USER MOD reduce.3.24.130724 H: found=0, std=0, add=868, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 871 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 CYS SG : rot -130:sc= -2.34 USER MOD Single : A 21 TYR OH : rot 180:sc= -0.387 USER MOD Single : A 22 ASN :FLIP amide:sc= -2.23 F(o=-2.8!,f=-2.2) USER MOD Single : A 35 THR OG1 : rot -75:sc= -0.578 USER MOD Single : A 38 TYR OH : rot -15:sc= -0.908 USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.252 USER MOD Single : A 48 GLN : amide:sc= -1.01 K(o=-1,f=-2.2!) USER MOD Single : A 52 TYR OH : rot -29:sc= 0.127 USER MOD Single : A 53 GLN : amide:sc= -0.136 X(o=-0.14,f=-0.14) USER MOD Single : A 54 HIS : no HD1:sc= -0.103 X(o=-0.1,f=-0.012) USER MOD Single : A 57 GLN : amide:sc= -1.13 X(o=-1.1,f=-0.65) USER MOD Single : A 58 GLN : amide:sc= 0.32 K(o=0.32,f=-3.8!) USER MOD Single : A 59 CYS SG : rot 124:sc= -0.619 USER MOD Single : A 60 THR OG1 : rot 180:sc= -2.53! USER MOD Single : A 87 THR OG1 : rot -81:sc= 1.49 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= -0.473 X(o=-0.47,f=-0.63) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 THR OG1 : rot -50:sc= -1.25 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ -125:sc= 0.395 (180deg=-3.6!) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 GLN : amide:sc= -0.712 X(o=-0.71,f=-0.43) USER MOD Single : A 114 ASN : amide:sc= -0.0014 K(o=-0.0014,f=-1) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 SER OG : rot 37:sc= 1.22 USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 116 N LYS A 11 -10.294 8.960 8.916 1.00 0.00 N ATOM 117 CA LYS A 11 -9.071 9.509 9.488 1.00 0.00 C ATOM 118 C LYS A 11 -7.903 8.547 9.299 1.00 0.00 C ATOM 119 O LYS A 11 -8.062 7.467 8.729 1.00 0.00 O ATOM 120 CB LYS A 11 -9.266 9.806 10.976 1.00 0.00 C ATOM 121 CG LYS A 11 -10.343 10.841 11.254 1.00 0.00 C ATOM 122 CD LYS A 11 -10.052 11.620 12.525 1.00 0.00 C ATOM 123 CE LYS A 11 -9.090 12.769 12.267 1.00 0.00 C ATOM 124 NZ LYS A 11 -9.284 13.884 13.236 1.00 0.00 N ATOM 0 HA LYS A 11 -8.842 10.438 8.967 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -9.521 8.881 11.492 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.322 10.155 11.395 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -10.413 11.530 10.412 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -11.310 10.346 11.343 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -10.984 12.009 12.936 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -9.629 10.951 13.274 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.064 12.406 12.332 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -9.232 13.141 11.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -8.610 14.647 13.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -10.255 14.248 13.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -9.123 13.536 14.203 1.00 0.00 H new ATOM 138 N ILE A 12 -6.731 8.945 9.783 1.00 0.00 N ATOM 139 CA ILE A 12 -5.537 8.115 9.670 1.00 0.00 C ATOM 140 C ILE A 12 -4.671 8.225 10.920 1.00 0.00 C ATOM 141 O ILE A 12 -4.587 9.286 11.539 1.00 0.00 O ATOM 142 CB ILE A 12 -4.695 8.505 8.440 1.00 0.00 C ATOM 143 CG1 ILE A 12 -3.451 7.620 8.345 1.00 0.00 C ATOM 144 CG2 ILE A 12 -4.302 9.974 8.512 1.00 0.00 C ATOM 145 CD1 ILE A 12 -2.749 7.706 7.008 1.00 0.00 C ATOM 0 H ILE A 12 -6.583 9.836 10.257 1.00 0.00 H new ATOM 0 HA ILE A 12 -5.877 7.086 9.556 1.00 0.00 H new ATOM 0 HB ILE A 12 -5.296 8.353 7.543 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -2.752 7.904 9.132 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -3.737 6.585 8.530 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -3.708 10.235 7.636 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -5.201 10.590 8.537 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.716 10.150 9.414 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.876 7.053 7.013 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -3.432 7.394 6.218 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -2.432 8.733 6.829 1.00 0.00 H new ATOM 157 N ASP A 13 -4.028 7.121 11.286 1.00 0.00 N ATOM 158 CA ASP A 13 -3.166 7.092 12.461 1.00 0.00 C ATOM 159 C ASP A 13 -1.761 7.576 12.116 1.00 0.00 C ATOM 160 O ASP A 13 -0.767 6.987 12.542 1.00 0.00 O ATOM 161 CB ASP A 13 -3.104 5.678 13.040 1.00 0.00 C ATOM 162 CG ASP A 13 -4.172 5.435 14.089 1.00 0.00 C ATOM 163 OD1 ASP A 13 -5.330 5.845 13.864 1.00 0.00 O ATOM 164 OD2 ASP A 13 -3.849 4.833 15.134 1.00 0.00 O ATOM 0 H ASP A 13 -4.088 6.234 10.785 1.00 0.00 H new ATOM 0 HA ASP A 13 -3.589 7.764 13.208 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -3.219 4.953 12.234 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -2.121 5.512 13.481 1.00 0.00 H new ATOM 169 N LYS A 14 -1.685 8.653 11.341 1.00 0.00 N ATOM 170 CA LYS A 14 -0.403 9.217 10.938 1.00 0.00 C ATOM 171 C LYS A 14 0.698 8.821 11.917 1.00 0.00 C ATOM 172 O LYS A 14 1.780 8.398 11.511 1.00 0.00 O ATOM 173 CB LYS A 14 -0.498 10.741 10.850 1.00 0.00 C ATOM 174 CG LYS A 14 -0.912 11.248 9.478 1.00 0.00 C ATOM 175 CD LYS A 14 -1.155 12.747 9.486 1.00 0.00 C ATOM 176 CE LYS A 14 0.124 13.520 9.203 1.00 0.00 C ATOM 177 NZ LYS A 14 -0.118 14.989 9.141 1.00 0.00 N ATOM 0 H LYS A 14 -2.497 9.153 10.979 1.00 0.00 H new ATOM 0 HA LYS A 14 -0.152 8.818 9.955 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.215 11.095 11.590 1.00 0.00 H new ATOM 0 HB3 LYS A 14 0.468 11.172 11.111 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.136 11.009 8.751 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.818 10.734 9.158 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -1.907 12.999 8.738 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -1.556 13.047 10.454 1.00 0.00 H new ATOM 0 HE2 LYS A 14 0.858 13.305 9.980 1.00 0.00 H new ATOM 0 HE3 LYS A 14 0.551 13.182 8.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 0.778 15.480 8.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.799 15.197 8.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -0.502 15.316 10.050 1.00 0.00 H new ATOM 191 N GLU A 15 0.414 8.962 13.208 1.00 0.00 N ATOM 192 CA GLU A 15 1.380 8.618 14.244 1.00 0.00 C ATOM 193 C GLU A 15 1.827 7.165 14.111 1.00 0.00 C ATOM 194 O GLU A 15 3.010 6.883 13.922 1.00 0.00 O ATOM 195 CB GLU A 15 0.779 8.853 15.631 1.00 0.00 C ATOM 196 CG GLU A 15 -0.248 9.972 15.668 1.00 0.00 C ATOM 197 CD GLU A 15 -0.385 10.594 17.044 1.00 0.00 C ATOM 198 OE1 GLU A 15 -0.768 9.870 17.988 1.00 0.00 O ATOM 199 OE2 GLU A 15 -0.108 11.804 17.178 1.00 0.00 O ATOM 0 H GLU A 15 -0.477 9.312 13.561 1.00 0.00 H new ATOM 0 HA GLU A 15 2.251 9.261 14.120 1.00 0.00 H new ATOM 0 HB2 GLU A 15 0.312 7.931 15.976 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.582 9.085 16.331 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.035 10.743 14.952 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -1.216 9.582 15.352 1.00 0.00 H new ATOM 206 N ALA A 16 0.872 6.247 14.213 1.00 0.00 N ATOM 207 CA ALA A 16 1.166 4.823 14.103 1.00 0.00 C ATOM 208 C ALA A 16 1.623 4.464 12.693 1.00 0.00 C ATOM 209 O ALA A 16 2.450 3.571 12.507 1.00 0.00 O ATOM 210 CB ALA A 16 -0.055 4.001 14.488 1.00 0.00 C ATOM 0 H ALA A 16 -0.112 6.464 14.372 1.00 0.00 H new ATOM 0 HA ALA A 16 1.979 4.591 14.791 1.00 0.00 H new ATOM 0 HB1 ALA A 16 0.179 2.940 14.401 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.337 4.228 15.516 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -0.883 4.246 13.823 1.00 0.00 H new ATOM 216 N CYS A 17 1.080 5.165 11.703 1.00 0.00 N ATOM 217 CA CYS A 17 1.432 4.920 10.309 1.00 0.00 C ATOM 218 C CYS A 17 2.905 5.228 10.058 1.00 0.00 C ATOM 219 O CYS A 17 3.645 4.389 9.543 1.00 0.00 O ATOM 220 CB CYS A 17 0.556 5.765 9.384 1.00 0.00 C ATOM 221 SG CYS A 17 -1.216 5.626 9.715 1.00 0.00 S ATOM 0 H CYS A 17 0.394 5.908 11.840 1.00 0.00 H new ATOM 0 HA CYS A 17 1.259 3.865 10.096 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.851 6.810 9.477 1.00 0.00 H new ATOM 0 HB3 CYS A 17 0.746 5.470 8.352 1.00 0.00 H new ATOM 0 HG CYS A 17 -1.847 5.381 8.605 1.00 0.00 H new ATOM 227 N ARG A 18 3.322 6.436 10.423 1.00 0.00 N ATOM 228 CA ARG A 18 4.706 6.856 10.234 1.00 0.00 C ATOM 229 C ARG A 18 5.671 5.770 10.701 1.00 0.00 C ATOM 230 O ARG A 18 6.702 5.532 10.073 1.00 0.00 O ATOM 231 CB ARG A 18 4.974 8.155 10.996 1.00 0.00 C ATOM 232 CG ARG A 18 6.444 8.543 11.038 1.00 0.00 C ATOM 233 CD ARG A 18 6.822 9.419 9.854 1.00 0.00 C ATOM 234 NE ARG A 18 6.232 10.751 9.948 1.00 0.00 N ATOM 235 CZ ARG A 18 6.495 11.734 9.094 1.00 0.00 C ATOM 236 NH1 ARG A 18 7.335 11.534 8.087 1.00 0.00 N ATOM 237 NH2 ARG A 18 5.918 12.919 9.246 1.00 0.00 N ATOM 0 H ARG A 18 2.722 7.141 10.851 1.00 0.00 H new ATOM 0 HA ARG A 18 4.867 7.027 9.170 1.00 0.00 H new ATOM 0 HB2 ARG A 18 4.407 8.962 10.533 1.00 0.00 H new ATOM 0 HB3 ARG A 18 4.605 8.051 12.016 1.00 0.00 H new ATOM 0 HG2 ARG A 18 6.655 9.073 11.967 1.00 0.00 H new ATOM 0 HG3 ARG A 18 7.059 7.643 11.038 1.00 0.00 H new ATOM 0 HD2 ARG A 18 7.907 9.506 9.800 1.00 0.00 H new ATOM 0 HD3 ARG A 18 6.494 8.942 8.931 1.00 0.00 H new ATOM 0 HE ARG A 18 5.582 10.937 10.712 1.00 0.00 H new ATOM 0 HH11 ARG A 18 7.780 10.624 7.967 1.00 0.00 H new ATOM 0 HH12 ARG A 18 7.536 12.290 7.432 1.00 0.00 H new ATOM 0 HH21 ARG A 18 5.272 13.076 10.019 1.00 0.00 H new ATOM 0 HH22 ARG A 18 6.121 13.673 8.590 1.00 0.00 H new ATOM 251 N ALA A 19 5.329 5.116 11.806 1.00 0.00 N ATOM 252 CA ALA A 19 6.165 4.056 12.356 1.00 0.00 C ATOM 253 C ALA A 19 6.291 2.893 11.376 1.00 0.00 C ATOM 254 O ALA A 19 7.394 2.433 11.083 1.00 0.00 O ATOM 255 CB ALA A 19 5.600 3.573 13.683 1.00 0.00 C ATOM 0 H ALA A 19 4.479 5.302 12.338 1.00 0.00 H new ATOM 0 HA ALA A 19 7.162 4.463 12.526 1.00 0.00 H new ATOM 0 HB1 ALA A 19 6.234 2.782 14.082 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.568 4.403 14.389 1.00 0.00 H new ATOM 0 HB3 ALA A 19 4.592 3.188 13.531 1.00 0.00 H new ATOM 261 N ALA A 20 5.154 2.422 10.875 1.00 0.00 N ATOM 262 CA ALA A 20 5.137 1.314 9.929 1.00 0.00 C ATOM 263 C ALA A 20 5.851 1.688 8.633 1.00 0.00 C ATOM 264 O ALA A 20 6.605 0.891 8.075 1.00 0.00 O ATOM 265 CB ALA A 20 3.707 0.887 9.641 1.00 0.00 C ATOM 0 H ALA A 20 4.232 2.791 11.109 1.00 0.00 H new ATOM 0 HA ALA A 20 5.670 0.477 10.379 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.710 0.058 8.933 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.228 0.570 10.568 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.156 1.726 9.216 1.00 0.00 H new ATOM 271 N TYR A 21 5.607 2.905 8.159 1.00 0.00 N ATOM 272 CA TYR A 21 6.222 3.383 6.927 1.00 0.00 C ATOM 273 C TYR A 21 7.730 3.546 7.099 1.00 0.00 C ATOM 274 O TYR A 21 8.475 3.601 6.123 1.00 0.00 O ATOM 275 CB TYR A 21 5.600 4.714 6.504 1.00 0.00 C ATOM 276 CG TYR A 21 6.552 5.616 5.751 1.00 0.00 C ATOM 277 CD1 TYR A 21 6.703 5.504 4.374 1.00 0.00 C ATOM 278 CD2 TYR A 21 7.300 6.580 6.415 1.00 0.00 C ATOM 279 CE1 TYR A 21 7.571 6.325 3.682 1.00 0.00 C ATOM 280 CE2 TYR A 21 8.171 7.406 5.731 1.00 0.00 C ATOM 281 CZ TYR A 21 8.303 7.275 4.365 1.00 0.00 C ATOM 282 OH TYR A 21 9.168 8.095 3.678 1.00 0.00 O ATOM 0 H TYR A 21 4.987 3.578 8.610 1.00 0.00 H new ATOM 0 HA TYR A 21 6.040 2.641 6.149 1.00 0.00 H new ATOM 0 HB2 TYR A 21 4.729 4.516 5.879 1.00 0.00 H new ATOM 0 HB3 TYR A 21 5.243 5.237 7.391 1.00 0.00 H new ATOM 0 HD1 TYR A 21 6.132 4.762 3.836 1.00 0.00 H new ATOM 0 HD2 TYR A 21 7.199 6.686 7.485 1.00 0.00 H new ATOM 0 HE1 TYR A 21 7.677 6.224 2.612 1.00 0.00 H new ATOM 0 HE2 TYR A 21 8.745 8.150 6.263 1.00 0.00 H new ATOM 0 HH TYR A 21 9.605 8.708 4.305 1.00 0.00 H new ATOM 292 N ASN A 22 8.171 3.621 8.352 1.00 0.00 N ATOM 293 CA ASN A 22 9.590 3.778 8.653 1.00 0.00 C ATOM 294 C ASN A 22 10.254 2.419 8.857 1.00 0.00 C ATOM 295 O ASN A 22 11.342 2.165 8.338 1.00 0.00 O ATOM 296 CB ASN A 22 9.773 4.640 9.904 1.00 0.00 C ATOM 297 CG ASN A 22 9.650 6.122 9.607 1.00 0.00 C ATOM 298 OD1 ASN A 22 9.069 6.866 10.541 1.00 0.00 O flip ATOM 299 ND2 ASN A 22 10.071 6.592 8.550 1.00 0.00 N flip ATOM 0 H ASN A 22 7.567 3.576 9.173 1.00 0.00 H new ATOM 0 HA ASN A 22 10.065 4.272 7.806 1.00 0.00 H new ATOM 0 HB2 ASN A 22 9.028 4.358 10.648 1.00 0.00 H new ATOM 0 HB3 ASN A 22 10.752 4.439 10.340 1.00 0.00 H new ATOM 0 HD21 ASN A 22 10.511 5.983 7.860 1.00 0.00 H new ATOM 0 HD22 ASN A 22 9.980 7.591 8.364 1.00 0.00 H new ATOM 306 N LEU A 23 9.595 1.551 9.615 1.00 0.00 N ATOM 307 CA LEU A 23 10.122 0.218 9.887 1.00 0.00 C ATOM 308 C LEU A 23 10.523 -0.482 8.593 1.00 0.00 C ATOM 309 O LEU A 23 11.261 -1.468 8.610 1.00 0.00 O ATOM 310 CB LEU A 23 9.082 -0.620 10.634 1.00 0.00 C ATOM 311 CG LEU A 23 9.154 -0.531 12.159 1.00 0.00 C ATOM 312 CD1 LEU A 23 10.485 -1.065 12.663 1.00 0.00 C ATOM 313 CD2 LEU A 23 8.944 0.904 12.618 1.00 0.00 C ATOM 0 H LEU A 23 8.694 1.746 10.053 1.00 0.00 H new ATOM 0 HA LEU A 23 11.009 0.324 10.511 1.00 0.00 H new ATOM 0 HB2 LEU A 23 8.088 -0.308 10.313 1.00 0.00 H new ATOM 0 HB3 LEU A 23 9.199 -1.663 10.340 1.00 