 9.792 -0.995 4.279 1.00 0.00 C ATOM 1351 CG LEU A 90 8.525 -1.417 5.027 1.00 0.00 C ATOM 1352 CD1 LEU A 90 7.262 -0.908 4.386 1.00 0.00 C ATOM 1353 CD2 LEU A 90 8.494 -2.891 5.269 1.00 0.00 C ATOM 0 H LEU A 90 12.131 -0.480 4.710 1.00 0.00 H new ATOM 0 HA LEU A 90 9.964 1.045 3.623 1.00 0.00 H new ATOM 0 HB2 LEU A 90 9.625 -1.152 3.213 1.00 0.00 H new ATOM 0 HB3 LEU A 90 10.600 -1.663 4.577 1.00 0.00 H new ATOM 0 HG LEU A 90 8.567 -0.934 6.003 1.00 0.00 H new ATOM 0 HD11 LEU A 90 6.400 -1.242 4.964 1.00 0.00 H new ATOM 0 HD12 LEU A 90 7.281 0.182 4.359 1.00 0.00 H new ATOM 0 HD13 LEU A 90 7.188 -1.295 3.370 1.00 0.00 H new ATOM 0 HD21 LEU A 90 7.580 -3.153 5.802 1.00 0.00 H new ATOM 0 HD22 LEU A 90 8.521 -3.417 4.315 1.00 0.00 H new ATOM 0 HD23 LEU A 90 9.358 -3.180 5.867 1.00 0.00 H new ATOM 1365 N ASN A 91 10.188 0.725 6.844 1.00 0.00 N ATOM 1366 CA ASN A 91 9.774 1.212 8.149 1.00 0.00 C ATOM 1367 C ASN A 91 9.773 2.750 8.113 1.00 0.00 C ATOM 1368 O ASN A 91 8.873 3.415 8.643 1.00 0.00 O ATOM 1369 CB ASN A 91 10.796 0.679 9.162 1.00 0.00 C ATOM 1370 CG ASN A 91 10.347 0.657 10.597 1.00 0.00 C ATOM 1371 OD1 ASN A 91 9.568 1.486 11.050 1.00 0.00 O ATOM 1372 ND2 ASN A 91 10.845 -0.330 11.321 1.00 0.00 N ATOM 0 H ASN A 91 10.988 0.094 6.893 1.00 0.00 H new ATOM 0 HA ASN A 91 8.774 0.878 8.424 1.00 0.00 H new ATOM 0 HB2 ASN A 91 11.072 -0.335 8.872 1.00 0.00 H new ATOM 0 HB3 ASN A 91 11.698 1.287 9.093 1.00 0.00 H new ATOM 0 HD21 ASN A 91 10.583 -0.425 12.302 1.00 0.00 H new ATOM 0 HD22 ASN A 91 11.491 -0.997 10.899 1.00 0.00 H new ATOM 1379 N ASP A 92 10.780 3.307 7.433 1.00 0.00 N ATOM 1380 CA ASP A 92 10.864 4.741 7.204 1.00 0.00 C ATOM 1381 C ASP A 92 9.759 5.177 6.249 1.00 0.00 C ATOM 1382 O ASP A 92 9.089 6.169 6.489 1.00 0.00 O ATOM 1383 CB ASP A 92 12.245 5.134 6.658 1.00 0.00 C ATOM 1384 CG ASP A 92 12.371 6.618 6.366 1.00 0.00 C ATOM 1385 OD1 ASP A 92 12.436 7.416 7.322 1.00 0.00 O ATOM 1386 OD2 ASP A 92 12.409 7.002 5.180 1.00 0.00 O ATOM 0 H ASP A 92 11.552 2.775 7.031 1.00 0.00 H new ATOM 0 HA ASP A 92 10.730 5.254 8.156 1.00 0.00 H new ATOM 0 HB2 ASP A 92 13.009 4.846 7.380 1.00 0.00 H new ATOM 0 HB3 ASP A 92 12.441 4.572 5.745 1.00 0.00 H new ATOM 1391 N TRP A 93 9.561 4.394 5.187 1.00 0.00 N ATOM 1392 CA TRP A 93 8.498 4.625 4.211 1.00 0.00 C ATOM 1393 C TRP A 93 7.115 4.679 4.850 1.00 0.00 C ATOM 1394 O TRP A 93 6.352 5.603 4.569 1.00 0.00 O ATOM 1395 CB TRP A 93 8.528 3.586 3.091 1.00 0.00 C ATOM 1396 CG TRP A 93 9.580 3.798 2.017 1.00 0.00 C ATOM 1397 CD1 TRP A 93 10.721 3.078 1.816 1.00 0.00 C ATOM 1398 CD2 TRP A 93 9.554 4.793 0.979 1.00 0.00 C ATOM 1399 NE1 TRP A 93 11.404 3.553 