USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 523 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 71 THR OG1 : rot 13:sc= -1.34! USER MOD Set 1.2: A 89 SER OG : rot -142:sc= -3.74! USER MOD Set 2.1: A 14 THR OG1 : rot -148:sc= 0.994 USER MOD Set 2.2: A 17 SER OG : rot -95:sc= 0.521 USER MOD Single : A 16 THR OG1 : rot -78:sc= 0.204 USER MOD Single : A 21 SER OG : rot -120:sc= -1.52 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -12:sc= -0.44! USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN :FLIP amide:sc= -2.42! C(o=-4.5!,f=-2.4!) USER MOD Single : A 49 THR OG1 : rot 25:sc= 0.888 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -161:sc= -0.301 (180deg=-0.97) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.477 USER MOD Single : A 60 SER OG : rot -54:sc= 0.381 USER MOD Single : A 63 LYS NZ :NH3+ 144:sc= 0 (180deg=-0.0346) USER MOD Single : A 68 TYR OH : rot 180:sc= -0.798 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.0874 USER MOD Single : A 91 ASN : amide:sc= -1.48! C(o=-1.5!,f=-4.2!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= -0.469 USER MOD ----------------------------------------------------------------- ATOM 108 N LEU A 8 8.248 2.185 -7.073 1.00 0.00 N ATOM 109 CA LEU A 8 7.671 0.992 -6.411 1.00 0.00 C ATOM 110 C LEU A 8 8.771 0.008 -6.025 1.00 0.00 C ATOM 111 O LEU A 8 9.752 -0.135 -6.728 1.00 0.00 O ATOM 112 CB LEU A 8 6.716 0.299 -7.403 1.00 0.00 C ATOM 113 CG LEU A 8 5.760 1.334 -8.006 1.00 0.00 C ATOM 114 CD1 LEU A 8 6.060 1.489 -9.499 1.00 0.00 C ATOM 115 CD2 LEU A 8 4.318 0.853 -7.831 1.00 0.00 C ATOM 0 HA LEU A 8 7.143 1.303 -5.510 1.00 0.00 H new ATOM 0 HB2 LEU A 8 7.287 -0.187 -8.194 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.150 -0.481 -6.894 1.00 0.00 H new ATOM 0 HG LEU A 8 5.892 2.291 -7.502 1.00 0.00 H new ATOM 0 HD11 LEU A 8 5.382 2.225 -9.932 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.089 1.823 -9.631 1.00 0.00 H new ATOM 0 HD13 LEU A 8 5.923 0.530 -9.999 1.00 0.00 H new ATOM 0 HD21 LEU A 8 3.635 1.587 -8.259 1.00 0.00 H new ATOM 0 HD22 LEU A 8 4.189 -0.102 -8.340 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.101 0.731 -6.770 1.00 0.00 H new ATOM 127 N GLU A 9 8.592 -0.653 -4.914 1.00 0.00 N ATOM 128 CA GLU A 9 9.623 -1.629 -4.474 1.00 0.00 C ATOM 129 C GLU A 9 9.038 -2.626 -3.481 1.00 0.00 C ATOM 130 O GLU A 9 8.238 -2.268 -2.632 1.00 0.00 O ATOM 131 CB GLU A 9 10.764 -0.854 -3.785 1.00 0.00 C ATOM 132 CG GLU A 9 12.117 -1.408 -4.252 1.00 0.00 C ATOM 133 CD GLU A 9 12.262 -2.858 -3.783 1.00 0.00 C ATOM 134 OE1 GLU A 9 11.935 -3.091 -2.631 1.00 0.00 O ATOM 135 OE2 GLU A 9 12.697 -3.651 -4.604 1.00 0.00 O ATOM 0 H GLU A 9 7.784 -0.560 -4.299 1.00 0.00 H new ATOM 0 HA GLU A 9 9.989 -2.176 -5.343 1.00 0.00 H new ATOM 0 HB2 GLU A 9 10.692 0.207 -4.023 1.00 0.00 H new ATOM 0 HB3 GLU A 9 10.677 -0.944 -2.702 1.00 0.00 H new ATOM 0 HG2 GLU A 9 12.188 -1.357 -5.338 1.00 0.00 H new ATOM 0 HG3 GLU A 9 12.929 -0.801 -3.851 1.00 0.00 H new ATOM 142 N VAL A 10 9.443 -3.861 -3.608 1.00 0.00 N ATOM 143 CA VAL A 10 8.925 -4.900 -2.683 1.00 0.00 C ATOM 144 C VAL A 10 9.646 -4.824 -1.341 1.00 0.00 C ATOM 145 O VAL A 10 