0.00 H new ATOM 0 HG LEU A 23 8.358 -1.146 12.578 1.00 0.00 H new ATOM 0 HD11 LEU A 23 10.518 -0.993 13.750 1.00 0.00 H new ATOM 0 HD12 LEU A 23 10.595 -2.108 12.364 1.00 0.00 H new ATOM 0 HD13 LEU A 23 11.298 -0.477 12.236 1.00 0.00 H new ATOM 0 HD21 LEU A 23 8.998 0.950 13.706 1.00 0.00 H new ATOM 0 HD22 LEU A 23 9.718 1.540 12.189 1.00 0.00 H new ATOM 0 HD23 LEU A 23 7.965 1.252 12.289 1.00 0.00 H new ATOM 325 N VAL A 24 10.032 0.034 7.471 1.00 0.00 N ATOM 326 CA VAL A 24 10.339 -0.542 6.166 1.00 0.00 C ATOM 327 C VAL A 24 11.255 0.376 5.364 1.00 0.00 C ATOM 328 O VAL A 24 12.154 -0.088 4.662 1.00 0.00 O ATOM 329 CB VAL A 24 9.058 -0.808 5.354 1.00 0.00 C ATOM 330 CG1 VAL A 24 8.192 0.442 5.296 1.00 0.00 C ATOM 331 CG2 VAL A 24 9.405 -1.290 3.954 1.00 0.00 C ATOM 0 H VAL A 24 9.420 0.849 7.439 1.00 0.00 H new ATOM 0 HA VAL A 24 10.847 -1.489 6.349 1.00 0.00 H new ATOM 0 HB VAL A 24 8.489 -1.592 5.854 1.00 0.00 H new ATOM 0 HG11 VAL A 24 7.291 0.234 4.718 1.00 0.00 H new ATOM 0 HG12 VAL A 24 7.914 0.739 6.307 1.00 0.00 H new ATOM 0 HG13 VAL A 24 8.750 1.249 4.821 1.00 0.00 H new ATOM 0 HG21 VAL A 24 8.488 -1.473 3.394 1.00 0.00 H new ATOM 0 HG22 VAL A 24 9.996 -0.530 3.443 1.00 0.00 H new ATOM 0 HG23 VAL A 24 9.980 -2.213 4.019 1.00 0.00 H new ATOM 341 N ARG A 25 11.020 1.680 5.472 1.00 0.00 N ATOM 342 CA ARG A 25 11.824 2.663 4.756 1.00 0.00 C ATOM 343 C ARG A 25 13.255 2.684 5.285 1.00 0.00 C ATOM 344 O ARG A 25 14.200 2.934 4.536 1.00 0.00 O ATOM 345 CB ARG A 25 11.200 4.054 4.884 1.00 0.00 C ATOM 346 CG ARG A 25 12.224 5.171 5.000 1.00 0.00 C ATOM 347 CD ARG A 25 11.578 6.538 4.835 1.00 0.00 C ATOM 348 NE ARG A 25 12.550 7.563 4.465 1.00 0.00 N ATOM 349 CZ ARG A 25 13.290 8.226 5.345 1.00 0.00 C ATOM 350 NH1 ARG A 25 13.170 7.972 6.641 1.00 0.00 N ATOM 351 NH2 ARG A 25 14.154 9.144 4.932 1.00 0.00 N ATOM 0 H ARG A 25 10.280 2.080 6.048 1.00 0.00 H new ATOM 0 HA ARG A 25 11.849 2.379 3.704 1.00 0.00 H new ATOM 0 HB2 ARG A 25 10.568 4.241 4.016 1.00 0.00 H new ATOM 0 HB3 ARG A 25 10.552 4.073 5.761 1.00 0.00 H new ATOM 0 HG2 ARG A 25 12.717 5.115 5.971 1.00 0.00 H new ATOM 0 HG3 ARG A 25 12.996 5.038 4.242 1.00 0.00 H new ATOM 0 HD2 ARG A 25 10.802 6.482 4.072 1.00 0.00 H new ATOM 0 HD3 ARG A 25 11.089 6.822 5.767 1.00 0.00 H new ATOM 0 HE ARG A 25 12.667 7.782 3.476 1.00 0.00 H new ATOM 0 HH11 ARG A 25 12.508 7.266 6.963 1.00 0.00 H new ATOM 0 HH12 ARG A 25 13.740 8.483 7.316 1.00 0.00 H new ATOM 0 HH21 ARG A 25 14.251 9.342 3.936 1.00 0.00 H new ATOM 0 HH22 ARG A 25 14.721 9.652 5.610 1.00 0.00 H new ATOM 365 N ASP A 26 13.407 2.421 6.578 1.00 0.00 N ATOM 366 CA ASP A 26 14.723 2.409 7.207 1.00 0.00 C ATOM 367 C ASP A 26 15.588 1.291 6.635 1.00 0.00 C ATOM 368 O ASP A 26 15.110 0.450 5.874 1.00 0.00 O ATOM 369 CB ASP A 26 14.586 2.243 8.721 1.00 0.00 C ATOM 370 CG ASP A 26 15.919 2.340 9.437 1.00 0.00 C ATOM 371 OD1 ASP A 26 16.685 3.280 9.139 1.00 0.00 O ATOM 372 OD2 ASP A 26 16.197 1.475 10.294 1.00 0.00 O ATOM 0 H ASP A 26 12.635 2.213 7.212 1.00 0.00 H new ATOM 0 HA ASP A 26 15.208 3.362 6.997 1.00 0.00 H new ATOM 0 HB2 ASP A 26 13.913 3.008 9.108 1.00 0.00 H new ATOM 0 HB3 ASP A 26 14.130 1.277 8.938 1.00 0.00 H new ATOM 417 N VAL A 31 12.016 -5.480 8.716 1.00 0.00 N ATOM 418 CA VAL A 31 10.736 -5.265 8.053 1.00 0.00 C ATOM 419 C VAL A 31 10.931 -4.686 6.656 1.00 0.00 C ATOM 420 O VAL A 31 11.651 -3.704 6.476 1.00 0.00 O ATOM 421 CB VAL A 31 9.833 -4.321 8.867 1.00 0.00 C ATOM 422 CG1 VAL A 31 8.511 -4.094 8.149 1.00 0.00 C ATOM 423 CG2 VAL A 31 9.601 -4.879 10.264 1.00 0.00 C ATOM 0 HA VAL A 31 10.253 -6.239 7.975 1.00 0.00 H new ATOM 0 HB VAL A 31 10.336 -3.359 8.963 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.886 -3.424 8.740 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.699 -3.648 7.173 1.00 0.00 H new ATOM 0 HG13 VAL A 31 7.999 -5.047 8.019 1.00 0.00 H new ATOM 0 HG21 VAL A 31 8.961 -4.199 10.826 1.00 0.00 H new ATOM 0 HG22 VAL A 31 9.119 -5.854 10.191 1.00 0.00 H new ATOM 0 HG23 VAL A 31 10.557 -4.984 10.777 1.00 0.00 H new ATOM 433 N ILE A 32 10.284 -5.300 5.671 1.00 0.00 N ATOM 434 CA ILE A 32 10.385 -4.843 4.290 1.00 0.00 C ATOM 435 C ILE A 32 9.019 -4.451 3.740 1.00 0.00 C ATOM 436 O ILE A 32 8.922 -3.730 2.747 1.00 0.00 O ATOM 437 CB ILE A 32 11.001 -5.925 3.383 1.00 0.00 C ATOM 438 CG1 ILE A 32 9.973 -7.019 3.087 1.00 0.00 C ATOM 439 CG2 ILE A 32 12.242 -6.518 4.034 1.00 0.00 C ATOM 440 CD1 ILE A 32 10.360 -7.914 1.932 1.00 0.00 C ATOM 0 H ILE A 32 9.685 -6.115 5.803 1.00 0.00 H new ATOM 0 HA ILE A 32 11.037 -3.969 4.293 1.00 0.00 H new ATOM 0 HB ILE A 32 11.295 -5.464 2.440 1.00 0.00 H new ATOM 0 HG12 ILE A 32 9.837 -7.630 3.980 1.00 0.00 H new ATOM 0 HG13 ILE A 32 9.012 -6.554 2.869 1.00 0.00 H new ATOM 0 HG21 ILE A 32 12.666 -7.281 3.381 1.00 0.00 H new ATOM 0 HG22 ILE A 32 12.978 -5.731 4.198 1.00 0.00 H new ATOM 0 HG23 ILE A 32 11.972 -6.967 4.990 1.00 0.00 H new ATOM 0 HD11 ILE A 32 9.586 -8.666 1.779 1.00 0.00 H new ATOM 0 HD12 ILE A 32 10.468 -7.315 1.028 1.00 0.00 H new ATOM 0 HD13 ILE A 32 11.306 -8.408 2.155 1.00 0.00 H new ATOM 452 N TRP A 33 7.965 -4.930 4.392 1.00 0.00 N ATOM 453 CA TRP A 33 6.603 -4.629 3.968 1.00 0.00 C ATOM 454 C TRP A 33 5.725 -4.279 5.165 1.00 0.00 C ATOM 455 O TRP A 33 5.895 -4.829 6.254 1.00 0.00 O ATOM 456 CB TRP A 33 6.006 -5.817 3.212 1.00 0.00 C ATOM 457 CG TRP A 33 5.869 -7.048 4.056 1.00 0.00 C ATOM 458 CD1 TRP A 33 6.683 -8.145 4.043 1.00 0.00 C ATOM 459 CD2 TRP A 33 4.857 -7.309 5.033 1.00 0.00 C ATOM 460 NE1 TRP A 33 6.237 -9.072 4.955 1.00 0.00 N ATOM 461 CE2 TRP A 33 5.118 -8.582 5.576 1.00 0.00 C ATOM 462 CE3 TRP A 33 3.755 -6.590 5.506 1.00 0.00 C ATOM 463 CZ2 TRP A 33 4.318 -9.150 6.564 1.00 0.00 C ATOM 464 CZ3 TRP A 33 2.962 -7.155 6.486 1.00 0.00 C ATOM 465 CH2 TRP A 33 3.246 -8.424 7.007 1.00 0.00 C ATOM 0 H TRP A 33 8.028 -5.528 5.216 1.00 0.00 H new ATOM 0 HA TRP A 33 6.639 -3.766 3.303 1.00 0.00 H new ATOM 0 HB2 TRP A 33 5.025 -5.538 2.827 1.00 0.00 H new ATOM 0 HB3 TRP A 33 6.634 -6.043 2.351 1.00 0.00 H new ATOM 0 HD1 TRP A 33 7.549 -8.266 3.410 1.00 0.00 H new ATOM 0 HE1 TRP A 33 6.669 -9.977 5.139 1.00 0.00 H new ATOM 0 HE3 TRP A 33 3.528 -5.610 5.112 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 4.536 -10.128 6.966 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 2.108 -6.608 6.857 1.00 0.00 H new ATOM 0 HH2 TRP A 33 2.607 -8.837 7.773 1.00 0.00 H new ATOM 476 N VAL A 34 4.784 -3.363 4.957 1.00 0.00 N ATOM 477 CA VAL A 34 3.879 -2.942 6.019 1.00 0.00 C ATOM 478 C VAL A 34 2.492 -2.632 5.468 1.00 0.00 C ATOM 479 O VAL A 34 2.339 -1.809 4.566 1.00 0.00 O ATOM 480 CB VAL A 34 4.417 -1.700 6.755 1.00 0.00 C ATOM 481 CG1 VAL A 34 5.668 -2.047 7.546 1.00 0.00 C ATOM 482 CG2 VAL A 34 4.693 -0.576 5.768 1.00 0.00 C ATOM 0 H VAL A 34 4.629 -2.899 4.062 1.00 0.00 H new ATOM 0 HA VAL A 34 3.810 -3.771 6.723 1.00 0.00 H new ATOM 0 HB VAL A 34 3.658 -1.357 7.458 1.00 0.00 H new ATOM 0 HG11 VAL A 34 6.033 -1.157 8.059 1.00 0.00 H new ATOM 0 HG12 VAL A 34 5.432 -2.818 8.280 1.00 0.00 H new ATOM 0 HG13 VAL A 34 6.437 -2.416 6.867 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.072 0.294 6.304 1.00 0.00 H new ATOM 0 HG22 VAL A 34 5.434 -0.905 5.040 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.770 -0.310 5.252 1.00 0.00 H new ATOM 492 N THR A 35 1.481 -3.298 6.018 1.00 0.00 N ATOM 493 CA THR A 35 0.105 -3.095 5.582 1.00 0.00 C ATOM 494 C THR A 35 -0.614 -2.093 6.478 1.00 0.00 C ATOM 495 O THR A 35 -0.259 -1.922 7.645 1.00 0.00 O ATOM 496 CB THR A 35 -0.684 -4.419 5.577 1.00 0.00 C ATOM 497 OG1 THR A 35 -0.392 -5.168 6.761 1.00 0.00 O ATOM 498 CG2 THR A 35 -0.339 -5.248 4.348 1.00 0.00 C ATOM 0 H THR A 35 1.590 -3.983 6.766 1.00 0.00 H new ATOM 0 HA THR A 35 0.151 -2.703 4.566 1.00 0.00 H new ATOM 0 HB THR A 35 -1.748 -4.183 5.551 1.00 0.00 H new ATOM 0 HG1 THR A 35 0.499 -5.569 6.683 1.00 0.00 H new ATOM 0 HG21 THR A 35 -0.907 -6.178 4.365 1.00 0.00 H new ATOM 0 HG22 THR A 35 -0.589 -4.686 3.448 1.00 0.00 H new ATOM 0 HG23 THR A 35 0.727 -5.474 4.349 1.00 0.00 H new ATOM 506 N PHE A 36 -1.625 -1.432 5.925 1.00 0.00 N ATOM 507 CA PHE A 36 -2.394 -0.445 6.675 1.00 0.00 C ATOM 508 C PHE A 36 -3.893 -0.690 6.519 1.00 0.00 C ATOM 509 O PHE A 36 -4.506 -0.250 5.547 1.00 0.00 O ATOM 510 CB PHE A 36 -2.046 0.968 6.205 1.00 0.00 C ATOM 511 CG PHE A 36 -0.570 1.250 6.192 1.00 0.00 C ATOM 512 CD1 PHE A 36 0.197 0.946 5.079 1.00 0.00 C ATOM 513 CD2 PHE A 36 0.049 1.818 7.294 1.00 0.00 C ATOM 514 CE1 PHE A 36 1.555 1.202 5.066 1.00 0.00 C ATOM 515 CE2 PHE A 36 1.407 2.078 7.286 1.00 0.00 C ATOM 516 CZ PHE A 36 2.160 1.770 6.170 1.00 0.00 C ATOM 0 H PHE A 36 -1.931 -1.561 4.961 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.135 -0.544 7.729 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.445 1.117 5.202 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.540 1.690 6.855 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.272 0.504 4.212 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -0.536 2.060 8.169 1.00 0.00 H new ATOM 0 HE1 PHE A 36 2.143 0.958 4.193 1.00 0.00 H new ATOM 0 HE2 PHE A 36 1.878 2.521 8.151 1.00 0.00 H new ATOM 0 HZ PHE A 36 3.221 1.973 6.161 1.00 0.00 H new ATOM 526 N ARG A 37 -4.473 -1.396 7.483 1.00 0.00 N ATOM 527 CA ARG A 37 -5.899 -1.702 7.452 1.00 0.00 C ATOM 528 C ARG A 37 -6.689 -0.693 8.280 1.00 0.00 C ATOM 529 O ARG A 37 -6.112 0.168 8.946 1.00 0.00 O ATOM 530 CB ARG A 37 -6.150 -3.117 7.978 1.00 0.00 C ATOM 531 CG ARG A 37 -5.683 -3.326 9.409 1.00 0.00 C ATOM 532 CD ARG A 37 -5.377 -4.790 9.686 1.00 0.00 C ATOM 533 NE ARG A 37 -5.439 -5.102 11.111 1.00 0.00 N ATOM 534 CZ ARG A 37 -4.796 -6.122 11.669 1.00 0.00 C ATOM 535 NH1 ARG A 37 -4.045 -6.923 10.926 1.00 0.00 N ATOM 536 NH2 ARG A 37 -4.902 -6.340 12.973 1.00 0.00 N ATOM 0 H ARG A 37 -3.979 -1.767 8.295 1.00 0.00 H new ATOM 0 HA ARG A 37 -6.236 -1.641 6.417 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -7.216 -3.334 7.917 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -5.642 -3.832 7.331 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -4.792 -2.726 9.594 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -6.452 -2.977 10.099 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -6.087 -5.417 9.146 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -4.385 -5.031 9.305 1.00 0.00 H new ATOM 0 HE ARG A 37 -6.007 -4.504 11.711 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -3.960 -6.757 9.923 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -3.552 -7.705 11.357 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -5.477 -5.724 13.548 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -4.408 -7.123 13.401 1.00 0.00 H new ATOM 550 N TYR A 38 -8.012 -0.804 8.233 1.00 0.00 N ATOM 551 CA TYR A 38 -8.882 0.100 8.976 1.00 0.00 C ATOM 552 C TYR A 38 -9.356 -0.544 10.274 1.00 0.00 C ATOM 553 O TYR A 38 -9.575 -1.754 10.337 1.00 0.00 O ATOM 554 CB TYR A 38 -10.087 0.500 8.122 1.00 0.00 C ATOM 555 CG TYR A 38 -9.712 1.210 6.841 1.00 0.00 C ATOM 556 CD1 TYR A 38 -9.351 0.493 5.706 1.00 0.00 C ATOM 557 CD2 TYR A 38 -9.717 2.597 6.765 1.00 0.00 C ATOM 558 CE1 TYR A 38 -9.007 1.137 4.534 1.00 0.00 C ATOM 559 CE2 TYR A 38 -9.376 3.250 5.596 1.00 0.00 C ATOM 560 CZ TYR A 38 -9.022 2.516 4.483 1.00 0.00 C ATOM 561 OH TYR A 38 -8.680 3.162 3.318 1.00 0.00 O ATOM 0 H TYR A 38 -8.505 -1.511 7.688 1.00 0.00 H new ATOM 0 HA TYR A 38 -8.308 0.993 9.223 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -10.661 -0.394 7.878 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -10.739 1.147 8.709 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -9.339 -0.586 5.742 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -9.992 3.175 7.635 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -8.728 0.565 3.662 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -9.387 4.329 5.554 1.00 0.00 H new ATOM 0 HH TYR A 38 -8.231 2.533 2.715 1.00 0.00 H new ATOM 571 N ASP A 39 -9.513 0.273 11.311 1.00 0.00 N ATOM 572 CA ASP A 39 -9.963 -0.215 12.608 1.00 0.00 C ATOM 573 C ASP A 39 -11.267 0.461 13.021 1.00 0.00 C ATOM 574 O ASP A 39 -11.678 0.387 14.178 1.00 0.00 O ATOM 575 CB ASP A 39 -8.890 0.030 13.670 1.00 0.00 C ATOM 576 CG ASP A 39 -8.935 -0.995 14.786 1.00 0.00 C ATOM 577 OD1 ASP A 39 -9.993 -1.633 14.962 1.00 0.00 O ATOM 578 OD2 ASP A 39 -7.913 -1.157 15.485 1.00 0.00 O ATOM 0 H ASP A 39 -9.335 1.277 11.277 1.00 0.00 H new ATOM 0 HA ASP A 39 -10.141 -1.287 12.522 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -7.907 0.008 13.200 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -9.020 1.027 14.091 1.00 0.00 H new ATOM 583 N GLY A 40 -11.915 1.120 12.065 1.00 0.00 N ATOM 584 CA GLY A 40 -13.165 1.801 12.349 1.00 0.00 C ATOM 585 C GLY A 40 -13.119 3.272 11.984 1.00 0.00 C ATOM 586 O GLY A 40 -13.087 4.134 12.861 1.00 0.00 O ATOM 0 H GLY A 40 -11.597 1.194 11.099 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -13.972 1.318 11.798 