0.721 1.00 0.00 N ATOM 1400 CE2 TRP A 93 10.713 4.608 0.191 1.00 0.00 C ATOM 1401 CE3 TRP A 93 8.669 5.821 0.642 1.00 0.00 C ATOM 1402 CZ2 TRP A 93 10.999 5.410 -0.911 1.00 0.00 C ATOM 1403 CZ3 TRP A 93 8.956 6.615 -0.453 1.00 0.00 C ATOM 1404 CH2 TRP A 93 10.112 6.406 -1.216 1.00 0.00 C ATOM 0 H TRP A 93 10.137 3.578 4.980 1.00 0.00 H new ATOM 0 HA TRP A 93 8.694 5.606 3.778 1.00 0.00 H new ATOM 0 HB2 TRP A 93 8.685 2.604 3.537 1.00 0.00 H new ATOM 0 HB3 TRP A 93 7.548 3.566 2.614 1.00 0.00 H new ATOM 0 HD1 TRP A 93 11.043 2.251 2.431 1.00 0.00 H new ATOM 0 HE1 TRP A 93 12.283 3.179 0.362 1.00 0.00 H new ATOM 0 HE3 TRP A 93 7.777 5.992 1.226 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 11.888 5.252 -1.503 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 8.277 7.410 -0.725 1.00 0.00 H new ATOM 0 HH2 TRP A 93 10.307 7.045 -2.064 1.00 0.00 H new ATOM 1415 N GLU A 94 6.803 3.698 5.718 1.00 0.00 N ATOM 1416 CA GLU A 94 5.516 3.653 6.436 1.00 0.00 C ATOM 1417 C GLU A 94 5.277 4.990 7.082 1.00 0.00 C ATOM 1418 O GLU A 94 4.284 5.631 6.849 1.00 0.00 O ATOM 1419 CB GLU A 94 5.544 2.609 7.562 1.00 0.00 C ATOM 1420 CG GLU A 94 5.830 1.184 7.146 1.00 0.00 C ATOM 1421 CD GLU A 94 5.804 0.233 8.334 1.00 0.00 C ATOM 1422 OE1 GLU A 94 6.736 0.270 9.168 1.00 0.00 O ATOM 1423 OE2 GLU A 94 4.838 -0.530 8.479 1.00 0.00 O ATOM 0 H GLU A 94 7.428 2.923 5.939 1.00 0.00 H new ATOM 0 HA GLU A 94 4.737 3.398 5.717 1.00 0.00 H new ATOM 0 HB2 GLU A 94 6.297 2.911 8.290 1.00 0.00 H new ATOM 0 HB3 GLU A 94 4.581 2.630 8.072 1.00 0.00 H new ATOM 0 HG2 GLU A 94 5.093 0.865 6.409 1.00 0.00 H new ATOM 0 HG3 GLU A 94 6.806 1.135 6.662 1.00 0.00 H new ATOM 1430 N THR A 95 6.270 5.405 7.825 1.00 0.00 N ATOM 1431 CA THR A 95 6.299 6.630 8.623 1.00 0.00 C ATOM 1432 C THR A 95 5.912 7.881 7.796 1.00 0.00 C ATOM 1433 O THR A 95 5.317 8.837 8.313 1.00 0.00 O ATOM 1434 CB THR A 95 7.739 6.825 9.170 1.00 0.00 C ATOM 1435 OG1 THR A 95 8.147 5.639 9.903 1.00 0.00 O ATOM 1436 CG2 THR A 95 7.828 8.032 10.098 1.00 0.00 C ATOM 0 H THR A 95 7.137 4.874 7.902 1.00 0.00 H new ATOM 0 HA THR A 95 5.571 6.524 9.428 1.00 0.00 H new ATOM 0 HB THR A 95 8.398 6.994 8.318 1.00 0.00 H new ATOM 0 HG1 THR A 95 8.666 5.053 9.314 1.00 0.00 H new ATOM 0 HG21 THR A 95 8.850 8.137 10.461 1.00 0.00 H new ATOM 0 HG22 THR A 95 7.542 8.932 9.553 1.00 0.00 H new ATOM 0 HG23 THR A 95 7.155 7.891 10.944 1.00 0.00 H new ATOM 1444 N LYS A 96 6.235 7.856 6.527 1.00 0.00 N ATOM 1445 CA LYS A 96 6.027 8.987 5.661 1.00 0.00 C ATOM 1446 C LYS A 96 4.563 9.074 5.327 1.00 0.00 C ATOM 1447 O LYS A 96 3.949 10.134 5.382 1.00 0.00 O ATOM 1448 CB LYS A 96 6.880 8.814 