10.810 -5.157 -1.242 1.00 0.00 O ATOM 146 CB VAL A 10 9.187 -6.283 -3.306 1.00 0.00 C ATOM 147 CG1 VAL A 10 8.611 -7.365 -2.388 1.00 0.00 C ATOM 148 CG2 VAL A 10 8.502 -6.363 -4.674 1.00 0.00 C ATOM 0 H VAL A 10 10.106 -4.191 -4.309 1.00 0.00 H new ATOM 0 HA VAL A 10 7.859 -4.740 -2.524 1.00 0.00 H new ATOM 0 HB VAL A 10 10.260 -6.434 -3.426 1.00 0.00 H new ATOM 0 HG11 VAL A 10 8.794 -8.347 -2.824 1.00 0.00 H new ATOM 0 HG12 VAL A 10 9.091 -7.307 -1.411 1.00 0.00 H new ATOM 0 HG13 VAL A 10 7.538 -7.212 -2.274 1.00 0.00 H new ATOM 0 HG21 VAL A 10 8.687 -7.342 -5.117 1.00 0.00 H new ATOM 0 HG22 VAL A 10 7.429 -6.216 -4.553 1.00 0.00 H new ATOM 0 HG23 VAL A 10 8.903 -5.588 -5.327 1.00 0.00 H new ATOM 158 N VAL A 11 8.943 -4.389 -0.332 1.00 0.00 N ATOM 159 CA VAL A 11 9.579 -4.288 1.006 1.00 0.00 C ATOM 160 C VAL A 11 9.848 -5.663 1.592 1.00 0.00 C ATOM 161 O VAL A 11 10.983 -6.041 1.806 1.00 0.00 O ATOM 162 CB VAL A 11 8.627 -3.524 1.936 1.00 0.00 C ATOM 163 CG1 VAL A 11 9.064 -3.733 3.385 1.00 0.00 C ATOM 164 CG2 VAL A 11 8.694 -2.034 1.602 1.00 0.00 C ATOM 0 H VAL A 11 7.965 -4.102 -0.377 1.00 0.00 H new ATOM 0 HA VAL A 11 10.532 -3.768 0.907 1.00 0.00 H new ATOM 0 HB VAL A 11 7.608 -3.889 1.803 1.00 0.00 H new ATOM 0 HG11 VAL A 11 8.391 -3.192 4.050 1.00 0.00 H new ATOM 0 HG12 VAL A 11 9.034 -4.796 3.624 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.080 -3.360 3.516 1.00 0.00 H new ATOM 0 HG21 VAL A 11 8.020 -1.483 2.258 1.00 0.00 H new ATOM 0 HG22 VAL A 11 9.713 -1.675 1.744 1.00 0.00 H new ATOM 0 HG23 VAL A 11 8.396 -1.880 0.565 1.00 0.00 H new ATOM 174 N ALA A 12 8.806 -6.384 1.842 1.00 0.00 N ATOM 175 CA ALA A 12 8.978 -7.742 2.415 1.00 0.00 C ATOM 176 C ALA A 12 7.829 -8.653 2.005 1.00 0.00 C ATOM 177 O ALA A 12 6.818 -8.194 1.509 1.00 0.00 O ATOM 178 CB ALA A 12 8.998 -7.624 3.947 1.00 0.00 C ATOM 0 H ALA A 12 7.841 -6.097 1.677 1.00 0.00 H new ATOM 0 HA ALA A 12 9.909 -8.170 2.044 1.00 0.00 H new ATOM 0 HB1 ALA A 12 9.124 -8.613 4.387 1.00 0.00 H new ATOM 0 HB2 ALA A 12 9.826 -6.984 4.252 1.00 0.00 H new ATOM 0 HB3 ALA A 12 8.059 -7.191 4.291 1.00 0.00 H new ATOM 184 N ALA A 13 8.011 -9.936 2.222 1.00 0.00 N ATOM 185 CA ALA A 13 6.947 -10.912 1.855 1.00 0.00 C ATOM 186 C ALA A 13 6.581 -11.788 3.048 1.00 0.00 C ATOM 187 O ALA A 13 7.436 -12.393 3.662 1.00 0.00 O ATOM 188 CB ALA A 13 7.483 -11.812 0.731 1.00 0.00 C ATOM 0 H ALA A 13 8.849 -10.343 2.636 1.00 0.00 H new ATOM 0 HA ALA A 13 6.059 -10.367 1.534 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.718 -12.535 0.447 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.742 -11.200 -0.133 1.00 0.00 H new ATOM 0 HB3 ALA A 13 8.370 -12.341 1.080 1.00 0.00 H new ATOM 194 N THR A 14 5.308 -11.841 3.345 1.00 0.00 N ATOM 195 CA THR A 14 4.848 -12.665 4.488 1.00 0.00 C ATOM 196 C THR A 14 4.224 -13.959 3.960 1.00 0.00 C ATOM 197 O THR A 14 3.871 -14.041 2.801 1.00 0.00 O ATOM 198 CB THR A 14 3.781 -11.855 5.250 1.00 0.00 C ATOM 199 OG1 THR A 14 3.422 -10.805 4.377 1.00 0.00 O ATOM 200 CG2 THR A 14 4.394 -11.144 6.471 1.00 0.00 C ATOM 0 H THR A 14 4.571 -11.347 2.841 1.00 0.00 H new ATOM 0 HA THR A 14 5.682 -12.914 5.144 1.00 0.00 H new ATOM 