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -13.398 1.700 13.409 1.00 0.00 H new ATOM 590 N ALA A 41 -13.117 3.558 10.687 1.00 0.00 N ATOM 591 CA ALA A 41 -13.076 4.935 10.209 1.00 0.00 C ATOM 592 C ALA A 41 -11.726 5.579 10.506 1.00 0.00 C ATOM 593 O ALA A 41 -11.617 6.802 10.599 1.00 0.00 O ATOM 594 CB ALA A 41 -14.200 5.746 10.837 1.00 0.00 C ATOM 0 H ALA A 41 -13.143 2.855 9.948 1.00 0.00 H new ATOM 0 HA ALA A 41 -13.213 4.922 9.128 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -14.157 6.772 10.471 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -15.160 5.305 10.569 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -14.089 5.743 11.921 1.00 0.00 H new ATOM 600 N THR A 42 -10.698 4.749 10.657 1.00 0.00 N ATOM 601 CA THR A 42 -9.356 5.237 10.946 1.00 0.00 C ATOM 602 C THR A 42 -8.297 4.257 10.455 1.00 0.00 C ATOM 603 O THR A 42 -8.190 3.140 10.961 1.00 0.00 O ATOM 604 CB THR A 42 -9.159 5.478 12.454 1.00 0.00 C ATOM 605 OG1 THR A 42 -10.332 6.079 13.012 1.00 0.00 O ATOM 606 CG2 THR A 42 -7.955 6.373 12.707 1.00 0.00 C ATOM 0 H THR A 42 -10.770 3.734 10.584 1.00 0.00 H new ATOM 0 HA THR A 42 -9.243 6.183 10.417 1.00 0.00 H new ATOM 0 HB THR A 42 -8.982 4.515 12.933 1.00 0.00 H new ATOM 0 HG1 THR A 42 -10.199 6.227 13.971 1.00 0.00 H new ATOM 0 HG21 THR A 42 -7.836 6.529 13.779 1.00 0.00 H new ATOM 0 HG22 THR A 42 -7.059 5.898 12.308 1.00 0.00 H new ATOM 0 HG23 THR A 42 -8.106 7.334 12.215 1.00 0.00 H new ATOM 614 N ILE A 43 -7.515 4.682 9.468 1.00 0.00 N ATOM 615 CA ILE A 43 -6.464 3.841 8.912 1.00 0.00 C ATOM 616 C ILE A 43 -5.337 3.632 9.918 1.00 0.00 C ATOM 617 O ILE A 43 -4.780 4.592 10.452 1.00 0.00 O ATOM 618 CB ILE A 43 -5.879 4.451 7.623 1.00 0.00 C ATOM 619 CG1 ILE A 43 -6.985 4.670 6.589 1.00 0.00 C ATOM 620 CG2 ILE A 43 -4.791 3.550 7.059 1.00 0.00 C ATOM 621 CD1 ILE A 43 -6.698 5.803 5.629 1.00 0.00 C ATOM 0 H ILE A 43 -7.590 5.604 9.038 1.00 0.00 H new ATOM 0 HA ILE A 43 -6.920 2.880 8.676 1.00 0.00 H new ATOM 0 HB ILE A 43 -5.436 5.417 7.864 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -7.128 3.751 6.021 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -7.922 4.873 7.108 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -4.387 3.993 6.149 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -3.993 3.439 7.794 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -5.212 2.571 6.830 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -7.524 5.901 4.924 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -6.585 6.733 6.187 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -5.778 5.593 5.083 1.00 0.00 H new ATOM 633 N VAL A 44 -5.004 2.371 10.172 1.00 0.00 N ATOM 634 CA VAL A 44 -3.942 2.034 11.112 1.00 0.00 C ATOM 635 C VAL A 44 -3.100 0.872 10.597 1.00 0.00 C ATOM 636 O VAL A 44 -3.582 -0.009 9.885 1.00 0.00 O ATOM 637 CB VAL A 44 -4.512 1.667 12.495 1.00 0.00 C ATOM 638 CG1 VAL A 44 -5.298 2.832 13.076 1.00 0.00 C ATOM 639 CG2 VAL A 44 -5.381 0.422 12.399 1.00 0.00 C ATOM 0 H VAL A 44 -5.455 1.565 9.739 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.313 2.919 11.209 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.680 1.452 13.166 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.693 2.553 14.053 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -4.642 3.696 13.183 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -6.123 3.083 12.409 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.776 0.177 13.385 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.208 0.607 11.713 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.783 -0.411 12.030 1.00 0.00 H new ATOM 649 N PRO A 45 -1.811 0.868 10.964 1.00 0.00 N ATOM 650 CA PRO A 45 -0.872 -0.180 10.552 1.00 0.00 C ATOM 651 C PRO A 45 -1.395 -1.579 10.857 1.00 0.00 C ATOM 652 O PRO A 45 -1.557 -1.953 12.018 1.00 0.00 O ATOM 653 CB PRO A 45 0.379 0.115 11.384 1.00 0.00 C ATOM 654 CG PRO A 45 0.297 1.571 11.686 1.00 0.00 C ATOM 655 CD PRO A 45 -1.167 1.887 11.812 1.00 0.00 C ATOM 0 HA PRO A 45 -0.697 -0.169 9.476 1.00 0.00 H new ATOM 0 HB2 PRO A 45 0.396 -0.479 12.298 1.00 0.00 H new ATOM 0 HB3 PRO A 45 1.288 -0.124 10.832 1.00 0.00 H new ATOM 0 HG2 PRO A 45 0.828 1.809 12.608 1.00 0.00 H new ATOM 0 HG3 PRO A 45 0.756 2.160 10.892 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -1.505 1.821 12.846 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -1.391 2.897 11.467 1.00 0.00 H new ATOM 663 N GLY A 46 -1.658 -2.349 9.805 1.00 0.00 N ATOM 664 CA GLY A 46 -2.161 -3.699 9.982 1.00 0.00 C ATOM 665 C GLY A 46 -1.059 -4.692 10.292 1.00 0.00 C ATOM 666 O GLY A 46 -0.569 -4.755 11.419 1.00 0.00 O ATOM 0 H GLY A 46 -1.532 -2.062 8.834 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.892 -3.708 10.791 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.683 -4.011 9.077 1.00 0.00 H new ATOM 670 N ASP A 47 -0.668 -5.471 9.289 1.00 0.00 N ATOM 671 CA ASP A 47 0.382 -6.468 9.460 1.00 0.00 C ATOM 672 C ASP A 47 1.756 -5.857 9.203 1.00 0.00 C ATOM 673 O ASP A 47 1.866 -4.755 8.668 1.00 0.00 O ATOM 674 CB ASP A 47 0.152 -7.650 8.517 1.00 0.00 C ATOM 675 CG ASP A 47 -1.229 -8.255 8.675 1.00 0.00 C ATOM 676 OD1 ASP A 47 -2.160 -7.795 7.980 1.00 0.00 O ATOM 677 OD2 ASP A 47 -1.381 -9.188 9.492 1.00 0.00 O ATOM 0 H ASP A 47 -1.063 -5.431 8.349 1.00 0.00 H new ATOM 0 HA ASP A 47 0.348 -6.824 10.490 1.00 0.00 H new ATOM 0 HB2 ASP A 47 0.286 -7.321 7.487 1.00 0.00 H new ATOM 0 HB3 ASP A 47 0.905 -8.415 8.707 1.00 0.00 H new ATOM 682 N GLN A 48 2.802 -6.582 9.590 1.00 0.00 N ATOM 683 CA GLN A 48 4.168 -6.110 9.402 1.00 0.00 C ATOM 684 C GLN A 48 5.159 -7.268 9.473 1.00 0.00 C ATOM 685 O GLN A 48 5.015 -8.171 10.295 1.00 0.00 O ATOM 686 CB GLN A 48 4.517 -5.060 10.458 1.00 0.00 C ATOM 687 CG GLN A 48 5.924 -4.499 10.319 1.00 0.00 C ATOM 688 CD GLN A 48 6.346 -3.676 11.519 1.00 0.00 C ATOM 689 OE1 GLN A 48 7.253 -4.056 12.260 1.00 0.00 O ATOM 690 NE2 GLN A 48 5.688 -2.539 11.718 1.00 0.00 N ATOM 0 H GLN A 48 2.729 -7.497 10.035 1.00 0.00 H new ATOM 0 HA GLN A 48 4.236 -5.657 8.413 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.801 -4.241 10.394 1.00 0.00 H new ATOM 0 HB3 GLN A 48 4.408 -5.503 11.448 1.00 0.00 H new ATOM 0 HG2 GLN A 48 6.627 -5.321 10.182 1.00 0.00 H new ATOM 0 HG3 GLN A 48 5.978 -3.881 9.423 1.00 0.00 H new ATOM 0 HE21 GLN A 48 4.943 -2.262 11.079 1.00 0.00 H new ATOM 0 HE22 GLN A 48 5.928 -1.943 12.510 1.00 0.00 H new ATOM 699 N GLY A 49 6.165 -7.233 8.604 1.00 0.00 N ATOM 700 CA GLY A 49 7.164 -8.286 8.585 1.00 0.00 C ATOM 701 C GLY A 49 8.135 -8.143 7.429 1.00 0.00 C ATOM 702 O GLY A 49 7.987 -7.252 6.593 1.00 0.00 O ATOM 0 H GLY A 49 6.306 -6.495 7.914 1.00 0.00 H new ATOM 0 HA2 GLY A 49 7.717 -8.275 9.524 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.666 -9.254 8.520 1.00 0.00 H new ATOM 706 N ALA A 50 9.131 -9.021 7.383 1.00 0.00 N ATOM 707 CA ALA A 50 10.129 -8.988 6.321 1.00 0.00 C ATOM 708 C ALA A 50 9.788 -9.982 5.216 1.00 0.00 C ATOM 709 O ALA A 50 10.187 -9.806 4.065 1.00 0.00 O ATOM 710 CB ALA A 50 11.511 -9.279 6.887 1.00 0.00 C ATOM 0 H ALA A 50 9.268 -9.764 8.068 1.00 0.00 H new ATOM 0 HA ALA A 50 10.129 -7.988 5.887 1.00 0.00 H new ATOM 0 HB1 ALA A 50 12.247 -9.251 6.083 1.00 0.00 H new ATOM 0 HB2 ALA A 50 11.763 -8.528 7.636 1.00 0.00 H new ATOM 0 HB3 ALA A 50 11.515 -10.267 7.348 1.00 0.00 H new ATOM 716 N ASP A 51 9.048 -11.026 5.574 1.00 0.00 N ATOM 717 CA ASP A 51 8.653 -12.049 4.612 1.00 0.00 C ATOM 718 C ASP A 51 7.462 -11.580 3.779 1.00 0.00 C ATOM 719 O ASP A 51 6.331 -11.543 4.263 1.00 0.00 O ATOM 720 CB ASP A 51 8.305 -13.351 5.333 1.00 0.00 C ATOM 721 CG ASP A 51 8.431 -14.563 4.432 1.00 0.00 C ATOM 722 OD1 ASP A 51 8.361 -14.394 3.197 1.00 0.00 O ATOM 723 OD2 ASP A 51 8.596 -15.682 4.961 1.00 0.00 O ATOM 0 H ASP A 51 8.710 -11.186 6.523 1.00 0.00 H new ATOM 0 HA ASP A 51 9.495 -12.228 3.943 1.00 0.00 H new ATOM 0 HB2 ASP A 51 8.962 -13.473 6.195 1.00 0.00 H new ATOM 0 HB3 ASP A 51 7.286 -13.290 5.715 1.00 0.00 H new ATOM 728 N TYR A 52 7.727 -11.224 2.527 1.00 0.00 N ATOM 729 CA TYR A 52 6.678 -10.756 1.629 1.00 0.00 C ATOM 730 C TYR A 52 5.543 -11.770 1.540 1.00 0.00 C ATOM 731 O TYR A 52 4.394 -11.411 1.283 1.00 0.00 O ATOM 732 CB TYR A 52 7.252 -10.491 0.236 1.00 0.00 C ATOM 733 CG TYR A 52 6.407 -9.557 -0.600 1.00 0.00 C ATOM 734 CD1 TYR A 52 5.183 -9.967 -1.114 1.00 0.00 C ATOM 735 CD2 TYR A 52 6.831 -8.262 -0.874 1.00 0.00 C ATOM 736 CE1 TYR A 52 4.407 -9.117 -1.879 1.00 0.00 C ATOM 737 CE2 TYR A 52 6.062 -7.404 -1.636 1.00 0.00 C ATOM 738 CZ TYR A 52 4.852 -7.836 -2.137 1.00 0.00 C ATOM 739 OH TYR A 52 4.082 -6.986 -2.897 1.00 0.00 O ATOM 0 H TYR A 52 8.658 -11.251 2.111 1.00 0.00 H new ATOM 0 HA TYR A 52 6.277 -9.826 2.033 1.00 0.00 H new ATOM 0 HB2 TYR A 52 8.252 -10.069 0.339 1.00 0.00 H new ATOM 0 HB3 TYR A 52 7.359 -11.440 -0.290 1.00 0.00 H new ATOM 0 HD1 TYR A 52 4.832 -10.968 -0.912 1.00 0.00 H new ATOM 0 HD2 TYR A 52 7.779 -7.920 -0.484 1.00 0.00 H new ATOM 0 HE1 TYR A 52 3.459 -9.453 -2.272 1.00 0.00 H new ATOM 0 HE2 TYR A 52 6.406 -6.401 -1.838 1.00 0.00 H new ATOM 0 HH TYR A 52 3.546 -7.508 -3.530 1.00 0.00 H new ATOM 749 N GLN A 53 5.874 -13.039 1.756 1.00 0.00 N ATOM 750 CA GLN A 53 4.883 -14.107 1.700 1.00 0.00 C ATOM 751 C GLN A 53 3.876 -13.975 2.837 1.00 0.00 C ATOM 752 O GLN A 53 2.774 -14.522 2.772 1.00 0.00 O ATOM 753 CB GLN A 53 5.570 -15.473 1.767 1.00 0.00 C ATOM 754 CG GLN A 53 6.395 -15.800 0.534 1.00 0.00 C ATOM 755 CD GLN A 53 5.551 -15.919 -0.720 1.00 0.00 C ATOM 756 OE1 GLN A 53 4.827 -16.898 -0.905 1.00 0.00 O ATOM 757 NE2 GLN A 53 5.637 -14.919 -1.590 1.00 0.00 N ATOM 0 H GLN A 53 6.820 -13.352 1.971 1.00 0.00 H new ATOM 0 HA GLN A 53 4.348 -14.023 0.754 1.00 0.00 H new ATOM 0 HB2 GLN A 53 6.216 -15.503 2.644 1.00 0.00 H new ATOM 0 HB3 GLN A 53 4.813 -16.245 1.902 1.00 0.00 H new ATOM 0 HG2 GLN A 53 7.147 -15.024 0.389 1.00 0.00 H new ATOM 0 HG3 GLN A 53 6.930 -16.736 0.697 1.00 0.00 H new ATOM 0 HE21 GLN A 53 6.250 -14.127 -1.397 1.00 0.00 H new ATOM 0 HE22 GLN A 53 5.090 -14.944 -2.451 1.00 0.00 H new ATOM 766 N HIS A 54 4.260 -13.246 3.880 1.00 0.00 N ATOM 767 CA HIS A 54 3.390 -13.041 5.032 1.00 0.00 C ATOM 768 C HIS A 54 2.385 -11.925 4.763 1.00 0.00 C ATOM 769 O HIS A 54 1.301 -11.899 5.346 1.00 0.00 O ATOM 770 CB HIS A 54 4.221 -12.708 6.273 1.00 0.00 C ATOM 771 CG HIS A 54 4.627 -13.914 7.063 1.00 0.00 C ATOM 772 ND1 HIS A 54 5.100 -13.841 8.356 1.00 0.00 N ATOM 773 CD2 HIS A 54 4.625 -15.227 6.738 1.00 0.00 C ATOM 774 CE1 HIS A 54 5.376 -15.057 8.791 1.00 0.00 C ATOM 775 NE2 HIS A 54 5.095 -15.918 7.829 1.00 0.00 N ATOM 0 H HIS A 54 5.168 -12.787 3.951 1.00 0.00 H new ATOM 0 HA HIS A 54 2.840 -13.965 5.210 1.00 0.00 H new ATOM 0 HB2 HIS A 54 5.116 -12.166 5.966 1.00 0.00 H new ATOM 0 HB3 HIS A 54 3.648 -12.039 6.915 1.00 0.00 H new ATOM 0 HD2 HIS A 54 4.312 -15.653 5.796 1.00 0.00 H new ATOM 0 HE1 HIS A 54 5.765 -15.305 9.767 1.00 0.00 H new ATOM 0 HE2 HIS A 54 5.208 -16.930 7.887 1.00 0.00 H new ATOM 784 N PHE A 55 2.755 -11.005 3.880 1.00 0.00 N ATOM 785 CA PHE A 55 1.886 -9.885 3.535 1.00 0.00 C ATOM 786 C PHE A 55 0.783 -10.325 2.578 1.00 0.00 C ATOM 787 O PHE A 55 -0.370 -9.916 2.712 1.00 0.00 O ATOM 788 CB PHE A 55 2.701 -8.754 2.905 1.00 0.00 C ATOM 789 CG PHE A 55 1.977 -8.032 1.806 1.00 0.00 C ATOM 790 CD1 PHE A 55 0.903 -7.204 2.094 1.00 0.00 C ATOM 791 CD2 PHE A 55 2.368 -8.180 0.485 1.00 0.00 C ATOM 792 CE1 PHE A 55 0.234 -6.539 1.084 1.00 0.00 C ATOM 793 CE2 PHE A 55 1.703 -7.517 -0.529 1.00 0.00 C ATOM 794 CZ PHE A 55 0.634 -6.695 -0.229 1.00 0.00 C ATOM 0 H PHE A 55 3.650 -11.012 3.390 1.00 0.00 H new ATOM 0 HA PHE A 55 1.423 -9.523 4.453 1.00 0.00 H new ATOM 0 HB2 PHE A 55 2.974 -8.038 3.681 1.00 0.00 H new ATOM 0 HB3 PHE A 55 3.630 -9.164 2.509 1.00 0.00 H new ATOM 0 HD1 PHE A 55 0.586 -7.077 3.119 1.00 0.00 H new ATOM 0 HD2 PHE A 55 3.203 -8.822 0.245 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -0.602 -5.897 1.321 1.00 0.00 H new ATOM 0 HE2 PHE A 55 2.019 -7.641 -1.554 1.00 0.00 H new ATOM 0 HZ PHE A 55 0.112 -6.176 -1.019 1.00 0.00 H new ATOM 804 N ILE A 56 1.147 -11.163 1.613 1.00 0.00 N ATOM 805 CA ILE A 56 0.189 -11.660 0.632 1.00 0.00 C ATOM 806 C ILE A 56 -0.819 -12.604 1.279 1.00 0.00 C ATOM 807 O ILE A 56 -1.884 -12.868 0.721 1.00 0.00 O ATOM 808 CB ILE A 56 0.895 -12.396 -0.522 1.00 0.00 C ATOM 809 CG1 ILE A 56 1.842 -11.444 -1.258 1.00 0.00 C ATOM 810 CG2 ILE A 56 -0.129 -12.980 -1.483 1.00 0.00 C ATOM 811 CD1 ILE A 56 2.753 -12.142 -2.242 1.00 0.00 C ATOM 0 H ILE A 56 2.097 -11.512 1.489 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.333 -10.791 0.232 1.00 0.00 H new ATOM 0 HB ILE A 56 1.482 -13.215 -0.106 1.00 0.00 H new ATOM 0 HG12 ILE A 56 1.253 -10.696 -1.788 1.00 0.00 H new ATOM 0 HG13 ILE A 56 2.450 -10.911 -0.527 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.386 -13.497 -2.293 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.767 -13.685 -0.950 