4.419 1.00 0.00 C ATOM 1449 CG LYS A 96 8.358 8.605 4.748 1.00 0.00 C ATOM 1450 CD LYS A 96 8.988 9.819 5.408 1.00 0.00 C ATOM 1451 CE LYS A 96 10.460 9.581 5.689 1.00 0.00 C ATOM 1452 NZ LYS A 96 11.109 10.727 6.366 1.00 0.00 N ATOM 0 H LYS A 96 6.651 7.047 6.065 1.00 0.00 H new ATOM 0 HA LYS A 96 6.321 9.917 6.147 1.00 0.00 H new ATOM 0 HB2 LYS A 96 6.514 7.961 3.847 1.00 0.00 H new ATOM 0 HB3 LYS A 96 6.773 9.693 3.784 1.00 0.00 H new ATOM 0 HG2 LYS A 96 8.461 7.743 5.408 1.00 0.00 H new ATOM 0 HG3 LYS A 96 8.901 8.372 3.832 1.00 0.00 H new ATOM 0 HD2 LYS A 96 8.873 10.689 4.762 1.00 0.00 H new ATOM 0 HD3 LYS A 96 8.468 10.042 6.339 1.00 0.00 H new ATOM 0 HE2 LYS A 96 10.567 8.691 6.309 1.00 0.00 H new ATOM 0 HE3 LYS A 96 10.976 9.380 4.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 12.112 10.509 6.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 11.034 11.573 5.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 10.638 10.905 7.276 1.00 0.00 H new ATOM 1466 N PHE A 97 4.011 7.936 5.040 1.00 0.00 N ATOM 1467 CA PHE A 97 2.616 7.789 4.749 1.00 0.00 C ATOM 1468 C PHE A 97 1.790 7.972 6.014 1.00 0.00 C ATOM 1469 O PHE A 97 0.801 8.696 6.018 1.00 0.00 O ATOM 1470 CB PHE A 97 2.370 6.424 4.144 1.00 0.00 C ATOM 1471 CG PHE A 97 2.871 6.250 2.737 1.00 0.00 C ATOM 1472 CD1 PHE A 97 4.221 6.102 2.468 1.00 0.00 C ATOM 1473 CD2 PHE A 97 1.979 6.209 1.680 1.00 0.00 C ATOM 1474 CE1 PHE A 97 4.674 5.919 1.180 1.00 0.00 C ATOM 1475 CE2 PHE A 97 2.428 6.030 0.389 1.00 0.00 C ATOM 1476 CZ PHE A 97 3.777 5.884 0.141 1.00 0.00 C ATOM 0 H PHE A 97 4.531 7.059 5.000 1.00 0.00 H new ATOM 0 HA PHE A 97 2.314 8.554 4.034 1.00 0.00 H new ATOM 0 HB2 PHE A 97 2.843 5.673 4.777 1.00 0.00 H new ATOM 0 HB3 PHE A 97 1.298 6.225 4.159 1.00 0.00 H new ATOM 0 HD1 PHE A 97 4.931 6.130 3.282 1.00 0.00 H new ATOM 0 HD2 PHE A 97 0.921 6.318 1.868 1.00 0.00 H new ATOM 0 HE1 PHE A 97 5.731 5.804 0.988 1.00 0.00 H new ATOM 0 HE2 PHE A 97 1.723 6.004 -0.429 1.00 0.00 H new ATOM 0 HZ PHE A 97 4.128 5.742 -0.871 1.00 0.00 H new ATOM 1486 N GLU A 98 2.268 7.363 7.081 1.00 0.00 N ATOM 1487 CA GLU A 98 1.669 7.369 8.424 1.00 0.00 C ATOM 1488 C GLU A 98 1.408 8.771 8.977 1.00 0.00 C ATOM 1489 O GLU A 98 0.599 8.939 9.898 1.00 0.00 O ATOM 1490 CB GLU A 98 2.605 6.608 9.372 1.00 0.00 C ATOM 1491 CG GLU A 98 2.534 5.089 9.278 1.00 0.00 C ATOM 1492 CD GLU A 98 1.257 4.524 9.850 1.00 0.00 C ATOM 1493 OE1 GLU A 98 0.222 4.526 9.159 1.00 0.00 O ATOM 1494 OE2 GLU A 98 1.282 4.063 11.016 1.00 0.00 O ATOM 0 H GLU A 98 3.130 6.819 7.045 1.00 0.00 H new ATOM 0 HA GLU A 98 0.693 6.889 8.348 1.00 0.00 H new ATOM 0 HB2 GLU A 98 3.630 6.920 