0 HB THR A 14 2.970 -12.514 5.560 1.00 0.00 H new ATOM 0 HG1 THR A 14 3.180 -10.013 4.900 1.00 0.00 H new ATOM 0 HG21 THR A 14 3.619 -10.580 6.990 1.00 0.00 H new ATOM 0 HG22 THR A 14 4.819 -11.885 7.148 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.178 -10.463 6.140 1.00 0.00 H new ATOM 208 N PRO A 15 4.098 -14.959 4.814 1.00 0.00 N ATOM 209 CA PRO A 15 3.516 -16.219 4.393 1.00 0.00 C ATOM 210 C PRO A 15 2.203 -15.984 3.657 1.00 0.00 C ATOM 211 O PRO A 15 1.180 -15.763 4.264 1.00 0.00 O ATOM 212 CB PRO A 15 3.276 -17.004 5.703 1.00 0.00 C ATOM 213 CG PRO A 15 3.927 -16.180 6.859 1.00 0.00 C ATOM 214 CD PRO A 15 4.493 -14.890 6.231 1.00 0.00 C ATOM 0 HA PRO A 15 4.164 -16.761 3.704 1.00 0.00 H new ATOM 0 HB2 PRO A 15 2.209 -17.140 5.880 1.00 0.00 H new ATOM 0 HB3 PRO A 15 3.718 -17.998 5.643 1.00 0.00 H new ATOM 0 HG2 PRO A 15 3.190 -15.944 7.627 1.00 0.00 H new ATOM 0 HG3 PRO A 15 4.718 -16.753 7.342 1.00 0.00 H new ATOM 0 HD2 PRO A 15 4.084 -14.002 6.713 1.00 0.00 H new ATOM 0 HD3 PRO A 15 5.577 -14.840 6.338 1.00 0.00 H new ATOM 222 N THR A 16 2.277 -16.017 2.348 1.00 0.00 N ATOM 223 CA THR A 16 1.058 -15.801 1.509 1.00 0.00 C ATOM 224 C THR A 16 0.588 -14.352 1.611 1.00 0.00 C ATOM 225 O THR A 16 -0.587 -14.081 1.755 1.00 0.00 O ATOM 226 CB THR A 16 -0.086 -16.743 1.972 1.00 0.00 C ATOM 227 OG1 THR A 16 -0.740 -16.069 3.025 1.00 0.00 O ATOM 228 CG2 THR A 16 0.460 -18.038 2.613 1.00 0.00 C ATOM 0 H THR A 16 3.135 -16.185 1.823 1.00 0.00 H new ATOM 0 HA THR A 16 1.315 -16.022 0.473 1.00 0.00 H new ATOM 0 HB THR A 16 -0.710 -16.988 1.113 1.00 0.00 H new ATOM 0 HG1 THR A 16 -0.208 -16.147 3.844 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.373 -18.669 2.923 1.00 0.00 H new ATOM 0 HG22 THR A 16 1.071 -18.574 1.887 1.00 0.00 H new ATOM 0 HG23 THR A 16 1.067 -17.786 3.482 1.00 0.00 H new ATOM 236 N SER A 17 1.530 -13.446 1.528 1.00 0.00 N ATOM 237 CA SER A 17 1.181 -12.003 1.614 1.00 0.00 C ATOM 238 C SER A 17 2.349 -11.148 1.138 1.00 0.00 C ATOM 239 O SER A 17 3.496 -11.510 1.322 1.00 0.00 O ATOM 240 CB SER A 17 0.871 -11.660 3.079 1.00 0.00 C ATOM 241 OG SER A 17 1.388 -10.346 3.245 1.00 0.00 O ATOM 0 H SER A 17 2.522 -13.647 1.405 1.00 0.00 H new ATOM 0 HA SER A 17 0.316 -11.802 0.982 1.00 0.00 H new ATOM 0 HB2 SER A 17 -0.200 -11.695 3.278 1.00 0.00 H new ATOM 0 HB3 SER A 17 1.346 -12.364 3.762 1.00 0.00 H new ATOM 0 HG SER A 17 2.296 -10.395 3.610 1.00 0.00 H new ATOM 247 N LEU A 18 2.036 -10.023 0.530 1.00 0.00 N ATOM 248 CA LEU A 18 3.118 -9.125 0.031 1.00 0.00 C ATOM 249 C LEU A 18 2.928 -7.696 0.522 1.00 0.00 C ATOM 250 O LEU A 18 1.817 -7.209 0.618 1.00 0.00 O ATOM 251 CB LEU A 18 3.068 -9.127 -1.506 1.00 0.00 C ATOM 252 CG LEU A 18 4.070 -10.150 -2.043 1.00 0.00 C ATOM 253 CD1 LEU A 18 3.652 -10.567 -3.455 1.00 0.00 C ATOM 254 CD2 LEU A 18 5.462 -9.513 -2.096 1.00 0.00 C ATOM 0 H LEU A 18 1.085 -9.695 0.362 1.00 0.00 H new ATOM 0 HA LEU A 18 4.076 -9.489 0.403 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.062 -9.372 -1.848 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.303 -8.134 -1.890 1.00 0.00 H new ATOM 0 HG LEU A 18 4.091 -11.023 -1.391 