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.740 -12.177 -1.895 1.00 0.00 H new ATOM 0 HD11 ILE A 56 3.396 -11.407 -2.727 1.00 0.00 H new ATOM 0 HD12 ILE A 56 3.368 -12.871 -1.714 1.00 0.00 H new ATOM 0 HD13 ILE A 56 2.152 -12.652 -2.995 1.00 0.00 H new ATOM 823 N GLN A 57 -0.477 -13.107 2.461 1.00 0.00 N ATOM 824 CA GLN A 57 -1.353 -14.020 3.185 1.00 0.00 C ATOM 825 C GLN A 57 -2.392 -13.251 3.994 1.00 0.00 C ATOM 826 O GLN A 57 -3.185 -13.843 4.727 1.00 0.00 O ATOM 827 CB GLN A 57 -0.534 -14.921 4.110 1.00 0.00 C ATOM 828 CG GLN A 57 0.081 -16.119 3.405 1.00 0.00 C ATOM 829 CD GLN A 57 -0.873 -16.772 2.423 1.00 0.00 C ATOM 830 OE1 GLN A 57 -1.633 -17.670 2.783 1.00 0.00 O ATOM 831 NE2 GLN A 57 -0.836 -16.321 1.175 1.00 0.00 N ATOM 0 H GLN A 57 0.400 -12.898 2.937 1.00 0.00 H new ATOM 0 HA GLN A 57 -1.874 -14.639 2.454 1.00 0.00 H new ATOM 0 HB2 GLN A 57 0.261 -14.332 4.567 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -1.174 -15.275 4.919 1.00 0.00 H new ATOM 0 HG2 GLN A 57 0.980 -15.802 2.876 1.00 0.00 H new ATOM 0 HG3 GLN A 57 0.390 -16.854 4.148 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -0.189 -15.574 0.922 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -1.454 -16.721 0.470 1.00 0.00 H new ATOM 840 N GLN A 58 -2.384 -11.930 3.856 1.00 0.00 N ATOM 841 CA GLN A 58 -3.325 -11.080 4.575 1.00 0.00 C ATOM 842 C GLN A 58 -4.332 -10.451 3.618 1.00 0.00 C ATOM 843 O GLN A 58 -5.433 -10.073 4.020 1.00 0.00 O ATOM 844 CB GLN A 58 -2.576 -9.985 5.338 1.00 0.00 C ATOM 845 CG GLN A 58 -1.224 -10.431 5.871 1.00 0.00 C ATOM 846 CD GLN A 58 -1.329 -11.149 7.201 1.00 0.00 C ATOM 847 OE1 GLN A 58 -2.317 -11.006 7.921 1.00 0.00 O ATOM 848 NE2 GLN A 58 -0.308 -11.931 7.534 1.00 0.00 N ATOM 0 H GLN A 58 -1.736 -11.424 3.252 1.00 0.00 H new ATOM 0 HA GLN A 58 -3.868 -11.703 5.286 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.433 -9.128 4.680 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -3.192 -9.648 6.171 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -0.750 -11.090 5.143 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -0.577 -9.561 5.982 1.00 0.00 H new ATOM 0 HE21 GLN A 58 0.491 -12.021 6.907 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -0.324 -12.442 8.417 1.00 0.00 H new ATOM 857 N CYS A 59 -3.949 -10.342 2.351 1.00 0.00 N ATOM 858 CA CYS A 59 -4.818 -9.758 1.336 1.00 0.00 C ATOM 859 C CYS A 59 -5.783 -10.801 0.782 1.00 0.00 C ATOM 860 O CYS A 59 -5.366 -11.792 0.182 1.00 0.00 O ATOM 861 CB CYS A 59 -3.983 -9.163 0.201 1.00 0.00 C ATOM 862 SG CYS A 59 -2.754 -7.954 0.744 1.00 0.00 S ATOM 0 H CYS A 59 -3.042 -10.651 2.002 1.00 0.00 H new ATOM 0 HA CYS A 59 -5.400 -8.964 1.804 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -3.474 -9.972 -0.324 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -4.652 -8.688 -0.517 1.00 0.00 H new ATOM 0 HG CYS A 59 -1.575 -8.321 0.337 1.00 0.00 H new ATOM 868 N THR A 60 -7.077 -10.570 0.987 1.00 0.00 N ATOM 869 CA THR A 60 -8.102 -11.491 0.510 1.00 0.00 C ATOM 870 C THR A 60 -9.168 -10.757 -0.295 1.00 0.00 C ATOM 871 O THR A 60 -9.101 -9.539 -0.466 1.00 0.00 O ATOM 872 CB THR A 60 -8.776 -12.233 1.678 1.00 0.00 C ATOM 873 OG1 THR A 60 -9.715 -11.370 2.330 1.00 0.00 O ATOM 874 CG2 THR A 60 -7.742 -12.715 2.684 1.00 0.00 C ATOM 0 H THR A 60 -7.439 -9.754 1.480 1.00 0.00 H new ATOM 0 HA THR A 60 -7.602 -12.217 -0.132 1.00 0.00 H new ATOM 0 HB THR A 60 -9.298 -13.100 1.274 1.00 0.00 H new ATOM 0 HG1 THR A 60 -10.141 -11.850 3.071 1.00 0.00 H new ATOM 0 HG21 THR A 60 -8.243 -13.236 3.500 1.00 0.00 H new ATOM 0 HG22 THR A 60 -7.046 -13.395 2.193 1.00 0.00 H new ATOM 0 HG23 THR A 60 -7.195 -11.860 3.082 1.00 0.00 H new ATOM 882 N ASP A 61 -10.150 -11.504 -0.787 1.00 0.00 N ATOM 883 CA ASP A 61 -11.233 -10.923 -1.572 1.00 0.00 C ATOM 884 C ASP A 61 -12.326 -10.368 -0.665 1.00 0.00 C ATOM 885 O ASP A 61 -13.364 -9.906 -1.138 1.00 0.00 O ATOM 886 CB ASP A 61 -11.821 -11.969 -2.520 1.00 0.00 C ATOM 887 CG ASP A 61 -10.751 -12.765 -3.241 1.00 0.00 C ATOM 888 OD1 ASP A 61 -10.068 -12.188 -4.114 1.00 0.00 O ATOM 889 OD2 ASP A 61 -10.595 -13.964 -2.932 1.00 0.00 O ATOM 0 H ASP A 61 -10.218 -12.513 -0.656 1.00 0.00 H new ATOM 0 HA ASP A 61 -10.823 -10.101 -2.159 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -12.457 -12.650 -1.955 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -12.457 -11.473 -3.254 1.00 0.00 H new ATOM 894 N ASP A 62 -12.086 -10.419 0.641 1.00 0.00 N ATOM 895 CA ASP A 62 -13.050 -9.922 1.615 1.00 0.00 C ATOM 896 C ASP A 62 -12.416 -8.872 2.521 1.00 0.00 C ATOM 897 O ASP A 62 -12.926 -8.579 3.603 1.00 0.00 O ATOM 898 CB ASP A 62 -13.599 -11.076 2.457 1.00 0.00 C ATOM 899 CG ASP A 62 -14.654 -11.878 1.721 1.00 0.00 C ATOM 900 OD1 ASP A 62 -14.284 -12.846 1.025 1.00 0.00 O ATOM 901 OD2 ASP A 62 -15.850 -11.537 1.840 1.00 0.00 O ATOM 0 H ASP A 62 -11.232 -10.800 1.049 1.00 0.00 H new ATOM 0 HA ASP A 62 -13.872 -9.457 1.070 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -12.779 -11.735 2.743 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -14.025 -10.679 3.378 1.00 0.00 H new ATOM 906 N VAL A 63 -11.297 -8.309 2.074 1.00 0.00 N ATOM 907 CA VAL A 63 -10.592 -7.292 2.843 1.00 0.00 C ATOM 908 C VAL A 63 -9.823 -6.345 1.929 1.00 0.00 C ATOM 909 O VAL A 63 -9.547 -6.669 0.774 1.00 0.00 O ATOM 910 CB VAL A 63 -9.611 -7.927 3.847 1.00 0.00 C ATOM 911 CG1 VAL A 63 -8.551 -8.738 3.118 1.00 0.00 C ATOM 912 CG2 VAL A 63 -8.972 -6.856 4.718 1.00 0.00 C ATOM 0 H VAL A 63 -10.860 -8.541 1.182 1.00 0.00 H new ATOM 0 HA VAL A 63 -11.348 -6.729 3.390 1.00 0.00 H new ATOM 0 HB VAL A 63 -10.168 -8.603 4.495 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -7.867 -9.179 3.843 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -9.031 -9.530 2.543 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -7.994 -8.087 2.444 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -8.282 -7.323 5.421 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -8.428 -6.152 4.089 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -9.748 -6.325 5.269 1.00 0.00 H new ATOM 922 N ARG A 64 -9.480 -5.173 2.453 1.00 0.00 N ATOM 923 CA ARG A 64 -8.744 -4.177 1.684 1.00 0.00 C ATOM 924 C ARG A 64 -7.886 -3.309 2.599 1.00 0.00 C ATOM 925 O ARG A 64 -8.311 -2.929 3.690 1.00 0.00 O ATOM 926 CB ARG A 64 -9.711 -3.299 0.888 1.00 0.00 C ATOM 927 CG ARG A 64 -10.788 -2.651 1.743 1.00 0.00 C ATOM 928 CD ARG A 64 -12.074 -3.463 1.730 1.00 0.00 C ATOM 929 NE ARG A 64 -12.477 -3.829 0.375 1.00 0.00 N ATOM 930 CZ ARG A 64 -12.882 -2.949 -0.533 1.00 0.00 C ATOM 931 NH1 ARG A 64 -12.940 -1.658 -0.233 1.00 0.00 N ATOM 932 NH2 ARG A 64 -13.233 -3.359 -1.746 1.00 0.00 N ATOM 0 H ARG A 64 -9.700 -4.890 3.408 1.00 0.00 H new ATOM 0 HA ARG A 64 -8.087 -4.702 0.990 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -9.145 -2.519 0.378 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -10.187 -3.904 0.116 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -10.430 -2.552 2.768 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -10.988 -1.644 1.376 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -11.938 -4.367 2.324 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -12.871 -2.888 2.202 1.00 0.00 H new ATOM 0 HE ARG A 64 -12.446 -4.814 0.112 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -12.673 -1.338 0.698 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -13.252 -0.985 -0.933 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -13.192 -4.351 -1.981 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -13.544 -2.682 -2.443 1.00 0.00 H new ATOM 946 N LEU A 65 -6.675 -3.000 2.148 1.00 0.00 N ATOM 947 CA LEU A 65 -5.755 -2.177 2.925 1.00 0.00 C ATOM 948 C LEU A 65 -4.484 -1.885 2.135 1.00 0.00 C ATOM 949 O LEU A 65 -4.124 -2.629 1.222 1.00 0.00 O ATOM 950 CB LEU A 65 -5.405 -2.874 4.242 1.00 0.00 C ATOM 951 CG LEU A 65 -4.882 -4.303 4.098 1.00 0.00 C ATOM 952 CD1 LEU A 65 -5.946 -5.203 3.492 1.00 0.00 C ATOM 953 CD2 LEU A 65 -3.618 -4.325 3.251 1.00 0.00 C ATOM 0 H LEU A 65 -6.307 -3.307 1.248 1.00 0.00 H new ATOM 0 HA LEU A 65 -6.249 -1.230 3.143 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -4.654 -2.279 4.762 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -6.293 -2.890 4.874 1.00 0.00 H new ATOM 0 HG LEU A 65 -4.638 -4.681 5.091 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -5.555 -6.216 3.397 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -6.825 -5.212 4.136 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -6.222 -4.827 2.507 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -3.259 -5.350 3.159 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -3.837 -3.927 2.260 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.851 -3.714 3.726 1.00 0.00 H new ATOM 965 N PHE A 66 -3.809 -0.798 2.492 1.00 0.00 N ATOM 966 CA PHE A 66 -2.578 -0.406 1.815 1.00 0.00 C ATOM 967 C PHE A 66 -1.414 -1.294 2.248 1.00 0.00 C ATOM 968 O PHE A 66 -1.474 -1.953 3.285 1.00 0.00 O ATOM 969 CB PHE A 66 -2.253 1.059 2.111 1.00 0.00 C ATOM 970 CG PHE A 66 -3.388 1.997 1.814 1.00 0.00 C ATOM 971 CD1 PHE A 66 -4.445 2.127 2.701 1.00 0.00 C ATOM 972 CD2 PHE A 66 -3.398 2.748 0.650 1.00 0.00 C ATOM 973 CE1 PHE A 66 -5.492 2.988 2.429 1.00 0.00 C ATOM 974 CE2 PHE A 66 -4.442 3.611 0.374 1.00 0.00 C ATOM 975 CZ PHE A 66 -5.489 3.732 1.266 1.00 0.00 C ATOM 0 H PHE A 66 -4.093 -0.173 3.246 1.00 0.00 H new ATOM 0 HA PHE A 66 -2.727 -0.528 0.742 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -1.977 1.157 3.161 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.384 1.356 1.524 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -4.451 1.550 3.614 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -2.581 2.658 -0.050 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -6.312 3.079 3.126 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -4.439 4.190 -0.538 1.00 0.00 H new ATOM 0 HZ PHE A 66 -6.304 4.408 1.054 1.00 0.00 H new ATOM 985 N ALA A 67 -0.357 -1.305 1.443 1.00 0.00 N ATOM 986 CA ALA A 67 0.821 -2.111 1.742 1.00 0.00 C ATOM 987 C ALA A 67 2.085 -1.462 1.186 1.00 0.00 C ATOM 988 O ALA A 67 2.287 -1.411 -0.027 1.00 0.00 O ATOM 989 CB ALA A 67 0.657 -3.516 1.181 1.00 0.00 C ATOM 0 H ALA A 67 -0.292 -0.766 0.580 1.00 0.00 H new ATOM 0 HA ALA A 67 0.922 -2.174 2.826 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.544 -4.106 1.412 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -0.218 -3.987 1.629 1.00 0.00 H new ATOM 0 HB3 ALA A 67 0.528 -3.463 0.100 1.00 0.00 H new ATOM 995 N PHE A 68 2.932 -0.966 2.082 1.00 0.00 N ATOM 996 CA PHE A 68 4.176 -0.318 1.681 1.00 0.00 C ATOM 997 C PHE A 68 5.337 -1.306 1.710 1.00 0.00 C ATOM 998 O PHE A 68 5.816 -1.689 2.779 1.00 0.00 O ATOM 999 CB PHE A 68 4.476 0.869 2.599 1.00 0.00 C ATOM 1000 CG PHE A 68 5.736 1.602 2.238 1.00 0.00 C ATOM 1001 CD1 PHE A 68 6.978 1.064 2.537 1.00 0.00 C ATOM 1002 CD2 PHE A 68 5.679 2.829 1.597 1.00 0.00 C ATOM 1003 CE1 PHE A 68 8.138 1.737 2.205 1.00 0.00 C ATOM 1004 CE2 PHE A 68 6.837 3.507 1.263 1.00 0.00 C ATOM 1005 CZ PHE A 68 8.068 2.960 1.569 1.00 0.00 C ATOM 0 H PHE A 68 2.780 -1.000 3.090 1.00 0.00 H new ATOM 0 HA PHE A 68 4.056 0.044 0.660 1.00 0.00 H new ATOM 0 HB2 PHE A 68 3.638 1.565 2.565 1.00 0.00 H new ATOM 0 HB3 PHE A 68 4.554 0.513 3.626 1.00 0.00 H new ATOM 0 HD1 PHE A 68 7.040 0.108 3.035 1.00 0.00 H new ATOM 0 HD2 PHE A 68 4.719 3.261 1.355 1.00 0.00 H new ATOM 0 HE1 PHE A 68 9.099 1.306 2.443 1.00 0.00 H new ATOM 0 HE2 PHE A 68 6.779 4.463 0.764 1.00 0.00 H new ATOM 0 HZ PHE A 68 8.974 3.488 1.311 1.00 0.00 H new ATOM 1015 N VAL A 69 5.788 -1.717 0.529 1.00 0.00 N ATOM 1016 CA VAL A 69 6.894 -2.661 0.418 1.00 0.00 C ATOM 1017 C VAL A 69 8.121 -1.999 -0.200 1.00 0.00 C ATOM 1018 O VAL A 69 8.002 -1.154 -1.087 1.00 0.00 O ATOM 1019 CB VAL A 69 6.504 -3.886 -0.429 1.00 0.00 C ATOM 1020 CG1 VAL A 69 7.652 -4.882 -0.488 1.00 0.00 C ATOM 1021 CG2 VAL A 69 5.248 -4.539 0.127 1.00 0.00 C ATOM 0 H VAL A 69 5.404 -1.411 -0.365 1.00 0.00 H new ATOM 0 HA VAL A 69 7.132 -2.990 1.430 1.00 0.00 H new ATOM 0 HB VAL A 69 6.293 -3.552 -1.445 1.00 0.00 H new ATOM 0 HG11 VAL A 69 7.358 -5.741 -1.091 1.00 0.00 H new ATOM 0 HG12 VAL A 69 8.524 -4.406 -0.936 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.898 -5.214 0.521 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.986 -5.403 -0.484 1.00 0.00 H new ATOM 0 HG22 VAL A 69 5.429 -4.861 1.153 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.427 -3.822 0.111 1.00 0.00 H new ATOM 1031 N ARG A 70 9.299 -2.389 0.276 1.00 0.00 N ATOM 1032 CA ARG A 70 10.549 -1.833 -0.230 1.00 0.00 C ATOM 1033 C ARG A 70 11.083 -2.665 -1.392 1.00 0.00 C ATOM 1034 O ARG A 70 11.292 -3.871 -1.261 1.00 0.00 O ATOM 1035 CB ARG A 70 11.591 -1.768 0.888 1.00 0.00 C ATOM 1036 CG ARG A 70 12.991 -1.436 0.396 1.00 0.00 C ATOM 1037 CD ARG A 70 14.025 -1.617 1.496 1.00 0.00 C ATOM 1038 NE ARG A 70 15.350 -1.912 0.957 1.00 0.00 N ATOM 1039 CZ ARG A 70 16.480 -1.673 1.614 