9.172 1.00 0.00 H new ATOM 0 HB3 GLU A 98 2.376 6.903 10.396 1.00 0.00 H new ATOM 0 HG2 GLU A 98 2.622 4.790 8.233 1.00 0.00 H new ATOM 0 HG3 GLU A 98 3.385 4.657 9.805 1.00 0.00 H new ATOM 1501 N ALA A 99 2.073 9.767 8.447 1.00 0.00 N ATOM 1502 CA ALA A 99 1.912 11.094 8.967 1.00 0.00 C ATOM 1503 C ALA A 99 1.247 12.032 7.970 1.00 0.00 C ATOM 1504 O ALA A 99 0.883 13.153 8.322 1.00 0.00 O ATOM 1505 CB ALA A 99 3.248 11.645 9.397 1.00 0.00 C ATOM 0 H ALA A 99 2.723 9.683 7.665 1.00 0.00 H new ATOM 0 HA ALA A 99 1.250 11.027 9.831 1.00 0.00 H new ATOM 0 HB1 ALA A 99 3.116 12.653 9.790 1.00 0.00 H new ATOM 0 HB2 ALA A 99 3.673 11.006 10.171 1.00 0.00 H new ATOM 0 HB3 ALA A 99 3.922 11.675 8.541 1.00 0.00 H new ATOM 1511 N LYS A 100 1.080 11.594 6.735 1.00 0.00 N ATOM 1512 CA LYS A 100 0.528 12.472 5.707 1.00 0.00 C ATOM 1513 C LYS A 100 -0.742 11.924 5.104 1.00 0.00 C ATOM 1514 O LYS A 100 -1.765 12.613 5.024 1.00 0.00 O ATOM 1515 CB LYS A 100 1.542 12.763 4.579 1.00 0.00 C ATOM 1516 CG LYS A 100 2.683 13.736 4.899 1.00 0.00 C ATOM 1517 CD LYS A 100 3.660 13.226 5.937 1.00 0.00 C ATOM 1518 CE LYS A 100 4.766 14.226 6.145 1.00 0.00 C ATOM 1519 NZ LYS A 100 5.787 13.753 7.106 1.00 0.00 N ATOM 0 H LYS A 100 1.313 10.653 6.418 1.00 0.00 H new ATOM 0 HA LYS A 100 0.296 13.406 6.220 1.00 0.00 H new ATOM 0 HB2 LYS A 100 1.983 11.816 4.268 1.00 0.00 H new ATOM 0 HB3 LYS A 100 0.993 13.156 3.723 1.00 0.00 H new ATOM 0 HG2 LYS A 100 3.227 13.955 3.980 1.00 0.00 H new ATOM 0 HG3 LYS A 100 2.257 14.676 5.249 1.00 0.00 H new ATOM 0 HD2 LYS A 100 3.141 13.046 6.878 1.00 0.00 H new ATOM 0 HD3 LYS A 100 4.078 12.272 5.616 1.00 0.00 H new ATOM 0 HE2 LYS A 100 5.243 14.438 5.188 1.00 0.00 H new ATOM 0 HE3 LYS A 100 4.341 15.163 6.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 6.525 14.478 7.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 5.340 13.575 8.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 6.215 12.873 6.753 1.00 0.00 H new ATOM 1533 N TYR A 101 -0.685 10.702 4.692 1.00 0.00 N ATOM 1534 CA TYR A 101 -1.780 10.076 4.015 1.00 0.00 C ATOM 1535 C TYR A 101 -2.665 9.350 5.011 1.00 0.00 C ATOM 1536 O TYR A 101 -2.168 8.756 5.957 1.00 0.00 O ATOM 1537 CB TYR A 101 -1.246 9.132 2.941 1.00 0.00 C ATOM 1538 CG TYR A 101 -0.462 9.830 1.831 1.00 0.00 C ATOM 1539 CD1 TYR A 101 -1.104 10.329 0.702 1.00 0.00 C ATOM 1540 CD2 TYR A 101 0.917 9.985 1.915 1.00 0.00 C ATOM 1541 CE1 TYR A 101 -0.391 10.958 -0.309 1.00 0.00 C ATOM 1542 CE2 TYR A 101 1.634 10.611 0.915 1.00 0.00 C ATOM 1543 CZ TYR A 101 0.980 11.095 -0.196 1.00 0.00 C ATOM 1544 OH TYR A 101 1.703 11.720 -1.200 1.00 0.00 O ATOM 0 H TYR A 101 0.129 