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.362 -11.297 -3.844 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.657 -11.010 -3.424 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.639 -9.691 -4.104 1.00 0.00 H new ATOM 0 HD21 LEU A 18 6.180 -10.239 -2.478 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.440 -8.644 -2.753 1.00 0.00 H new ATOM 0 HD23 LEU A 18 5.758 -9.203 -1.094 1.00 0.00 H new ATOM 266 N LEU A 19 4.031 -7.054 0.823 1.00 0.00 N ATOM 267 CA LEU A 19 3.976 -5.652 1.315 1.00 0.00 C ATOM 268 C LEU A 19 4.663 -4.727 0.318 1.00 0.00 C ATOM 269 O LEU A 19 5.877 -4.662 0.264 1.00 0.00 O ATOM 270 CB LEU A 19 4.727 -5.592 2.658 1.00 0.00 C ATOM 271 CG LEU A 19 4.151 -4.461 3.515 1.00 0.00 C ATOM 272 CD1 LEU A 19 4.871 -4.441 4.866 1.00 0.00 C ATOM 273 CD2 LEU A 19 4.375 -3.123 2.805 1.00 0.00 C ATOM 0 H LEU A 19 4.969 -7.447 0.747 1.00 0.00 H new ATOM 0 HA LEU A 19 2.940 -5.337 1.435 1.00 0.00 H new ATOM 0 HB2 LEU A 19 4.634 -6.543 3.182 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.790 -5.426 2.485 1.00 0.00 H new ATOM 0 HG LEU A 19 3.083 -4.621 3.666 1.00 0.00 H new ATOM 0 HD11 LEU A 19 4.466 -3.638 5.482 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.723 -5.396 5.371 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.937 -4.275 4.708 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.966 -2.316 3.413 1.00 0.00 H new ATOM 0 HD22 LEU A 19 5.443 -2.962 2.660 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.875 -3.137 1.836 1.00 0.00 H new ATOM 285 N ILE A 20 3.874 -4.028 -0.461 1.00 0.00 N ATOM 286 CA ILE A 20 4.468 -3.105 -1.460 1.00 0.00 C ATOM 287 C ILE A 20 4.461 -1.665 -0.970 1.00 0.00 C ATOM 288 O ILE A 20 3.575 -1.246 -0.255 1.00 0.00 O ATOM 289 CB ILE A 20 3.647 -3.193 -2.752 1.00 0.00 C ATOM 290 CG1 ILE A 20 2.197 -2.793 -2.489 1.00 0.00 C ATOM 291 CG2 ILE A 20 3.669 -4.649 -3.243 1.00 0.00 C ATOM 292 CD1 ILE A 20 1.854 -1.561 -3.339 1.00 0.00 C ATOM 0 H ILE A 20 2.855 -4.060 -0.444 1.00 0.00 H new ATOM 0 HA ILE A 20 5.504 -3.400 -1.628 1.00 0.00 H new ATOM 0 HB ILE A 20 4.075 -2.521 -3.496 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.529 -3.618 -2.736 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.054 -2.572 -1.431 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.089 -4.732 -4.162 1.00 0.00 H new ATOM 0 HG22 ILE A 20 4.698 -4.953 -3.434 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.235 -5.297 -2.481 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.820 -1.269 -3.156 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.516 -0.738 -3.070 1.00 0.00 H new ATOM 0 HD13 ILE A 20 1.983 -1.800 -4.395 1.00 0.00 H new ATOM 304 N SER A 21 5.468 -0.941 -1.363 1.00 0.00 N ATOM 305 CA SER A 21 5.568 0.478 -0.950 1.00 0.00 C ATOM 306 C SER A 21 6.062 1.306 -2.122 1.00 0.00 C ATOM 307 O SER A 21 7.021 0.933 -2.769 1.00 0.00 O ATOM 308 CB SER A 21 6.579 0.571 0.203 1.00 0.00 C ATOM 309 OG SER A 21 6.356 -0.618 0.944 1.00 0.00 O ATOM 0 H SER A 21 6.228 -1.275 -1.955 1.00 0.00 H new ATOM 0 HA SER A 21 4.595 0.852 -0.631 1.00 0.00 H new ATOM 0 HB2 SER A 21 7.603 0.626 -0.166 1.00 0.00 H new ATOM 0 HB3 SER A 21 6.411 1.459 0.812 1.00 0.00 H new ATOM 0 HG