1.00 0.00 C ATOM 1040 NH1 ARG A 70 16.445 -1.137 2.826 1.00 0.00 N ATOM 1041 NH2 ARG A 70 17.648 -1.969 1.057 1.00 0.00 N ATOM 0 H ARG A 70 9.414 -3.087 1.011 1.00 0.00 H new ATOM 0 HA ARG A 70 10.350 -0.824 -0.591 1.00 0.00 H new ATOM 0 HB2 ARG A 70 11.284 -1.018 1.617 1.00 0.00 H new ATOM 0 HB3 ARG A 70 11.615 -2.726 1.407 1.00 0.00 H new ATOM 0 HG2 ARG A 70 13.242 -2.076 -0.450 1.00 0.00 H new ATOM 0 HG3 ARG A 70 13.017 -0.407 0.036 1.00 0.00 H new ATOM 0 HD2 ARG A 70 14.073 -0.712 2.101 1.00 0.00 H new ATOM 0 HD3 ARG A 70 13.714 -2.426 2.157 1.00 0.00 H new ATOM 0 HE ARG A 70 15.411 -2.324 0.026 1.00 0.00 H new ATOM 0 HH11 ARG A 70 15.549 -0.907 3.256 1.00 0.00 H new ATOM 0 HH12 ARG A 70 17.314 -0.955 3.328 1.00 0.00 H new ATOM 0 HH21 ARG A 70 17.678 -2.380 0.124 1.00 0.00 H new ATOM 0 HH22 ARG A 70 18.515 -1.785 1.562 1.00 0.00 H new ATOM 1239 N PHE A 83 10.330 1.853 -3.206 1.00 0.00 N ATOM 1240 CA PHE A 83 9.143 1.419 -2.477 1.00 0.00 C ATOM 1241 C PHE A 83 7.894 1.562 -3.341 1.00 0.00 C ATOM 1242 O PHE A 83 7.975 1.923 -4.514 1.00 0.00 O ATOM 1243 CB PHE A 83 8.983 2.232 -1.191 1.00 0.00 C ATOM 1244 CG PHE A 83 10.254 2.357 -0.399 1.00 0.00 C ATOM 1245 CD1 PHE A 83 11.129 3.406 -0.631 1.00 0.00 C ATOM 1246 CD2 PHE A 83 10.572 1.426 0.575 1.00 0.00 C ATOM 1247 CE1 PHE A 83 12.298 3.525 0.097 1.00 0.00 C ATOM 1248 CE2 PHE A 83 11.741 1.539 1.306 1.00 0.00 C ATOM 1249 CZ PHE A 83 12.605 2.590 1.065 1.00 0.00 C ATOM 0 HA PHE A 83 9.268 0.367 -2.220 1.00 0.00 H new ATOM 0 HB2 PHE A 83 8.622 3.229 -1.443 1.00 0.00 H new ATOM 0 HB3 PHE A 83 8.220 1.765 -0.568 1.00 0.00 H new ATOM 0 HD1 PHE A 83 10.895 4.139 -1.389 1.00 0.00 H new ATOM 0 HD2 PHE A 83 9.900 0.602 0.766 1.00 0.00 H new ATOM 0 HE1 PHE A 83 12.971 4.349 -0.091 1.00 0.00 H new ATOM 0 HE2 PHE A 83 11.978 0.807 2.064 1.00 0.00 H new ATOM 0 HZ PHE A 83 13.519 2.680 1.633 1.00 0.00 H new ATOM 1259 N ALA A 84 6.738 1.273 -2.750 1.00 0.00 N ATOM 1260 CA ALA A 84 5.470 1.369 -3.464 1.00 0.00 C ATOM 1261 C ALA A 84 4.298 1.040 -2.547 1.00 0.00 C ATOM 1262 O ALA A 84 4.312 0.032 -1.842 1.00 0.00 O ATOM 1263 CB ALA A 84 5.473 0.444 -4.672 1.00 0.00 C ATOM 0 H ALA A 84 6.654 0.971 -1.779 1.00 0.00 H new ATOM 0 HA ALA A 84 5.352 2.397 -3.807 1.00 0.00 H new ATOM 0 HB1 ALA A 84 4.520 0.526 -5.195 1.00 0.00 H new ATOM 0 HB2 ALA A 84 6.282 0.727 -5.345 1.00 0.00 H new ATOM 0 HB3 ALA A 84 5.618 -0.585 -4.342 1.00 0.00 H new ATOM 1269 N LEU A 85 3.284 1.899 -2.560 1.00 0.00 N ATOM 1270 CA LEU A 85 2.103 1.701 -1.728 1.00 0.00 C ATOM 1271 C LEU A 85 1.081 0.817 -2.435 1.00 0.00 C ATOM 1272 O LEU A 85 0.214 1.308 -3.160 1.00 0.00 O ATOM 1273 CB LEU A 85 1.470 3.049 -1.374 1.00 0.00 C ATOM 1274 CG LEU A 85 0.706 3.078 -0.052 1.00 0.00 C ATOM 1275 CD1 LEU A 85 1.645 2.813 1.115 1.00 0.00 C ATOM 1276 CD2 LEU A 85 -0.003 4.412 0.125 1.00 0.00 C ATOM 0 H LEU A 85 3.257 2.739 -3.138 1.00 0.00 H new ATOM 0 HA LEU A 85 2.416 1.202 -0.811 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.256 3.804 -1.339 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.789 3.335 -2.176 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.046 2.289 -0.073 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.082 2.838 2.048 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.106 1.833 0.995 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.421 3.578 1.139 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -0.542 4.415 1.072 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.731 5.217 0.123 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -0.707 4.561 -0.694 1.00 0.00 H new ATOM 1288 N ILE A 86 1.190 -0.490 -2.222 1.00 0.00 N ATOM 1289 CA ILE A 86 0.275 -1.443 -2.838 1.00 0.00 C ATOM 1290 C ILE A 86 -1.084 -1.427 -2.147 1.00 0.00 C ATOM 1291 O ILE A 86 -1.252 -1.997 -1.068 1.00 0.00 O ATOM 1292 CB ILE A 86 0.842 -2.875 -2.797 1.00 0.00 C ATOM 1293 CG1 ILE A 86 2.064 -2.990 -3.712 1.00 0.00 C ATOM 1294 CG2 ILE A 86 -0.225 -3.879 -3.202 1.00 0.00 C ATOM 1295 CD1 ILE A 86 3.080 -4.004 -3.237 1.00 0.00 C ATOM 0 H ILE A 86 1.903 -0.913 -1.628 1.00 0.00 H new ATOM 0 HA ILE A 86 0.155 -1.138 -3.877 1.00 0.00 H new ATOM 0 HB ILE A 86 1.153 -3.097 -1.776 1.00 0.00 H new ATOM 0 HG12 ILE A 86 1.733 -3.261 -4.714 1.00 0.00 H new ATOM 0 HG13 ILE A 86 2.544 -2.014 -3.788 1.00 0.00 H new ATOM 0 HG21 ILE A 86 0.191 -4.886 -3.168 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -1.068 -3.811 -2.514 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -0.564 -3.661 -4.215 1.00 0.00 H new ATOM 0 HD11 ILE A 86 3.918 -4.032 -3.933 1.00 0.00 H new ATOM 0 HD12 ILE A 86 3.439 -3.723 -2.247 1.00 0.00 H new ATOM 0 HD13 ILE A 86 2.616 -4.989 -3.188 1.00 0.00 H new ATOM 1307 N THR A 87 -2.054 -0.771 -2.776 1.00 0.00 N ATOM 1308 CA THR A 87 -3.399 -0.680 -2.223 1.00 0.00 C ATOM 1309 C THR A 87 -4.233 -1.898 -2.604 1.00 0.00 C ATOM 1310 O THR A 87 -4.757 -1.980 -3.715 1.00 0.00 O ATOM 1311 CB THR A 87 -4.120 0.593 -2.705 1.00 0.00 C ATOM 1312 OG1 THR A 87 -3.554 1.746 -2.072 1.00 0.00 O ATOM 1313 CG2 THR A 87 -5.609 0.520 -2.400 1.00 0.00 C ATOM 0 H THR A 87 -1.933 -0.295 -3.670 1.00 0.00 H new ATOM 0 HA THR A 87 -3.293 -0.640 -1.139 1.00 0.00 H new ATOM 0 HB THR A 87 -3.990 0.671 -3.784 1.00 0.00 H new ATOM 0 HG1 THR A 87 -3.933 1.845 -1.174 1.00 0.00 H new ATOM 0 HG21 THR A 87 -6.097 1.430 -2.749 1.00 0.00 H new ATOM 0 HG22 THR A 87 -6.042 -0.342 -2.907 1.00 0.00 H new ATOM 0 HG23 THR A 87 -5.756 0.420 -1.325 1.00 0.00 H new ATOM 1321 N TRP A 88 -4.353 -2.841 -1.676 1.00 0.00 N ATOM 1322 CA TRP A 88 -5.124 -4.055 -1.915 1.00 0.00 C ATOM 1323 C TRP A 88 -6.619 -3.783 -1.790 1.00 0.00 C ATOM 1324 O TRP A 88 -7.046 -2.982 -0.957 1.00 0.00 O ATOM 1325 CB TRP A 88 -4.709 -5.150 -0.932 1.00 0.00 C ATOM 1326 CG TRP A 88 -5.600 -6.354 -0.971 1.00 0.00 C ATOM 1327 CD1 TRP A 88 -6.412 -6.806 0.030 1.00 0.00 C ATOM 1328 CD2 TRP A 88 -5.769 -7.259 -2.067 1.00 0.00 C ATOM 1329 NE1 TRP A 88 -7.075 -7.938 -0.377 1.00 0.00 N ATOM 1330 CE2 TRP A 88 -6.699 -8.237 -1.660 1.00 0.00 C ATOM 1331 CE3 TRP A 88 -5.229 -7.339 -3.354 1.00 0.00 C ATOM 1332 CZ2 TRP A 88 -7.096 -9.279 -2.494 1.00 0.00 C ATOM 1333 CZ3 TRP A 88 -5.623 -8.374 -4.179 1.00 0.00 C ATOM 1334 CH2 TRP A 88 -6.550 -9.333 -3.747 1.00 0.00 C ATOM 0 H TRP A 88 -3.926 -2.788 -0.751 1.00 0.00 H new ATOM 0 HA TRP A 88 -4.918 -4.392 -2.931 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -3.686 -5.457 -1.152 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -4.709 -4.740 0.078 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -6.517 -6.341 0.999 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -7.740 -8.470 0.185 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -4.516 -6.604 -3.697 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -7.810 -10.019 -2.163 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -5.210 -8.446 -5.174 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -6.839 -10.130 -4.416 1.00 0.00 H new ATOM 1345 N ILE A 89 -7.411 -4.454 -2.620 1.00 0.00 N ATOM 1346 CA ILE A 89 -8.858 -4.285 -2.599 1.00 0.00 C ATOM 1347 C ILE A 89 -9.567 -5.563 -3.033 1.00 0.00 C ATOM 1348 O ILE A 89 -9.672 -5.853 -4.224 1.00 0.00 O ATOM 1349 CB ILE A 89 -9.303 -3.129 -3.513 1.00 0.00 C ATOM 1350 CG1 ILE A 89 -8.596 -1.832 -3.113 1.00 0.00 C ATOM 1351 CG2 ILE A 89 -10.813 -2.956 -3.454 1.00 0.00 C ATOM 1352 CD1 ILE A 89 -8.884 -0.674 -4.044 1.00 0.00 C ATOM 0 H ILE A 89 -7.074 -5.120 -3.315 1.00 0.00 H new ATOM 0 HA ILE A 89 -9.133 -4.051 -1.571 1.00 0.00 H new ATOM 0 HB ILE A 89 -9.026 -3.370 -4.539 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -8.900 -1.559 -2.102 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -7.521 -2.007 -3.086 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -11.111 -2.135 -4.106 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -11.298 -3.875 -3.784 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -11.114 -2.734 -2.430 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -8.350 0.212 -3.699 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -8.555 -0.927 -5.052 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -9.955 -0.472 -4.052 1.00 0.00 H new ATOM 1364 N GLY A 90 -10.055 -6.324 -2.057 1.00 0.00 N ATOM 1365 CA GLY A 90 -10.749 -7.562 -2.359 1.00 0.00 C ATOM 1366 C GLY A 90 -11.550 -7.479 -3.644 1.00 0.00 C ATOM 1367 O GLY A 90 -11.996 -6.401 -4.036 1.00 0.00 O ATOM 0 H GLY A 90 -9.982 -6.105 -1.064 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -10.024 -8.372 -2.438 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -11.416 -7.812 -1.534 1.00 0.00 H new ATOM 1371 N GLU A 91 -11.733 -8.621 -4.300 1.00 0.00 N ATOM 1372 CA GLU A 91 -12.482 -8.671 -5.549 1.00 0.00 C ATOM 1373 C GLU A 91 -13.948 -9.008 -5.290 1.00 0.00 C ATOM 1374 O GLU A 91 -14.824 -8.675 -6.089 1.00 0.00 O ATOM 1375 CB GLU A 91 -11.870 -9.705 -6.496 1.00 0.00 C ATOM 1376 CG GLU A 91 -12.574 -9.792 -7.840 1.00 0.00 C ATOM 1377 CD GLU A 91 -11.714 -10.439 -8.908 1.00 0.00 C ATOM 1378 OE1 GLU A 91 -10.577 -9.968 -9.121 1.00 0.00 O ATOM 1379 OE2 GLU A 91 -12.179 -11.416 -9.532 1.00 0.00 O ATOM 0 H GLU A 91 -11.373 -9.523 -3.987 1.00 0.00 H new ATOM 0 HA GLU A 91 -12.429 -7.687 -6.014 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -10.821 -9.459 -6.660 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -11.896 -10.684 -6.017 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -13.496 -10.362 -7.727 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -12.856 -8.790 -8.164 1.00 0.00 H new ATOM 1386 N ASP A 92 -14.207 -9.671 -4.169 1.00 0.00 N ATOM 1387 CA ASP A 92 -15.566 -10.054 -3.804 1.00 0.00 C ATOM 1388 C ASP A 92 -16.277 -8.912 -3.083 1.00 0.00 C ATOM 1389 O ASP A 92 -17.485 -8.968 -2.850 1.00 0.00 O ATOM 1390 CB ASP A 92 -15.546 -11.300 -2.916 1.00 0.00 C ATOM 1391 CG ASP A 92 -16.940 -11.774 -2.552 1.00 0.00 C ATOM 1392 OD1 ASP A 92 -17.882 -11.491 -3.322 1.00 0.00 O ATOM 1393 OD2 ASP A 92 -17.090 -12.424 -1.497 1.00 0.00 O ATOM 0 H ASP A 92 -13.494 -9.955 -3.497 1.00 0.00 H new ATOM 0 HA ASP A 92 -16.113 -10.278 -4.720 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -15.016 -12.101 -3.431 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -14.989 -11.084 -2.004 1.00 0.00 H new ATOM 1398 N VAL A 93 -15.519 -7.879 -2.733 1.00 0.00 N ATOM 1399 CA VAL A 93 -16.076 -6.723 -2.039 1.00 0.00 C ATOM 1400 C VAL A 93 -17.122 -6.019 -2.897 1.00 0.00 C ATOM 1401 O VAL A 93 -17.197 -6.236 -4.106 1.00 0.00 O ATOM 1402 CB VAL A 93 -14.977 -5.714 -1.657 1.00 0.00 C ATOM 1403 CG1 VAL A 93 -15.495 -4.728 -0.621 1.00 0.00 C ATOM 1404 CG2 VAL A 93 -13.744 -6.441 -1.143 1.00 0.00 C ATOM 0 H VAL A 93 -14.518 -7.818 -2.918 1.00 0.00 H new ATOM 0 HA VAL A 93 -16.547 -7.096 -1.130 1.00 0.00 H new ATOM 0 HB VAL A 93 -14.696 -5.153 -2.548 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -14.705 -4.023 -0.363 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -16.347 -4.185 -1.030 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -15.805 -5.269 0.273 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -12.977 -5.714 -0.877 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -14.008 -7.028 -0.263 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -13.362 -7.104 -1.920 1.00 0.00 H new ATOM 1414 N SER A 94 -17.927 -5.173 -2.262 1.00 0.00 N ATOM 1415 CA SER A 94 -18.971 -4.438 -2.967 1.00 0.00 C ATOM 1416 C SER A 94 -18.411 -3.164 -3.594 1.00 0.00 C ATOM 1417 O SER A 94 -17.653 -2.430 -2.962 1.00 0.00 O ATOM 1418 CB SER A 94 -20.113 -4.089 -2.011 1.00 0.00 C ATOM 1419 OG SER A 94 -21.204 -3.512 -2.706 1.00 0.00 O ATOM 0 H SER A 94 -17.876 -4.980 -1.262 1.00 0.00 H new ATOM 0 HA SER A 94 -19.355 -5.076 -3.763 1.00 0.00 H new ATOM 0 HB2 SER A 94 -20.444 -4.988 -1.492 1.00 0.00 H new ATOM 0 HB3 SER A 94 -19.755 -3.395 -1.250 1.00 0.00 H new ATOM 0 HG SER A 94 -21.921 -3.300 -2.072 1.00 0.00 H new ATOM 1425 N GLY A 95 -18.790 -2.911 -4.843 1.00 0.00 N ATOM 1426 CA GLY A 95 -18.317 -1.727 -5.536 1.00 0.00 C ATOM 1427 C GLY A 95 -18.192 -0.528 -4.616 1.00 0.00 C ATOM 1428 O GLY A 95 -17.257 0.262 -4.739 1.00 0.00 O ATOM 0 H GLY A 95 -19.416 -3.505 -5.387 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -17.348 -1.937 -5.988 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -19.002 -1.487 -6.349 1.00 0.00 H new ATOM 1432 N LEU A 96 -19.137 -0.392 -3.693 1.00 0.00 N ATOM 1433 CA LEU A 96 -19.131 0.721 -2.750 1.00 0.00 C ATOM 1434 C LEU A 96 -17.807 0.786 -1.996 1.00 0.00 C ATOM 1435 O LEU A 96 -17.020 1.715 -2.182 1.00 0.00 O ATOM 1436 CB LEU A 96 -20.290 0.584 -1.760 1.00 0.00 C ATOM 1437 CG LEU A 96 -20.625 1.854 -0.977 1.00 0.00 C ATOM 1438 CD1 LEU A 96 -21.661 1.561 0.097 1.00 0.00 C ATOM 1439 CD2 LEU A 96 -19.368 2.448 -0.360 1.00 0.00 C ATOM 0 H LEU A 96 -19.917 -1.038 -3.577 1.00 0.00 H new ATOM 0 HA LEU A 96 -19.253 1.645 -3.315 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -21.179 0.267 -2.306 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -20.051 -0.209 -1.052 1.00 0.00 H new ATOM 0 HG LEU A 96 -21.045 2.584 -1.669 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -21.887 2.476 0.644 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -22.571 1.183 -0.369 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -21.269 0.814 0.787 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -19.626 3.351 0.193 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -18.918 1.723 0.318 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -18.658 2.696 -1.149 1.00 0.00 H new ATOM 1451 N GLN A 97 -17.568 -0.205 -1.144 1.00 0.00 N ATOM 1452 CA GLN A 97 -16.339 -0.259 -0.361 1.00 0.00 C ATOM 1453 C GLN A 97 -15.119 -0.035 -1.247 1.00 0.00 C ATOM 1454 O GLN A 97 -14.225 0.739 -0.904 1.00 0.00 O ATOM 1455 CB GLN A 97 -16.224 -1.607 0.355 1.00 0.00 C ATOM 1456 CG GLN A 97 -16.777 -1.593 1.770 1.00 0.00 C ATOM 1457 CD GLN A 97 -16.182 -0.486 2.618 1.00 0.00 C ATOM 1458 OE1 GLN A 97 -14.993 -0.186 2.523 1.00 0.00 O ATOM 1459 NE2 GLN A 97 -17.011 0.129 3.454 1.00 0.00 N ATOM 0 H GLN A 97 -18.209 -0.981 -0.978 1.00 0.00 H new ATOM 0 HA GLN A 97 -16.376 0.537 0.382 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -16.752 -2.363 -0.225 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -15.176 -1.904 0.386 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -17.860 -1.474 1.732 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -16.578 -2.555 2.243 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -17.990 -0.152 3.500 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -16.668 0.883 4.050 1.00 0.00 H new ATOM 1468 N ARG A 98 -15.088 -0.716 -2.387 1.00 0.00 N ATOM 1469 CA ARG A 98 -13.975 -0.592 -3.321 1.00 0.00 C ATOM 1470 C ARG A 98 -13.834 0.846 -3.811 1.00 0.00 C ATOM 1471 O ARG A 98 -12.742 1.286 -4.168 1.00 0.00 O ATOM 1472 CB ARG A 98 -14.176 -1.530 -4.513 1.00 0.00 C ATOM 1473 CG ARG A 98 -13.155 -1.333 -5.622 1.00 0.00 C ATOM 1474 CD ARG A 98 -13.740 -1.668 -6.984 1.00 0.00 C ATOM 1475 NE ARG A 98 -12.743 -1.575 -8.048 1.00 0.00 N ATOM 1476 CZ ARG A 98 -13.045 -1.362 -9.322 1.00 0.00 C ATOM 1477 NH1 ARG A 98 -14.311 -1.219 -9.693 1.00 0.00 N ATOM 1478 NH2 ARG A 98 -12.082 -1.289 -10.232 1.00 0.00 N ATOM 0 H ARG A 98 -15.821 -1.359 -2.687 1.00 0.00 H new ATOM 0 HA ARG A 98 -13.061 -0.871 -2.797 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -14.127 -2.562 -4.165 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -15.176 -1.378 -4.920 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -12.807 -0.300 -5.618 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -12.286 -1.963 -5.433 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -14.154 -2.676 -6.962 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -14.565 -0.990 -7.201 1.00 0.00 H new ATOM 0 HE ARG A 98 -11.760 -1.680 -7.797 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -15.055 -1.273 -8.998 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -14.540 -1.055 -10.673 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -11.107 -1.397 -9.953 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -12.317 -1.125 -11.211 1.00 0.00 H new ATOM 1492 N ALA A 99 -14.947 1.573 -3.823 1.00 0.00 N ATOM 1493 CA ALA A 99 -14.947 2.961 -4.267 1.00 0.00 C ATOM 1494 C ALA A 99 -14.597 3.904 -3.120 1.00 0.00 C ATOM 1495 O ALA A 99 -14.503 5.118 -3.307 1.00 0.00 O ATOM 1496 CB ALA A 99 -16.301 3.327 -4.857 1.00 0.00 C ATOM 0 H ALA A 99 -15.859 1.223 -3.530 1.00 0.00 H new ATOM 0 HA ALA A 99 -14.185 3.069 -5.039 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -16.286 4.367 -5.184 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -16.513 2.681 -5.709 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -17.075 3.196 -4.101 1.00 0.00 H new ATOM 1502 N LYS A 100 -14.405 3.338 -1.933 1.00 0.00 N ATOM 1503 CA LYS A 100 -14.065 4.128 -0.755 1.00 0.00 C ATOM 1504 C LYS A 100 -12.567 4.064 -0.472 1.00 0.00 C ATOM 1505 O LYS A 100 -11.920 5.089 -0.257 1.00 0.00 O ATOM 1506 CB LYS A 100 -14.848 3.630 0.462 1.00 0.00 C ATOM 1507 CG LYS A 100 -16.353 3.743 0.304 1.00 0.00 C ATOM 1508 CD LYS A 100 -16.796 5.194 0.208 1.00 0.00 C ATOM 1509 CE LYS A 100 -16.983 5.625 -1.239 1.00 0.00 C ATOM 1510 NZ LYS A 100 -17.858 6.824 -1.352 1.00 0.00 N ATOM 0 H LYS A 100 -14.479 2.335 -1.761 1.00 0.00 H new ATOM 0 HA LYS A 100 -14.335 5.165 -0.952 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -14.588 2.588 0.649 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -14.540 4.198 1.339 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -16.667 3.206 -0.591 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -16.846 3.266 1.152 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -17.731 5.327 0.752 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -16.055 5.834 0.687 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -16.011 5.842 -1.682 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -17.417 4.804 -1.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -17.961 7.086 -2.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -18.794 6.610 -0.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -17.432 7.615 -0.829 1.00 0.00 H new ATOM 1524 N THR A 101 -12.021 2.851 -0.472 1.00 0.00 N ATOM 1525 CA THR A 101 -10.601 2.653 -0.214 1.00 0.00 C ATOM 1526 C THR A 101 -9.752 3.591 -1.064 1.00 0.00 C ATOM 1527 O THR A 101 -8.688 4.039 -0.638 1.00 0.00 O ATOM 1528 CB THR A 101 -10.176 1.199 -0.495 1.00 0.00 C ATOM 1529 OG1 THR A 101 -11.162 0.294 0.015 1.00 0.00 O ATOM 1530 CG2 THR A 101 -8.827 0.897 0.137 1.00 0.00 C ATOM 0 H THR A 101 -12.542 1.992 -0.648 1.00 0.00 H new ATOM 0 HA THR A 101 -10.438 2.874 0.841 1.00 0.00 H new ATOM 0 HB THR A 101 -10.089 1.071 -1.574 1.00 0.00 H new ATOM 0 HG1 THR A 101 -11.369 0.526 0.945 1.00 0.00 H new ATOM 0 HG21 THR A 101 -8.549 -0.135 -0.075 1.00 0.00 H new ATOM 0 HG22 THR A 101 -8.074 1.568 -0.275 1.00 0.00 H new ATOM 0 HG23 THR A 101 -8.890 1.041 1.216 1.00 0.00 H new ATOM 1538 N GLY A 102 -10.230 3.886 -2.269 1.00 0.00 N ATOM 1539 CA GLY A 102 -9.502 4.771 -3.160 1.00 0.00 C ATOM 1540 C GLY A 102 -9.521 6.212 -2.690 1.00 0.00 C ATOM 1541 O GLY A 102 -8.592 6.974 -2.958 1.00 0.00 O ATOM 0 H GLY A 102 -11.108 3.528 -2.644 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -8.469 4.432 -3.240 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -9.935 4.712 -4.159 1.00 0.00 H new ATOM 1545 N THR A 103 -10.585 6.588 -1.986 1.00 0.00 N ATOM 1546 CA THR A 103 -10.725 7.947 -1.480 1.00 0.00 C ATOM 1547 C THR A 103 -9.867 8.163 -0.238 1.00 0.00 C ATOM 1548 O THR A 103 -9.244 9.211 -0.076 1.00 0.00 O ATOM 1549 CB THR A 103 -12.191 8.273 -1.141 1.00 0.00 C ATOM 1550 OG1 THR A 103 -13.002 8.164 -2.316 1.00 0.00 O ATOM 1551 CG2 THR A 103 -12.315 9.675 -0.563 1.00 0.00 C ATOM 0 H THR A 103 -11.362 5.969 -1.754 1.00 0.00 H new ATOM 0 HA THR A 103 -10.387 8.615 -2.272 1.00 0.00 H new ATOM 0 HB THR A 103 -12.535 7.557 -0.394 1.00 0.00 H new ATOM 0 HG1 THR A 103 -13.933 8.371 -2.091 1.00 0.00 H new ATOM 0 HG21 THR A 103 -13.360 9.882 -0.332 1.00 0.00 H new ATOM 0 HG22 THR A 103 -11.720 9.747 0.348 1.00 0.00 H new ATOM 0 HG23 THR A 103 -11.954 10.402 -1.291 1.00 0.00 H new ATOM 1559 N ASP A 104 -9.841 7.162 0.637 1.00 0.00 N ATOM 1560 CA ASP A 104 -9.059 7.241 1.865 1.00 0.00 C ATOM 1561 C ASP A 104 -7.565 7.187 1.562 1.00 0.00 C ATOM 1562 O ASP A 104 -6.733 7.413 2.442 1.00 0.00 O ATOM 1563 CB ASP A 104 -9.442 6.102 2.812 1.00 0.00 C ATOM 1564 CG ASP A 104 -10.927 6.073 3.110 1.00 0.00 C ATOM 1565 OD1 ASP A 104 -11.561 7.149 3.081 1.00 0.00 O ATOM 1566 OD2 ASP A 104 -11.457 4.972 3.372 1.00 0.00 O ATOM 0 H ASP A 104 -10.352 6.287 0.518 1.00 0.00 H new ATOM 0 HA ASP A 104 -9.279 8.194 2.347 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -9.144 5.151 2.371 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -8.889 6.208 3.745 1.00 0.00 H new ATOM 1571 N LYS A 105 -7.231 6.885 0.312 1.00 0.00 N ATOM 1572 CA LYS A 105 -5.837 6.801 -0.109 1.00 0.00 C ATOM 1573 C LYS A 105 -5.132 8.141 0.072 1.00 0.00 C ATOM 1574 O LYS A 105 -3.918 8.195 0.272 1.00 0.00 O ATOM 1575 CB LYS A 105 -5.749 6.359 -1.571 1.00 0.00 C ATOM 1576 CG LYS A 105 -4.430 6.710 -2.236 1.00 0.00 C ATOM 1577 CD LYS A 105 -4.472 8.093 -2.864 1.00 0.00 C ATOM 1578 CE LYS A 105 -5.190 8.075 -4.204 1.00 0.00 C ATOM 1579 NZ LYS A 105 -4.252 7.818 -5.332 1.00 0.00 N ATOM 0 H LYS A 105 -7.907 6.694 -0.428 1.00 0.00 H new ATOM 0 HA LYS A 105 -5.339 6.061 0.518 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -5.897 5.280 -1.625 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -6.562 6.821 -2.131 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -3.628 6.668 -1.499 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -4.199 5.969 -3.001 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -4.976 8.785 -2.189 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -3.456 8.463 -2.999 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -5.963 7.306 -4.192 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -5.693 9.030 -4.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -4.338 8.580 -6.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -3.277 7.787 -4.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -4.486 6.908 -5.777 1.00 0.00 H new ATOM 1593 N THR A 106 -5.901 9.224 0.000 1.00 0.00 N ATOM 1594 CA THR A 106 -5.351 10.564 0.155 1.00 0.00 C ATOM 1595 C THR A 106 -4.789 10.768 1.557 1.00 0.00 C ATOM 1596 O THR A 106 -3.984 11.671 1.789 1.00 0.00 O ATOM 1597 CB THR A 106 -6.414 11.643 -0.122 1.00 0.00 C ATOM 1598 OG1 THR A 106 -7.058 11.386 -1.375 1.00 0.00 O ATOM 1599 CG2 THR A 106 -5.785 13.029 -0.143 1.00 0.00 C ATOM 0 H THR A 106 -6.907 9.198 -0.165 1.00 0.00 H new ATOM 0 HA THR A 106 -4.547 10.662 -0.574 1.00 0.00 H new ATOM 0 HB THR A 106 -7.153 11.609 0.679 1.00 0.00 H new ATOM 0 HG1 THR A 106 -7.734 12.076 -1.543 1.00 0.00 H new ATOM 0 HG21 THR A 106 -6.555 13.775 -0.340 1.00 0.00 H new ATOM 0 HG22 THR A 106 -5.321 13.233 0.822 1.00 0.00 H new ATOM 0 HG23 THR A 106 -5.028 13.073 -0.926 1.00 0.00 H new ATOM 1607 N LEU A 107 -5.217 9.925 2.490 1.00 0.00 N ATOM 1608 CA LEU A 107 -4.755 10.012 3.872 1.00 0.00 C ATOM 1609 C LEU A 107 -3.481 9.199 4.072 1.00 0.00 C ATOM 1610 O LEU A 107 -2.493 9.695 4.613 1.00 0.00 O ATOM 1611 CB LEU A 107 -5.845 9.520 4.827 1.00 0.00 C ATOM 1612 CG LEU A 107 -7.279 9.790 4.368 1.00 0.00 C ATOM 1613 CD1 LEU A 107 -8.263 9.496 5.489 1.00 0.00 C ATOM 1614 CD2 LEU A 107 -7.424 11.227 3.892 1.00 0.00 C ATOM 0 H LEU A 107 -5.884 9.173 2.315 1.00 0.00 H new ATOM 0 HA LEU A 107 -4.534 11.057 4.091 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -5.722 8.447 4.972 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -5.696 9.992 5.798 1.00 0.00 H new ATOM 0 HG LEU A 107 -7.504 9.127 3.533 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -9.278 9.694 5.144 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -8.177 8.450 5.783 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -8.040 10.133 6.345 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -8.450 11.402 3.569 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -7.180 11.907 4.708 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -6.746 11.404 3.057 1.00 0.00 H new ATOM 1626 N VAL A 108 -3.512 7.944 3.632 1.00 0.00 N ATOM 1627 CA VAL A 108 -2.359 7.061 3.763 1.00 0.00 C ATOM 1628 C VAL A 108 -1.162 7.602 2.989 1.00 0.00 C ATOM 1629 O VAL A 108 -0.015 7.438 3.404 1.00 0.00 O ATOM 1630 CB VAL A 108 -2.682 5.640 3.261 1.00 0.00 C ATOM 1631 CG1 VAL A 108 -1.544 4.686 3.592 1.00 0.00 C ATOM 1632 CG2 VAL A 108 -3.992 5.149 3.859 1.00 0.00 C ATOM 0 H VAL A 108 -4.322 7.517 3.183 1.00 0.00 H new ATOM 0 HA VAL A 108 -2.112 7.017 4.824 1.00 0.00 H new ATOM 0 HB VAL A 108 -2.794 5.672 2.177 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -1.789 3.688 3.230 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -0.628 5.031 3.112 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -1.398 4.655 4.672 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -4.205 4.144 3.494 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -3.912 5.131 4.946 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -4.800 5.820 3.566 1.00 0.00 H new ATOM 1642 N LYS A 109 -1.436 8.248 1.861 1.00 0.00 N ATOM 1643 CA LYS A 109 -0.383 8.815 1.028 1.00 0.00 C ATOM 1644 C LYS A 109 0.326 9.956 1.751 1.00 0.00 C ATOM 1645 O LYS A 109 1.510 10.204 1.525 1.00 0.00 O ATOM 1646 CB LYS A 109 -0.965 9.319 -0.295 1.00 0.00 C ATOM 1647 CG LYS A 109 0.044 10.047 -1.166 1.00 0.00 C ATOM 1648 CD LYS A 109 -0.620 11.126 -2.005 1.00 0.00 C ATOM 1649 CE LYS A 109 -0.894 12.378 -1.187 1.00 0.00 C ATOM 1650 NZ LYS A 109 -0.885 13.605 -2.033 1.00 0.00 N ATOM 0 H LYS A 109 -2.380 8.392 1.502 1.00 0.00 H new ATOM 0 HA LYS A 109 0.345 8.030 0.821 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -1.368 8.472 -0.851 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -1.799 9.988 -0.084 1.00 0.00 H new ATOM 0 HG2 LYS A 109 0.813 10.496 -0.537 1.00 0.00 H new ATOM 0 HG3 LYS A 109 0.544 9.333 -1.820 1.00 0.00 H new ATOM 0 HD2 LYS A 109 0.020 11.376 -2.851 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -1.556 10.746 -2.415 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -1.861 12.285 -0.692 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -0.143 12.472 -0.