10.100 4.815 1.00 0.00 H new ATOM 0 HA TYR A 101 -2.391 10.834 3.526 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -0.603 8.389 3.413 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -2.083 8.594 2.497 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -2.175 10.225 0.611 1.00 0.00 H new ATOM 0 HD2 TYR A 101 1.439 9.607 2.782 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -0.905 11.338 -1.180 1.00 0.00 H new ATOM 0 HE2 TYR A 101 2.705 10.721 1.004 1.00 0.00 H new ATOM 0 HH TYR A 101 2.653 11.732 -0.960 1.00 0.00 H new ATOM 1554 N PRO A 102 -3.983 9.410 4.831 1.00 0.00 N ATOM 1555 CA PRO A 102 -4.930 8.819 5.769 1.00 0.00 C ATOM 1556 C PRO A 102 -5.068 7.308 5.623 1.00 0.00 C ATOM 1557 O PRO A 102 -5.234 6.784 4.514 1.00 0.00 O ATOM 1558 CB PRO A 102 -6.242 9.490 5.380 1.00 0.00 C ATOM 1559 CG PRO A 102 -6.113 9.678 3.917 1.00 0.00 C ATOM 1560 CD PRO A 102 -4.678 10.062 3.695 1.00 0.00 C ATOM 0 HA PRO A 102 -4.616 8.970 6.802 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -7.101 8.868 5.631 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -6.376 10.440 5.897 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -6.364 8.764 3.379 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -6.789 10.455 3.559 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -4.307 9.703 2.735 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -4.543 11.144 3.705 1.00 0.00 H new ATOM 1568 N VAL A 103 -5.007 6.622 6.735 1.00 0.00 N ATOM 1569 CA VAL A 103 -5.244 5.196 6.760 1.00 0.00 C ATOM 1570 C VAL A 103 -6.734 4.989 6.734 1.00 0.00 C ATOM 1571 O VAL A 103 -7.428 5.236 7.726 1.00 0.00 O ATOM 1572 CB VAL A 103 -4.641 4.491 8.013 1.00 0.00 C ATOM 1573 CG1 VAL A 103 -4.975 3.002 8.011 1.00 0.00 C ATOM 1574 CG2 VAL A 103 -3.148 4.663 8.044 1.00 0.00 C ATOM 0 H VAL A 103 -4.793 7.030 7.645 1.00 0.00 H new ATOM 0 HA VAL A 103 -4.750 4.751 5.896 1.00 0.00 H new ATOM 0 HB VAL A 103 -5.078 4.953 8.898 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -4.544 2.531 8.895 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -6.057 2.872 8.022 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -4.563 2.538 7.115 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -2.743 4.165 8.925 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -2.712 4.224 7.146 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -2.905 5.725 8.083 1.00 0.00 H new ATOM 1584 N VAL A 104 -7.228 4.595 5.606 1.00 0.00 N ATOM 1585 CA VAL A 104 -8.655 4.420 5.432 1.00 0.00 C ATOM 1586 C VAL A 104 -9.115 3.011 5.769 1.00 0.00 C ATOM 1587 O VAL A 104 -10.312 2.743 5.845 1.00 0.00 O ATOM 1588 CB VAL A 104 -9.125 4.821 4.017 1.00 