SER A 21 6.093 -0.388 1.860 1.00 0.00 H new ATOM 315 N TRP A 22 5.398 2.417 -2.387 1.00 0.00 N ATOM 316 CA TRP A 22 5.843 3.266 -3.536 1.00 0.00 C ATOM 317 C TRP A 22 5.941 4.745 -3.165 1.00 0.00 C ATOM 318 O TRP A 22 6.309 5.081 -2.057 1.00 0.00 O ATOM 319 CB TRP A 22 4.860 3.064 -4.725 1.00 0.00 C ATOM 320 CG TRP A 22 3.502 3.727 -4.459 1.00 0.00 C ATOM 321 CD1 TRP A 22 3.118 4.865 -5.014 1.00 0.00 C ATOM 322 CD2 TRP A 22 2.552 3.224 -3.696 1.00 0.00 C ATOM 323 NE1 TRP A 22 1.864 5.042 -4.543 1.00 0.00 N ATOM 324 CE2 TRP A 22 1.429 4.037 -3.695 1.00 0.00 C ATOM 325 CE3 TRP A 22 2.544 2.049 -2.967 1.00 0.00 C ATOM 326 CZ2 TRP A 22 0.312 3.673 -2.957 1.00 0.00 C ATOM 327 CZ3 TRP A 22 1.430 1.692 -2.235 1.00 0.00 C ATOM 328 CH2 TRP A 22 0.317 2.501 -2.231 1.00 0.00 C ATOM 0 H TRP A 22 4.589 2.760 -1.869 1.00 0.00 H new ATOM 0 HA TRP A 22 6.847 2.952 -3.822 1.00 0.00 H new ATOM 0 HB2 TRP A 22 5.297 3.481 -5.633 1.00 0.00 H new ATOM 0 HB3 TRP A 22 4.716 1.998 -4.901 1.00 0.00 H new ATOM 0 HD1 TRP A 22 3.675 5.502 -5.685 1.00 0.00 H new ATOM 0 HE1 TRP A 22 1.288 5.846 -4.791 1.00 0.00 H new ATOM 0 HE3 TRP A 22 3.413 1.408 -2.971 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -0.562 4.308 -2.951 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 1.432 0.775 -1.664 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -0.554 2.218 -1.658 1.00 0.00 H new ATOM 415 N VAL A 29 -3.762 15.238 -4.627 1.00 0.00 N ATOM 416 CA VAL A 29 -4.068 13.840 -5.030 1.00 0.00 C ATOM 417 C VAL A 29 -5.489 13.473 -4.629 1.00 0.00 C ATOM 418 O VAL A 29 -5.878 13.647 -3.493 1.00 0.00 O ATOM 419 CB VAL A 29 -3.083 12.900 -4.303 1.00 0.00 C ATOM 420 CG1 VAL A 29 -3.300 11.454 -4.773 1.00 0.00 C ATOM 421 CG2 VAL A 29 -1.650 13.321 -4.638 1.00 0.00 C ATOM 0 HA VAL A 29 -3.971 13.743 -6.111 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.252 12.962 -3.228 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.602 10.795 -4.257 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.322 11.148 -4.549 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -3.130 11.391 -5.848 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.948 12.661 -4.128 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.493 13.254 -5.715 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.486 14.348 -4.310 1.00 0.00 H new ATOM 431 N ARG A 30 -6.244 12.972 -5.568 1.00 0.00 N ATOM 432 CA ARG A 30 -7.635 12.596 -5.240 1.00 0.00 C ATOM 433 C ARG A 30 -7.692 11.169 -4.723 1.00 0.00 C ATOM 434 O ARG A 30 -8.086 10.937 -3.599 1.00 0.00 O ATOM 435 CB ARG A 30 -8.491 12.705 -6.513 1.00 0.00 C ATOM 436 CG ARG A 30 -9.887 13.219 -6.142 1.00 0.00 C ATOM 437 CD ARG A 30 -10.706 13.426 -7.420 1.00 0.00 C ATOM 438 NE ARG A 30 -11.199 14.832 -7.456 1.00 0.00 N ATOM 439 CZ ARG A 30 -11.901 15.234 -8.477 1.00 0.00 C ATOM 440 NH1 ARG A 30 -12.583 14.355 -9.155 1.00 0.00 N ATOM 441 NH2 ARG A 30 -11.896 16.502 -8.789 1.00 0.00 N ATOM 0 H ARG A 30 -5.957 12.811 -6.534 1.00 0.00 H new ATOM 0 HA ARG A 30 -8.013 13.265 -4.467 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -8.019 13.382 -7.226 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -8.566 11.732 -6.999 