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -1.076 14.437 -1.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 0.046 13.708 -2.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -1.619 13.527 -2.766 1.00 0.00 H new ATOM 1664 N GLU A 110 -0.405 10.647 2.619 1.00 0.00 N ATOM 1665 CA GLU A 110 0.155 11.761 3.374 1.00 0.00 C ATOM 1666 C GLU A 110 1.506 11.385 3.976 1.00 0.00 C ATOM 1667 O GLU A 110 2.465 12.153 3.905 1.00 0.00 O ATOM 1668 CB GLU A 110 -0.809 12.191 4.483 1.00 0.00 C ATOM 1669 CG GLU A 110 -2.223 12.449 3.993 1.00 0.00 C ATOM 1670 CD GLU A 110 -2.303 13.617 3.028 1.00 0.00 C ATOM 1671 OE1 GLU A 110 -1.236 14.120 2.615 1.00 0.00 O ATOM 1672 OE2 GLU A 110 -3.431 14.028 2.687 1.00 0.00 O ATOM 0 H GLU A 110 -1.387 10.455 2.817 1.00 0.00 H new ATOM 0 HA GLU A 110 0.302 12.595 2.688 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -0.835 11.418 5.251 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -0.426 13.096 4.955 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -2.603 11.552 3.504 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -2.870 12.644 4.848 1.00 0.00 H new ATOM 1679 N VAL A 111 1.572 10.198 4.571 1.00 0.00 N ATOM 1680 CA VAL A 111 2.804 9.718 5.185 1.00 0.00 C ATOM 1681 C VAL A 111 3.772 9.187 4.134 1.00 0.00 C ATOM 1682 O VAL A 111 4.977 9.435 4.203 1.00 0.00 O ATOM 1683 CB VAL A 111 2.522 8.607 6.214 1.00 0.00 C ATOM 1684 CG1 VAL A 111 3.824 8.047 6.766 1.00 0.00 C ATOM 1685 CG2 VAL A 111 1.640 9.133 7.338 1.00 0.00 C ATOM 0 H VAL A 111 0.786 9.551 4.641 1.00 0.00 H new ATOM 0 HA VAL A 111 3.256 10.569 5.694 1.00 0.00 H new ATOM 0 HB VAL A 111 1.990 7.799 5.713 1.00 0.00 H new ATOM 0 HG11 VAL A 111 3.605 7.263 7.491 1.00 0.00 H new ATOM 0 HG12 VAL A 111 4.416 7.631 5.951 1.00 0.00 H new ATOM 0 HG13 VAL A 111 4.386 8.844 7.252 1.00 0.00 H new ATOM 0 HG21 VAL A 111 1.451 8.335 8.056 1.00 0.00 H new ATOM 0 HG22 VAL A 111 2.143 9.960 7.839 1.00 0.00 H new ATOM 0 HG23 VAL A 111 0.693 9.481 6.925 1.00 0.00 H new ATOM 1695 N VAL A 112 3.239 8.458 3.160 1.00 0.00 N ATOM 1696 CA VAL A 112 4.055 7.894 2.093 1.00 0.00 C ATOM 1697 C VAL A 112 4.095 8.820 0.883 1.00 0.00 C ATOM 1698 O VAL A 112 3.186 8.814 0.054 1.00 0.00 O ATOM 1699 CB VAL A 112 3.529 6.515 1.651 1.00 0.00 C ATOM 1700 CG1 VAL A 112 4.336 5.985 0.477 1.00 0.00 C ATOM 1701 CG2 VAL A 112 3.560 5.536 2.816 1.00 0.00 C ATOM 0 H VAL A 112 2.244 8.244 3.088 1.00 0.00 H new ATOM 0 HA VAL A 112 5.062 7.779 2.494 1.00 0.00 H new ATOM 0 HB VAL A 112 2.494 6.627 1.327 1.00 0.00 H new ATOM 0 HG11 VAL A 112 3.949 5.010 0.180 1.00 0.00 H new ATOM 0 HG12 VAL A 112 4.257 6.678 -0.361 1.00 0.00 H new ATOM 0 HG13 VAL A 112 5.382 5.886 0.769 1.00 0.00 H new ATOM 0 HG21 VAL A 112 3.185 4.567 2.487 1.00 0.00 H new ATOM 0 HG22 VAL A 112 4.584 5.427 3.172 1.00 0.00 H new ATOM 0 HG23 VAL A 112 2.933 5.912 3.624 1.00 0.00 H new ATOM 1711 N GLN A 113 5.156 9.617 0.789 1.00 0.00 N ATOM 1712 CA GLN A 113 5.315 10.550 -0.320 1.00 0.00 C ATOM 1713 C GLN A 113 6.637 10.317 -1.043 1.00 0.00 C ATOM 1714 O GLN A 113 6.740 10.526 -2.251 1.00 0.00 O ATOM 1715 CB GLN A 113 5.243 11.992 0.185 1.00 0.00 C ATOM 1716 CG GLN A 113 4.065 12.254 1.110 1.00 0.00 C ATOM 1717 CD GLN A 113 3.646 13.711 1.121 1.00 0.00 C ATOM 1718 OE1 GLN A 113 4.446 14.602 0.832 1.00 0.00 O ATOM 1719 NE2 GLN A 113 2.385 13.962 1.456 1.00 0.00 N ATOM 0 H GLN A 113 5.917 9.635 1.468 1.00 0.00 H new ATOM 0 HA GLN A 113 4.502 10.378 -1.025 1.00 0.00 H new ATOM 0 HB2 GLN A 113 6.167 12.231 0.711 1.00 0.00 H new ATOM 0 HB3 GLN A 113 5.180 12.665 -0.670 1.00 0.00 H new ATOM 0 HG2 GLN A 113 3.220 11.639 0.800 1.00 0.00 H new ATOM 0 HG3 GLN A 113 4.328 11.947 2.123 1.00 0.00 H new ATOM 0 HE21 GLN A 113 1.756 13.193 1.688 1.00 0.00 H new ATOM 0 HE22 GLN A 113 2.046 14.924 1.481 1.00 0.00 H new ATOM 1728 N ASN A 114 7.646 9.884 -0.294 1.00 0.00 N ATOM 1729 CA ASN A 114 8.963 9.623 -0.865 1.00 0.00 C ATOM 1730 C ASN A 114 8.941 8.371 -1.736 1.00 0.00 C ATOM 1731 O ASN A 114 9.773 8.208 -2.629 1.00 0.00 O ATOM 1732 CB ASN A 114 10.001 9.466 0.248 1.00 0.00 C ATOM 1733 CG ASN A 114 11.423 9.489 -0.279 1.00 0.00 C ATOM 1734 OD1 ASN A 114 11.714 10.144 -1.280 1.00 0.00 O ATOM 1735 ND2 ASN A 114 12.315 8.772 0.393 1.00 0.00 N ATOM 0 H ASN A 114 7.577 9.707 0.708 1.00 0.00 H new ATOM 0 HA ASN A 114 9.236 10.473 -1.490 1.00 0.00 H new ATOM 0 HB2 ASN A 114 9.873 10.267 0.976 1.00 0.00 H new ATOM 0 HB3 ASN A 114 9.827 8.527 0.774 1.00 0.00 H new ATOM 0 HD21 ASN A 114 13.287 8.749 0.085 1.00 0.00 H new ATOM 0 HD22 ASN A 114 12.028 8.244 1.218 1.00 0.00 H new ATOM 1742 N PHE A 115 7.984 7.489 -1.470 1.00 0.00 N ATOM 1743 CA PHE A 115 7.852 6.250 -2.230 1.00 0.00 C ATOM 1744 C PHE A 115 7.796 6.534 -3.728 1.00 0.00 C ATOM 1745 O PHE A 115 8.040 7.658 -4.167 1.00 0.00 O ATOM 1746 CB PHE A 115 6.597 5.492 -1.795 1.00 0.00 C ATOM 1747 CG PHE A 115 5.364 5.886 -2.558 1.00 0.00 C ATOM 1748 CD1 PHE A 115 5.241 7.157 -3.094 1.00 0.00 C ATOM 1749 CD2 PHE A 115 4.329 4.983 -2.741 1.00 0.00 C ATOM 1750 CE1 PHE A 115 4.109 7.522 -3.797 1.00 0.00 C ATOM 1751 CE2 PHE A 115 3.194 5.343 -3.443 1.00 0.00 C ATOM 1752 CZ PHE A 115 3.084 6.613 -3.971 1.00 0.00 C ATOM 0 H PHE A 115 7.288 7.608 -0.734 1.00 0.00 H new ATOM 0 HA PHE A 115 8.728 5.634 -2.028 1.00 0.00 H new ATOM 0 HB2 PHE A 115 6.766 4.423 -1.921 1.00 0.00 H new ATOM 0 HB3 PHE A 115 6.428 5.665 -0.732 1.00 0.00 H new ATOM 0 HD1 PHE A 115 6.040 7.872 -2.961 1.00 0.00 H new ATOM 0 HD2 PHE A 115 4.410 3.987 -2.331 1.00 0.00 H new ATOM 0 HE1 PHE A 115 4.026 8.517 -4.210 1.00 0.00 H new ATOM 0 HE2 PHE A 115 2.394 4.631 -3.578 1.00 0.00 H new ATOM 0 HZ PHE A 115 2.198 6.896 -4.520 1.00 0.00 H new ATOM 1762 N ALA A 116 7.474 5.507 -4.506 1.00 0.00 N ATOM 1763 CA ALA A 116 7.384 5.645 -5.955 1.00 0.00 C ATOM 1764 C ALA A 116 5.960 5.978 -6.387 1.00 0.00 C ATOM 1765 O ALA A 116 5.685 7.082 -6.858 1.00 0.00 O ATOM 1766 CB ALA A 116 7.862 4.371 -6.637 1.00 0.00 C ATOM 0 H ALA A 116 7.271 4.570 -4.158 1.00 0.00 H new ATOM 0 HA ALA A 116 8.029 6.470 -6.258 1.00 0.00 H new ATOM 0 HB1 ALA A 116 7.789 4.488 -7.718 1.00 0.00 H new ATOM 0 HB2 ALA A 116 8.899 4.178 -6.362 1.00 0.00 H new ATOM 0 HB3 ALA A 116 7.241 3.533 -6.320 1.00 0.00 H new ATOM 1772 N LYS A 117 5.059 5.015 -6.226 1.00 0.00 N ATOM 1773 CA LYS A 117 3.661 5.206 -6.599 1.00 0.00 C ATOM 1774 C LYS A 117 2.774 4.152 -5.942 1.00 0.00 C ATOM 1775 O LYS A 117 3.259 3.117 -5.487 1.00 0.00 O ATOM 1776 CB LYS A 117 3.505 5.141 -8.120 1.00 0.00 C ATOM 1777 CG LYS A 117 2.156 4.607 -8.571 1.00 0.00 C ATOM 1778 CD LYS A 117 2.155 4.280 -10.054 1.00 0.00 C ATOM 1779 CE LYS A 117 0.815 3.712 -10.498 1.00 0.00 C ATOM 1780 NZ LYS A 117 0.843 3.268 -11.919 1.00 0.00 N ATOM 0 H LYS A 117 5.271 4.095 -5.840 1.00 0.00 H new ATOM 0 HA LYS A 117 3.348 6.190 -6.249 1.00 0.00 H new ATOM 0 HB2 LYS A 117 3.648 6.139 -8.534 1.00 0.00 H new ATOM 0 HB3 LYS A 117 4.292 4.509 -8.531 1.00 0.00 H new ATOM 0 HG2 LYS A 117 1.908 3.712 -8.000 1.00 0.00 H new ATOM 0 HG3 LYS A 117 1.382 5.345 -8.359 1.00 0.00 H new ATOM 0 HD2 LYS A 117 2.378 5.180 -10.627 1.00 0.00 H new ATOM 0 HD3 LYS A 117 2.946 3.561 -10.270 1.00 0.00 H new ATOM 0 HE2 LYS A 117 0.548 2.870 -9.860 1.00 0.00 H new ATOM 0 HE3 LYS A 117 0.040 4.467 -10.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -0.088 2.888 -12.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 1.072 4.077 -12.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 1.565 2.529 -12.038 1.00 0.00 H new ATOM 1794 N GLU A 118 1.474 4.425 -5.897 1.00 0.00 N ATOM 1795 CA GLU A 118 0.521 3.500 -5.295 1.00 0.00 C ATOM 1796 C GLU A 118 0.115 2.415 -6.288 1.00 0.00 C ATOM 1797 O GLU A 118 -0.190 2.701 -7.447 1.00 0.00 O ATOM 1798 CB GLU A 118 -0.719 4.254 -4.810 1.00 0.00 C ATOM 1799 CG GLU A 118 -1.426 5.032 -5.908 1.00 0.00 C ATOM 1800 CD GLU A 118 -2.924 5.118 -5.689 1.00 0.00 C ATOM 1801 OE1 GLU A 118 -3.387 4.730 -4.596 1.00 0.00 O ATOM 1802 OE2 GLU A 118 -3.633 5.573 -6.612 1.00 0.00 O ATOM 0 H GLU A 118 1.057 5.278 -6.270 1.00 0.00 H new ATOM 0 HA GLU A 118 1.004 3.024 -4.442 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -1.419 3.542 -4.372 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -0.428 4.943 -4.017 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -1.012 6.039 -5.959 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -1.230 4.557 -6.869 1.00 0.00 H new ATOM 1809 N PHE A 119 0.113 1.169 -5.827 1.00 0.00 N ATOM 1810 CA PHE A 119 -0.254 0.040 -6.674 1.00 0.00 C ATOM 1811 C PHE A 119 -1.610 -0.528 -6.266 1.00 0.00 C ATOM 1812 O PHE A 119 -1.713 -1.286 -5.301 1.00 0.00 O ATOM 1813 CB PHE A 119 0.814 -1.052 -6.595 1.00 0.00 C ATOM 1814 CG PHE A 119 2.017 -0.778 -7.453 1.00 0.00 C ATOM 1815 CD1 PHE A 119 2.457 0.520 -7.657 1.00 0.00 C ATOM 1816 CD2 PHE A 119 2.707 -1.818 -8.054 1.00 0.00 C ATOM 1817 CE1 PHE A 119 3.563 0.775 -8.445 1.00 0.00 C ATOM 1818 CE2 PHE A 119 3.814 -1.569 -8.843 1.00 0.00 C ATOM 1819 CZ PHE A 119 4.243 -0.270 -9.038 1.00 0.00 C ATOM 0 H PHE A 119 0.362 0.915 -4.871 1.00 0.00 H new ATOM 0 HA PHE A 119 -0.324 0.396 -7.702 1.00 0.00 H new ATOM 0 HB2 PHE A 119 1.134 -1.162 -5.559 1.00 0.00 H new ATOM 0 HB3 PHE A 119 0.373 -2.003 -6.895 1.00 0.00 H new ATOM 0 HD1 PHE A 119 1.930 1.341 -7.195 1.00 0.00 H new ATOM 0 HD2 PHE A 119 2.376 -2.835 -7.904 1.00 0.00 H new ATOM 0 HE1 PHE A 119 3.895 1.791 -8.597 1.00 0.00 H new ATOM 0 HE2 PHE A 119 4.343 -2.389 -9.307 1.00 0.00 H new ATOM 0 HZ PHE A 119 5.109 -0.073 -9.653 1.00 0.00 H new ATOM 1829 N VAL A 120 -2.648 -0.155 -7.006 1.00 0.00 N ATOM 1830 CA VAL A 120 -3.998 -0.628 -6.723 1.00 0.00 C ATOM 1831 C VAL A 120 -4.228 -2.017 -7.305 1.00 0.00 C ATOM 1832 O VAL A 120 -4.487 -2.166 -8.499 1.00 0.00 O ATOM 1833 CB VAL A 120 -5.059 0.336 -7.288 1.00 0.00 C ATOM 1834 CG1 VAL A 120 -6.459 -0.197 -7.021 1.00 0.00 C ATOM 1835 CG2 VAL A 120 -4.887 1.725 -6.695 1.00 0.00 C ATOM 0 H VAL A 120 -2.581 0.474 -7.806 1.00 0.00 H new ATOM 0 HA VAL A 120 -4.097 -0.672 -5.638 1.00 0.00 H new ATOM 0 HB VAL A 120 -4.922 0.408 -8.367 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -7.196 0.496 -7.427 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -6.575 -1.170 -7.498 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -6.610 -0.300 -5.946 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -5.645 2.392 -7.106 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -4.997 1.674 -5.612 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -3.896 2.106 -6.942 1.00 0.00 H new ATOM 1845 N ILE A 121 -4.133 -3.033 -6.453 1.00 0.00 N ATOM 1846 CA ILE A 121 -4.331 -4.411 -6.883 1.00 0.00 C ATOM 1847 C ILE A 121 -5.547 -5.030 -6.200 1.00 0.00 C ATOM 1848 O ILE A 121 -5.808 -4.774 -5.024 1.00 0.00 O ATOM 1849 CB ILE A 121 -3.094 -5.277 -6.585 1.00 0.00 C ATOM 1850 CG1 ILE A 121 -1.835 -4.621 -7.157 1.00 0.00 C ATOM 1851 CG2 ILE A 121 -3.275 -6.675 -7.159 1.00 0.00 C ATOM 1852 CD1 ILE A 121 -0.568 -5.005 -6.425 1.00 0.00 C ATOM 0 H ILE A 121 -3.920 -2.927 -5.461 1.00 0.00 H new ATOM 0 HA ILE A 121 -4.495 -4.385 -7.960 1.00 0.00 H new ATOM 0 HB ILE A 121 -2.980 -5.360 -5.504 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -1.736 -4.897 -8.207 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -1.951 -3.538 -7.122 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -2.392 -7.275 -6.940 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -4.152 -7.142 -6.710 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -3.411 -6.610 -8.239 1.00 0.00 H new ATOM 0 HD11 ILE A 121 0.284 -4.503 -6.884 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -0.646 -4.704 -5.380 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -0.428 -6.084 -6.482 1.00 0.00 H new ATOM 1864 N SER A 122 -6.287 -5.845 -6.945 1.00 0.00 N ATOM 1865 CA SER A 122 -7.476 -6.499 -6.413 1.00 0.00 C ATOM 1866 C SER A 122 -7.328 -8.017 -6.459 1.00 0.00 C ATOM 1867 O SER A 122 -8.071 -8.744 -5.801 1.00 0.00 O ATOM 1868 CB SER A 122 -8.715 -6.072 -7.203 1.00 0.00 C ATOM 1869 OG SER A 122 -9.882 -6.699 -6.698 1.00 0.00 O ATOM 0 H SER A 122 -6.084 -6.068 -7.919 1.00 0.00 H new ATOM 0 HA SER A 122 -7.594 -6.194 -5.373 1.00 0.00 H new ATOM 0 HB2 SER A 122 -8.828 -4.989 -7.151 1.00 0.00 H new ATOM 0 HB3 SER A 122 -8.586 -6.329 -8.254 1.00 0.00 H new ATOM 0 HG SER A 122 -9.819 -6.770 -5.723 1.00 0.00 H new ATOM 1875 N ASP A 123 -6.363 -8.488 -7.242 1.00 0.00 N ATOM 1876 CA ASP A 123 -6.115 -9.918 -7.374 1.00 0.00 C ATOM 1877 C ASP A 123 -4.736 -10.283 -6.833 1.00 0.00 C ATOM 1878 O ASP A 123 -3.727 -9.699 -7.230 1.00 0.00 O ATOM 1879 CB ASP