0.00 C ATOM 1589 CG1 VAL A 104 -8.916 6.314 3.796 1.00 0.00 C ATOM 1590 CG2 VAL A 104 -8.371 4.033 2.964 1.00 0.00 C ATOM 0 H VAL A 104 -6.670 4.384 4.779 1.00 0.00 H new ATOM 0 HA VAL A 104 -9.124 5.098 6.145 1.00 0.00 H new ATOM 0 HB VAL A 104 -10.188 4.594 3.930 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -9.251 6.584 2.795 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -9.489 6.875 4.534 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -7.858 6.553 3.901 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -8.715 4.328 1.973 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -7.304 4.235 3.053 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -8.551 2.968 3.108 1.00 0.00 H new ATOM 1600 N GLY A 105 -8.178 2.121 5.975 1.00 0.00 N ATOM 1601 CA GLY A 105 -8.521 0.773 6.325 1.00 0.00 C ATOM 1602 C GLY A 105 -7.340 -0.139 6.226 1.00 0.00 C ATOM 1603 O GLY A 105 -6.192 0.302 6.398 1.00 0.00 O ATOM 0 H GLY A 105 -7.177 2.307 5.906 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -8.915 0.749 7.341 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -9.313 0.416 5.667 1.00 0.00 H new ATOM 1607 N ARG A 106 -7.585 -1.392 5.919 1.00 0.00 N ATOM 1608 CA ARG A 106 -6.507 -2.348 5.827 1.00 0.00 C ATOM 1609 C ARG A 106 -6.659 -3.141 4.577 1.00 0.00 C ATOM 1610 O ARG A 106 -7.731 -3.150 3.952 1.00 0.00 O ATOM 1611 CB ARG A 106 -6.478 -3.375 7.004 1.00 0.00 C ATOM 1612 CG ARG A 106 -7.265 -4.651 6.756 1.00 0.00 C ATOM 1613 CD ARG A 106 -8.720 -4.425 6.778 1.00 0.00 C ATOM 1614 NE ARG A 106 -9.173 -3.992 8.112 1.00 0.00 N ATOM 1615 CZ ARG A 106 -10.261 -4.402 8.786 1.00 0.00 C ATOM 1616 NH1 ARG A 106 -11.012 -5.394 8.350 1.00 0.00 N ATOM 1617 NH2 ARG A 106 -10.556 -3.831 9.945 1.00 0.00 N ATOM 0 H ARG A 106 -8.513 -1.770 5.730 1.00 0.00 H new ATOM 0 HA ARG A 106 -5.588 -1.763 5.852 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -5.441 -3.639 7.212 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -6.869 -2.892 7.899 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -6.979 -5.069 5.791 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -7.003 -5.390 7.514 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -8.984 -3.669 6.038 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -9.237 -5.342 6.495 1.00 0.00 H new ATOM 0 HE ARG A 106 -8.591 -3.298 8.580 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -10.773 -5.871 7.481 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -11.832 -5.685 8.882 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -9.960 -3.090 10.315 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -11.379 -4.132 10.467 1.00 0.00 H new ATOM 