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -10.388 12.506 -5.487 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -9.808 14.156 -5.591 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -10.094 13.219 -8.298 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -11.546 12.731 -7.446 1.00 0.00 H new ATOM 0 HE ARG A 30 -10.989 15.472 -6.690 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -12.561 13.372 -8.883 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -13.139 14.650 -9.958 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -11.348 17.161 -8.236 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -12.440 16.833 -9.586 1.00 0.00 H new ATOM 455 N TYR A 31 -7.294 10.231 -5.545 1.00 0.00 N ATOM 456 CA TYR A 31 -7.330 8.816 -5.089 1.00 0.00 C ATOM 457 C TYR A 31 -6.211 7.989 -5.698 1.00 0.00 C ATOM 458 O TYR A 31 -5.538 8.405 -6.622 1.00 0.00 O ATOM 459 CB TYR A 31 -8.659 8.179 -5.525 1.00 0.00 C ATOM 460 CG TYR A 31 -9.833 8.999 -4.996 1.00 0.00 C ATOM 461 CD1 TYR A 31 -10.015 9.167 -3.638 1.00 0.00 C ATOM 462 CD2 TYR A 31 -10.738 9.568 -5.868 1.00 0.00 C ATOM 463 CE1 TYR A 31 -11.084 9.898 -3.161 1.00 0.00 C ATOM 464 CE2 TYR A 31 -11.808 10.298 -5.392 1.00 0.00 C ATOM 465 CZ TYR A 31 -11.989 10.469 -4.033 1.00 0.00 C ATOM 466 OH TYR A 31 -13.059 11.199 -3.556 1.00 0.00 O ATOM 0 H TYR A 31 -6.952 10.383 -6.494 1.00 0.00 H new ATOM 0 HA TYR A 31 -7.217 8.824 -4.005 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -8.705 8.124 -6.613 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -8.721 7.157 -5.151 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -9.316 8.723 -2.944 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -10.608 9.441 -6.933 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -11.214 10.024 -2.096 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -12.508 10.738 -6.086 1.00 0.00 H new ATOM 0 HH TYR A 31 -13.592 11.528 -4.309 1.00 0.00 H new ATOM 476 N TYR A 32 -6.049 6.824 -5.151 1.00 0.00 N ATOM 477 CA TYR A 32 -5.000 5.898 -5.630 1.00 0.00 C ATOM 478 C TYR A 32 -5.584 4.497 -5.751 1.00 0.00 C ATOM 479 O TYR A 32 -6.323 4.073 -4.883 1.00 0.00 O ATOM 480 CB TYR A 32 -3.889 5.851 -4.568 1.00 0.00 C ATOM 481 CG TYR A 32 -2.606 6.506 -5.089 1.00 0.00 C ATOM 482 CD1 TYR A 32 -2.432 7.875 -5.020 1.00 0.00 C ATOM 483 CD2 TYR A 32 -1.580 5.727 -5.584 1.00 0.00 C ATOM 484 CE1 TYR A 32 -1.248 8.451 -5.437 1.00 0.00 C ATOM 485 CE2 TYR A 32 -0.398 6.305 -5.999 1.00 0.00 C ATOM 486 CZ TYR A 32 -0.225 7.670 -5.927 1.00 0.00 C ATOM 487 OH TYR A 32 0.964 8.244 -6.316 1.00 0.00 O ATOM 0 H TYR A 32 -6.611 6.469 -4.377 1.00 0.00 H new ATOM 0 HA TYR A 32 -4.618 6.233 -6.594 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -4.222 6.362 -3.665 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -3.687 4.816 -4.292 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -3.227 8.498 -4.638 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -1.703 4.656 -5.647 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -1.123 9.522 -5.378 1.00 0.00 H new ATOM 0 HE2 TYR A 32 0.397 5.683 -6.383 1.00 0.00 H new ATOM 0 HH TYR A 32 1.575 7.547 -6.635 1.00 0.00 H new ATOM 497 N ARG A 33 -5.264 