A 123 -6.231 -10.344 -8.838 1.00 0.00 C ATOM 1880 CG ASP A 123 -6.703 -11.777 -8.989 1.00 0.00 C ATOM 1881 OD1 ASP A 123 -7.488 -12.236 -8.132 1.00 0.00 O ATOM 1882 OD2 ASP A 123 -6.289 -12.439 -9.962 1.00 0.00 O ATOM 0 H ASP A 123 -5.740 -7.899 -7.795 1.00 0.00 H new ATOM 0 HA ASP A 123 -6.867 -10.448 -6.789 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -6.925 -9.680 -9.353 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -5.262 -10.231 -9.324 1.00 0.00 H new ATOM 1887 N ARG A 124 -4.699 -11.251 -5.923 1.00 0.00 N ATOM 1888 CA ARG A 124 -3.445 -11.693 -5.326 1.00 0.00 C ATOM 1889 C ARG A 124 -2.422 -12.038 -6.404 1.00 0.00 C ATOM 1890 O ARG A 124 -1.228 -11.779 -6.249 1.00 0.00 O ATOM 1891 CB ARG A 124 -3.683 -12.907 -4.426 1.00 0.00 C ATOM 1892 CG ARG A 124 -4.484 -12.589 -3.174 1.00 0.00 C ATOM 1893 CD ARG A 124 -4.435 -13.734 -2.175 1.00 0.00 C ATOM 1894 NE ARG A 124 -5.344 -14.817 -2.538 1.00 0.00 N ATOM 1895 CZ ARG A 124 -5.021 -15.800 -3.372 1.00 0.00 C ATOM 1896 NH1 ARG A 124 -3.817 -15.834 -3.926 1.00 0.00 N ATOM 1897 NH2 ARG A 124 -5.903 -16.750 -3.653 1.00 0.00 N ATOM 0 H ARG A 124 -5.524 -11.744 -5.583 1.00 0.00 H new ATOM 0 HA ARG A 124 -3.051 -10.875 -4.723 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -4.206 -13.675 -4.996 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -2.720 -13.327 -4.134 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -4.092 -11.683 -2.711 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -5.520 -12.386 -3.445 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -3.417 -14.120 -2.116 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -4.693 -13.361 -1.184 1.00 0.00 H new ATOM 0 HE ARG A 124 -6.278 -14.819 -2.129 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -3.137 -15.105 -3.712 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -3.571 -16.589 -4.566 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -6.830 -16.727 -3.229 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -5.654 -17.504 -4.293 1.00 0.00 H new ATOM 1911 N LYS A 125 -2.897 -12.625 -7.497 1.00 0.00 N ATOM 1912 CA LYS A 125 -2.025 -13.005 -8.602 1.00 0.00 C ATOM 1913 C LYS A 125 -1.188 -11.819 -9.069 1.00 0.00 C ATOM 1914 O LYS A 125 -0.195 -11.989 -9.776 1.00 0.00 O ATOM 1915 CB LYS A 125 -2.853 -13.549 -9.769 1.00 0.00 C ATOM 1916 CG LYS A 125 -2.112 -14.565 -10.620 1.00 0.00 C ATOM 1917 CD LYS A 125 -2.209 -15.962 -10.030 1.00 0.00 C ATOM 1918 CE LYS A 125 -3.638 -16.483 -10.062 1.00 0.00 C ATOM 1919 NZ LYS A 125 -3.686 -17.971 -10.087 1.00 0.00 N ATOM 0 H LYS A 125 -3.882 -12.848 -7.641 1.00 0.00 H new ATOM 0 HA LYS A 125 -1.351 -13.785 -8.247 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -3.760 -14.009 -9.376 1.00 0.00 H new ATOM 0 HB3 LYS A 125 -3.165 -12.717 -10.401 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -2.524 -14.566 -11.629 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -1.064 -14.276 -10.704 1.00 0.00 H new ATOM 0 HD2 LYS A 125 -1.561 -16.639 -10.587 1.00 0.00 H new ATOM 0 HD3 LYS A 125 -1.848 -15.950 -9.002 1.00 0.00 H new ATOM 0 HE2 LYS A 125 -4.177 -16.117 -9.188 1.00 0.00 H new ATOM 0 HE3 LYS A 125 -4.149 -16.088 -10.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 -4.677 -18.286 -10.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 -3.193 -18.320 -10.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 -3.221 -18.348 -9.236 1.00 0.00 H new ATOM 1933 N GLU A 126 -1.594 -10.619 -8.667 1.00 0.00 N ATOM 1934 CA GLU A 126 -0.880 -9.405 -9.044 1.00 0.00 C ATOM 1935 C GLU A 126 -0.035 -8.888 -7.883 1.00 0.00 C ATOM 1936 O GLU A 126 0.860 -8.064 -8.071 1.00 0.00 O ATOM 1937 CB GLU A 126 -1.866 -8.325 -9.493 1.00 0.00 C ATOM 1938 CG GLU A 126 -2.408 -8.540 -10.896 1.00 0.00 C ATOM 1939 CD GLU A 126 -2.749 -7.239 -11.595 1.00 0.00 C ATOM 1940 OE1 GLU A 126 -3.590 -6.483 -11.064 1.00 0.00 O ATOM 1941 OE2 GLU A 126 -2.176 -6.976 -12.673 1.00 0.00 O ATOM 0 H GLU A 126 -2.413 -10.462 -8.080 1.00 0.00 H new ATOM 0 HA GLU A 126 -0.216 -9.647 -9.874 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -2.700 -8.292 -8.792 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -1.373 -7.354 -9.448 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -1.671 -9.083 -11.487 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -3.299 -9.165 -10.845 1.00 0.00 H new ATOM 1948 N LEU A 127 -0.328 -9.377 -6.682 1.00 0.00 N ATOM 1949 CA LEU A 127 0.403 -8.964 -5.489 1.00 0.00 C ATOM 1950 C LEU A 127 1.830 -9.503 -5.512 1.00 0.00 C ATOM 1951 O LEU A 127 2.672 -9.089 -4.717 1.00 0.00 O ATOM 1952 CB LEU A 127 -0.319 -9.450 -4.230 1.00 0.00 C ATOM 1953 CG LEU A 127 -1.418 -8.520 -3.715 1.00 0.00 C ATOM 1954 CD1 LEU A 127 -0.811 -7.321 -3.002 1.00 0.00 C ATOM 1955 CD2 LEU A 127 -2.310 -8.066 -4.860 1.00 0.00 C ATOM 0 H LEU A 127 -1.066 -10.059 -6.509 1.00 0.00 H new ATOM 0 HA LEU A 127 0.446 -7.875 -5.477 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -0.757 -10.427 -4.435 1.00 0.00 H new ATOM 0 HB3 LEU A 127 0.417 -9.591 -3.439 1.00 0.00 H new ATOM 0 HG LEU A 127 -2.029 -9.071 -3.000 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -1.608 -6.670 -2.642 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -0.213 -7.664 -2.157 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -0.176 -6.769 -3.695 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -3.087 -7.405 -4.476 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -1.711 -7.532 -5.598 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -2.772 -8.935 -5.328 1.00 0.00 H new ATOM 1967 N GLU A 128 2.092 -10.431 -6.429 1.00 0.00 N ATOM 1968 CA GLU A 128 3.416 -11.027 -6.554 1.00 0.00 C ATOM 1969 C GLU A 128 4.494 -9.949 -6.619 1.00 0.00 C ATOM 1970 O GLU A 128 4.681 -9.306 -7.651 1.00 0.00 O ATOM 1971 CB GLU A 128 3.486 -11.910 -7.802 1.00 0.00 C ATOM 1972 CG GLU A 128 2.317 -12.872 -7.932 1.00 0.00 C ATOM 1973 CD GLU A 128 2.684 -14.137 -8.683 1.00 0.00 C ATOM 1974 OE1 GLU A 128 3.325 -14.029 -9.749 1.00 0.00 O ATOM 1975 OE2 GLU A 128 2.331 -15.236 -8.205 1.00 0.00 O ATOM 0 H GLU A 128 1.405 -10.785 -7.095 1.00 0.00 H new ATOM 0 HA GLU A 128 3.595 -11.642 -5.672 1.00 0.00 H new ATOM 0 HB2 GLU A 128 3.522 -11.273 -8.686 1.00 0.00 H new ATOM 0 HB3 GLU A 128 4.415 -12.480 -7.782 1.00 0.00 H new ATOM 0 HG2 GLU A 128 1.956 -13.136 -6.938 1.00 0.00 H new ATOM 0 HG3 GLU A 128 1.496 -12.373 -8.447 1.00 0.00 H new ATOM 1982 N GLU A 129 5.201 -9.759 -5.509 1.00 0.00 N ATOM 1983 CA GLU A 129 6.259 -8.758 -5.440 1.00 0.00 C ATOM 1984 C GLU A 129 7.015 -8.674 -6.763 1.00 0.00 C ATOM 1985 O GLU A 129 7.367 -7.586 -7.220 1.00 0.00 O ATOM 1986 CB GLU A 129 7.231 -9.089 -4.305 1.00 0.00 C ATOM 1987 CG GLU A 129 8.571 -8.385 -4.427 1.00 0.00 C ATOM 1988 CD GLU A 129 9.592 -9.202 -5.196 1.00 0.00 C ATOM 1989 OE1 GLU A 129 9.558 -10.446 -5.088 1.00 0.00 O ATOM 1990 OE2 GLU A 129 10.424 -8.599 -5.905 1.00 0.00 O ATOM 0 H GLU A 129 5.060 -10.285 -4.646 1.00 0.00 H new ATOM 0 HA GLU A 129 5.797 -7.791 -5.243 1.00 0.00 H new ATOM 0 HB2 GLU A 129 6.772 -8.817 -3.354 1.00 0.00 H new ATOM 0 HB3 GLU A 129 7.397 -10.166 -4.282 1.00 0.00 H new ATOM 0 HG2 GLU A 129 8.429 -7.426 -4.925 1.00 0.00 H new ATOM 0 HG3 GLU A 129 8.958 -8.173 -3.430 1.00 0.00 H new ATOM 1997 N ASP A 130 7.260 -9.827 -7.373 1.00 0.00 N ATOM 1998 CA ASP A 130 7.973 -9.885 -8.644 1.00 0.00 C ATOM 1999 C ASP A 130 7.302 -8.992 -9.683 1.00 0.00 C ATOM 2000 O ASP A 130 7.970 -8.241 -10.395 1.00 0.00 O ATOM 2001 CB ASP A 130 8.034 -11.326 -9.154 1.00 0.00 C ATOM 2002 CG ASP A 130 9.157 -12.119 -8.512 1.00 0.00 C ATOM 2003 OD1 ASP A 130 10.273 -11.574 -8.387 1.00 0.00 O ATOM 2004 OD2 ASP A 130 8.918 -13.285 -8.135 1.00 0.00 O ATOM 0 H ASP A 130 6.975 -10.736 -7.008 1.00 0.00 H new ATOM 0 HA ASP A 130 8.988 -9.523 -8.481 1.00 0.00 H new ATOM 0 HB2 ASP A 130 7.083 -11.820 -8.954 1.00 0.00 H new ATOM 0 HB3 ASP A 130 8.169 -11.320 -10.236 1.00 0.00 H new ATOM 2009 N PHE A 131 5.979 -9.081 -9.766 1.00 0.00 N ATOM 2010 CA PHE A 131 5.218 -8.283 -10.720 1.00 0.00 C ATOM 2011 C PHE A 131 5.361 -6.793 -10.420 1.00 0.00 C ATOM 2012 O PHE A 131 5.411 -5.968 -11.333 1.00 0.00 O ATOM 2013 CB PHE A 131 3.741 -8.681 -10.688 1.00 0.00 C ATOM 2014 CG PHE A 131 2.872 -7.835 -11.574 1.00 0.00 C ATOM 2015 CD1 PHE A 131 3.142 -7.723 -12.929 1.00 0.00 C ATOM 2016 CD2 PHE A 131 1.785 -7.152 -11.052 1.00 0.00 C ATOM 2017 CE1 PHE A 131 2.344 -6.945 -13.745 1.00 0.00 C ATOM 2018 CE2 PHE A 131 0.983 -6.373 -11.864 1.00 0.00 C ATOM 2019 CZ PHE A 131 1.263 -6.270 -13.213 1.00 0.00 C ATOM 0 H PHE A 131 5.412 -9.698 -9.184 1.00 0.00 H new ATOM 0 HA PHE A 131 5.618 -8.476 -11.716 1.00 0.00 H new ATOM 0 HB2 PHE A 131 3.648 -9.724 -10.990 1.00 0.00 H new ATOM 0 HB3 PHE A 131 3.377 -8.612 -9.663 1.00 0.00 H new ATOM 0 HD1 PHE A 131 3.985 -8.250 -13.351 1.00 0.00 H new ATOM 0 HD2 PHE A 131 1.562 -7.230 -9.998 1.00 0.00 H new ATOM 0 HE1 PHE A 131 2.565 -6.865 -14.799 1.00 0.00 H new ATOM 0 HE2 PHE A 131 0.139 -5.846 -11.445 1.00 0.00 H new ATOM 0 HZ PHE A 131 0.638 -5.663 -13.850 1.00 0.00 H new ATOM 2029 N ILE A 132 5.426 -6.459 -9.136 1.00 0.00 N ATOM 2030 CA ILE A 132 5.563 -5.069 -8.715 1.00 0.00 C ATOM 2031 C ILE A 132 6.860 -4.463 -9.239 1.00 0.00 C ATOM 2032 O ILE A 132 6.877 -3.332 -9.726 1.00 0.00 O ATOM 2033 CB ILE A 132 5.532 -4.941 -7.181 1.00 0.00 C ATOM 2034 CG1 ILE A 132 4.313 -5.668 -6.612 1.00 0.00 C ATOM 2035 CG2 ILE A 132 5.520 -3.475 -6.774 1.00 0.00 C ATOM 2036 CD1 ILE A 132 2.996 -5.015 -6.972 1.00 0.00 C ATOM 0 H ILE A 132 5.386 -7.130 -8.369 1.00 0.00 H new ATOM 0 HA ILE A 132 4.716 -4.526 -9.134 1.00 0.00 H new ATOM 0 HB ILE A 132 6.430 -5.404 -6.773 1.00 0.00 H new ATOM 0 HG12 ILE A 132 4.311 -6.696 -6.975 1.00 0.00 H new ATOM 0 HG13 ILE A 132 4.402 -5.714 -5.527 1.00 0.00 H new ATOM 0 HG21 ILE A 132 5.498 -3.399 -5.687 1.00 0.00 H new ATOM 0 HG22 ILE A 132 6.416 -2.985 -7.154 1.00 0.00 H new ATOM 0 HG23 ILE A 132 4.637 -2.989 -7.189 1.00 0.00 H new ATOM 0 HD11 ILE A 132 2.176 -5.585 -6.535 1.00 0.00 H new ATOM 0 HD12 ILE A 132 2.977 -3.996 -6.585 1.00 0.00 H new ATOM 0 HD13 ILE A 132 2.885 -4.993 -8.056 1.00 0.00 H new ATOM 2048 N ARG A 133 7.945 -5.222 -9.139 1.00 0.00 N ATOM 2049 CA ARG A 133 9.248 -4.760 -9.603 1.00 0.00 C ATOM 2050 C ARG A 133 9.168 -4.268 -11.045 1.00 0.00 C ATOM 2051 O ARG A 133 9.466 -3.110 -11.334 1.00 0.00 O ATOM 2052 CB ARG A 133 10.281 -5.883 -9.492 1.00 0.00 C ATOM 2053 CG ARG A 133 10.278 -6.582 -8.143 1.00 0.00 C ATOM 2054 CD ARG A 133 10.471 -5.595 -7.003 1.00 0.00 C ATOM 2055 NE ARG A 133 11.837 -5.082 -6.949 1.00 0.00 N ATOM 2056 CZ ARG A 133 12.805 -5.644 -6.234 1.00 0.00 C ATOM 2057 NH1 ARG A 133 12.558 -6.732 -5.517 1.00 0.00 N ATOM 2058 NH2 ARG A 133 14.024 -5.119 -6.235 1.00 0.00 N ATOM 0 H ARG A 133 7.948 -6.161 -8.740 1.00 0.00 H new ATOM 0 HA ARG A 133 9.557 -3.928 -8.970 1.00 0.00 H new ATOM 0 HB2 ARG A 133 10.091 -6.619 -10.273 1.00 0.00 H new ATOM 0 HB3 ARG A 133 11.273 -5.472 -9.676 1.00 0.00 H new ATOM 0 HG2 ARG A 133 9.336 -7.114 -8.010 1.00 0.00 H new ATOM 0 HG3 ARG A 133 11.072 -7.329 -8.117 1.00 0.00 H new ATOM 0 HD2 ARG A 133 9.776 -4.764 -7.122 1.00 0.00 H new ATOM 0 HD3 ARG A 133 10.229 -6.081 -6.058 1.00 0.00 H new ATOM 0 HE ARG A 133 12.060 -4.246 -7.490 1.00 0.00 H new ATOM 0 HH11 ARG A 133 11.623 -7.139 -5.514 1.00 0.00 H new ATOM 0 HH12 ARG A 133 13.303 -7.162 -4.969 1.00 0.00 H new ATOM 0 HH21 ARG A 133 14.219 -4.283 -6.785 1.00 0.00 H new ATOM 0 HH22 ARG A 133 14.766 -5.552 -5.685 1.00 0.00 H new ATOM 2072 N SER A 134 8.764 -5.158 -11.947 1.00 0.00 N ATOM 2073 CA SER A 134 8.649 -4.817 -13.360 1.00 0.00 C ATOM 2074 C SER A 134 8.055 -3.422 -13.535 1.00 0.00 C ATOM 2075 O SER A 134 8.522 -2.637 -14.359 1.00 0.00 O ATOM 2076 CB SER A 134 7.784 -5.847 -14.086 1.00 0.00 C ATOM 2077 OG SER A 134 7.301 -5.333 -15.315 1.00 0.00 O ATOM 0 H SER A 134 8.511 -6.121 -11.724 1.00 0.00 H new ATOM 0 HA SER A 134 9.649 -4.824 -13.793 1.00 0.00 H new ATOM 0 HB2 SER A 134 8.366 -6.750 -14.270 1.00 0.00 H new ATOM 0 HB3 SER A 134 6.944 -6.132 -13.452 1.00 0.00 H new ATOM 0 HG SER A 134 6.752 -6.012 -15.760 1.00 0.00 H new ATOM 2083 N GLU A 135 7.022 -3.125 -12.753 1.00 0.00 N ATOM 2084 CA GLU A 135 6.363 -1.825 -12.823 1.00 0.00 C ATOM 2085 C GLU A 135 7.299 -0.714 -12.358 1.00 0.00 C ATOM 2086 O GLU A 135 7.685 0.155 -13.138 1.00 0.00 O ATOM 2087 CB GLU A 135 5.092 -1.826 -11.970 1.00 0.00 C ATOM 2088 CG GLU A 135 4.042 -2.816 -12.445 1.00 0.00 C ATOM 2089 CD GLU A 135 3.305 -2.337 -13.681 1.00 0.00 C ATOM 2090 OE1 GLU A 135 2.317 -1.589 -13.531 1.00 0.00 O ATOM 2091 OE2 GLU A 135 3.720 -2.710 -14.799 1.00 0.00 O ATOM 0 H GLU A 135 6.624 -3.765 -12.065 1.00 0.00 H new ATOM 0 HA GLU A 135 6.095 -1.639 -13.863 1.00 0.00 H new ATOM 0 HB2 GLU A 135 5.357 -2.057 -10.938 1.00 0.00 H new ATOM 0 HB3 GLU A 135 4.662 -0.824 -11.972 1.00 0.00 H new ATOM 0 HG2 GLU A 135 4.520 -3.772 -12.659 1.00 0.00 H new ATOM 0 HG3 GLU A 135 3.324 -2.991 -11.644 1.00 0.00 H new