1631 N VAL A 107 -5.627 -3.798 4.221 1.00 0.00 N ATOM 1632 CA VAL A 107 -5.714 -4.753 3.218 1.00 0.00 C ATOM 1633 C VAL A 107 -5.629 -6.133 3.880 1.00 0.00 C ATOM 1634 O VAL A 107 -4.852 -6.353 4.827 1.00 0.00 O ATOM 1635 CB VAL A 107 -4.642 -4.607 2.149 1.00 0.00 C ATOM 1636 CG1 VAL A 107 -3.309 -4.844 2.737 1.00 0.00 C ATOM 1637 CG2 VAL A 107 -4.922 -5.542 1.016 1.00 0.00 C ATOM 0 H VAL A 107 -4.698 -3.681 4.625 1.00 0.00 H new ATOM 0 HA VAL A 107 -6.662 -4.619 2.697 1.00 0.00 H new ATOM 0 HB VAL A 107 -4.655 -3.591 1.753 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -2.547 -4.738 1.965 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -3.127 -4.118 3.530 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -3.268 -5.851 3.151 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.150 -5.432 0.254 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -4.925 -6.568 1.383 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -5.895 -5.308 0.583 1.00 0.00 H new ATOM 1647 N VAL A 108 -6.435 -7.003 3.430 1.00 0.00 N ATOM 1648 CA VAL A 108 -6.521 -8.319 3.931 1.00 0.00 C ATOM 1649 C VAL A 108 -6.138 -9.288 2.854 1.00 0.00 C ATOM 1650 O VAL A 108 -6.374 -9.040 1.670 1.00 0.00 O ATOM 1651 CB VAL A 108 -7.927 -8.598 4.505 1.00 0.00 C ATOM 1652 CG1 VAL A 108 -8.121 -7.690 5.643 1.00 0.00 C ATOM 1653 CG2 VAL A 108 -8.975 -8.239 3.528 1.00 0.00 C ATOM 0 H VAL A 108 -7.086 -6.815 2.667 1.00 0.00 H new ATOM 0 HA VAL A 108 -5.822 -8.443 4.758 1.00 0.00 H new ATOM 0 HB VAL A 108 -7.997 -9.654 4.767 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -9.107 -7.857 6.078 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -7.356 -7.881 6.395 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -8.045 -6.658 5.302 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -9.956 -8.445 3.955 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -8.899 -7.179 3.286 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -8.844 -8.828 2.621 1.00 0.00 H new ATOM 1663 N SER A 109 -5.508 -10.333 3.236 1.00 0.00 N ATOM 1664 CA SER A 109 -4.997 -11.270 2.317 1.00 0.00 C ATOM 1665 C SER A 109 -5.075 -12.655 2.952 1.00 0.00 C ATOM 1666 O SER A 109 -4.152 -13.033 3.695 1.00 0.00 O ATOM 1667 CB SER A 109 -3.551 -10.857 1.980 1.00 0.00 C ATOM 1668 OG SER A 109 -2.921 -11.730 1.053 1.00 0.00 O ATOM 1669 OXT SER A 109 -6.090 -13.364 2.735 1.00 0.00 O ATOM 0 H SER A 109 -5.331 -10.564 4.214 1.00 0.00 H new ATOM 0 HA SER A 109 -5.569 -11.298 1.390 1.00 0.00 H new ATOM 0 HB2 SER A 109 -3.554 -9.846 1.572 1.00 0.00 H new ATOM 0 HB3 SER A 109 -2.965 -10.828 2.898 1.00 0.00 H new ATOM 0 HG SER A 109 -2.009 -11.417 0.877 1.00 0.00 H new