3.795 -6.815 1.00 0.00 N ATOM 498 CA ARG A 33 -5.829 2.412 -6.949 1.00 0.00 C ATOM 499 C ARG A 33 -4.808 1.457 -7.499 1.00 0.00 C ATOM 500 O ARG A 33 -4.191 1.707 -8.517 1.00 0.00 O ATOM 501 CB ARG A 33 -7.076 2.431 -7.865 1.00 0.00 C ATOM 502 CG ARG A 33 -6.723 3.057 -9.184 1.00 0.00 C ATOM 503 CD ARG A 33 -8.008 3.404 -9.942 1.00 0.00 C ATOM 504 NE ARG A 33 -9.104 2.506 -9.480 1.00 0.00 N ATOM 505 CZ ARG A 33 -9.893 1.951 -10.360 1.00 0.00 C ATOM 506 NH1 ARG A 33 -9.491 0.873 -10.977 1.00 0.00 N ATOM 507 NH2 ARG A 33 -11.058 2.493 -10.594 1.00 0.00 N ATOM 0 H ARG A 33 -4.657 4.106 -7.573 1.00 0.00 H new ATOM 0 HA ARG A 33 -6.116 2.070 -5.954 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -7.442 1.416 -8.019 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -7.881 2.991 -7.389 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -6.128 3.956 -9.025 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -6.114 2.371 -9.773 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -8.277 4.446 -9.769 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -7.854 3.289 -11.015 1.00 0.00 H new ATOM 0 HE ARG A 33 -9.237 2.326 -8.485 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -8.574 0.478 -10.768 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -10.094 0.426 -11.668 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -11.338 3.336 -10.093 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -11.688 2.073 -11.278 1.00 0.00 H new ATOM 521 N ILE A 34 -4.659 0.361 -6.804 1.00 0.00 N ATOM 522 CA ILE A 34 -3.677 -0.670 -7.237 1.00 0.00 C ATOM 523 C ILE A 34 -4.364 -1.943 -7.717 1.00 0.00 C ATOM 524 O ILE A 34 -5.289 -2.430 -7.097 1.00 0.00 O ATOM 525 CB ILE A 34 -2.794 -1.011 -6.030 1.00 0.00 C ATOM 526 CG1 ILE A 34 -2.020 0.224 -5.611 1.00 0.00 C ATOM 527 CG2 ILE A 34 -1.782 -2.102 -6.435 1.00 0.00 C ATOM 528 CD1 ILE A 34 -1.984 0.307 -4.086 1.00 0.00 C ATOM 0 H ILE A 34 -5.177 0.137 -5.954 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.094 -0.273 -8.068 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.421 -1.360 -5.210 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.006 0.183 -6.008 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.488 1.118 -6.024 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.151 -2.349 -5.581 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.319 -2.994 -6.759 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.160 -1.736 -7.252 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.428 1.194 -3.783 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.002 0.367 -3.701 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.496 -0.581 -3.685 1.00 0.00 H new ATOM 540 N THR A 35 -3.888 -2.448 -8.826 1.00 0.00 N ATOM 541 CA THR A 35 -4.468 -3.690 -9.400 1.00 0.00 C ATOM 542 C THR A 35 -3.360 -4.688 -9.667 1.00 0.00 C ATOM 543 O THR A 35 -2.324 -4.324 -10.195 1.00 0.00 O ATOM 544 CB THR A 35 -5.140 -3.346 -10.728 1.00 0.00 C ATOM 545 OG1 THR A 35 -4.101 -3.376 -11.679 1.00 0.00 O ATOM 546 CG2 THR A 35 -5.635 -1.891 -10.739 1.00 0.00 C ATOM 0 H THR A 35 -3.117 -2.047 -9.359 1.00 0.00 H new ATOM 0 HA THR A 35 -5.189 -4.116 -8.702 1.00 0.00 H new ATOM 0 HB THR A 35 -5.972 -4.027 -10.910 1.00 0.00 H new ATOM 0 HG1 THR A 35 -3.237 -3.419 -11.218 1.00 0.00 H new ATOM 0 HG21 THR A 35 -6.109 -1.675 -11.697 1.00 0.00 H new ATOM 0 HG22 THR A 35 -6.358 -1.746 -9.936 1.00 0.00 H new ATOM 0 HG23 THR A 35 -4.790 -1.218 -10.592 1.00 0.00 H new ATOM 554 N TYR A 36 -3.579 -5.930 -9.297 1.00 0.00 N ATOM 555 CA TYR A 36 -2.525 -6.945 -9.535 1.00 0.00 C ATOM 556 C TYR A 36 -3.102 -8.230 -10.089 1.00 0.00 C ATOM 557 O TYR A 36 -4.292 -8.480 -9.990 1.00 0.00 O ATOM 558 CB TYR A 36 -1.823 -7.240 -8.199 1.00 0.00 C ATOM 559 CG TYR A 36 -2.865 -7.564 -7.120 1.00 0.00 C ATOM 560 CD1 TYR A 36 -3.659 -6.567 -6.582 1.00 0.00 C ATOM 561 CD2 TYR A 36 -3.010 -8.855 -6.654 1.00 0.00 C ATOM 562 CE1 TYR A 36 -4.579 -6.861 -5.595 1.00 0.00 C ATOM 563 CE2 TYR A 36 -3.928 -9.147 -5.667 1.00 0.00 C ATOM 564 CZ TYR A 36 -4.720 -8.153 -5.132 1.00 0.00 C ATOM 565 OH TYR A 36 -5.640 -8.447 -4.146 1.00 0.00 O ATOM 0 H TYR A 36 -4.429 -6.271 -8.849 1.00 0.00 H new ATOM 0 HA TYR A 36 -1.822 -6.551 -10.269 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -1.136 -8.078 -8.317 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -1.227 -6.380 -7.894 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -3.559 -5.552 -6.936 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -2.399 -9.644 -7.066 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -5.193 -6.074 -5.183 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -4.027 -10.162 -5.311 1.00 0.00 H new ATOM 0 HH TYR A 36 -5.606 -9.405 -3.942 1.00 0.00 H new ATOM 575 N GLY A 37 -2.239 -9.013 -10.690 1.00 0.00 N ATOM 576 CA GLY A 37 -2.687 -10.305 -11.273 1.00 0.00 C ATOM 577 C GLY A 37 -1.614 -10.863 -12.211 1.00 0.00 C ATOM 578 O GLY A 37 -0.982 -10.127 -12.944 1.00 0.00 O ATOM 0 H GLY A 37 -1.246 -8.809 -10.799 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.891 -11.020 -10.476 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.619 -10.162 -11.820 1.00 0.00 H new ATOM 582 N GLU A 38 -1.417 -12.153 -12.156 1.00 0.00 N ATOM 583 CA GLU A 38 -0.397 -12.766 -13.035 1.00 0.00 C ATOM 584 C GLU A 38 -0.698 -12.457 -14.498 1.00 0.00 C ATOM 585 O GLU A 38 -1.430 -11.534 -14.802 1.00 0.00 O ATOM 586 CB GLU A 38 -0.425 -14.296 -12.831 1.00 0.00 C ATOM 587 CG GLU A 38 -1.245 -14.635 -11.585 1.00 0.00 C ATOM 588 CD GLU A 38 -1.054 -16.114 -11.244 1.00 0.00 C ATOM 589 OE1 GLU A 38 -1.654 -16.912 -11.946 1.00 0.00 O ATOM 590 OE2 GLU A 38 -0.319 -16.363 -10.304 1.00 0.00 O ATOM 0 H GLU A 38 -1.916 -12.799 -11.544 1.00 0.00 H new ATOM 0 HA GLU A 38 0.583 -12.361 -12.783 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.857 -14.781 -13.706 1.00 0.00 H new ATOM 0 HB3 GLU A 38 0.591 -14.677 -12.725 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -0.930 -14.013 -10.747 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.300 -14.423 -11.760 1.00 0.00 H new ATOM 597 N THR A 39 -0.127 -13.229 -15.379 1.00 0.00 N ATOM 598 CA THR A 39 -0.370 -12.990 -16.823 1.00 0.00 C ATOM 599 C THR A 39 -1.863 -12.967 -17.127 1.00 0.00 C ATOM 600 O THR A 39 -2.679 -13.255 -16.274 1.00 0.00 O ATOM 601 CB THR A 39 0.274 -14.132 -17.613 1.00 0.00 C ATOM 602 OG1 THR A 39 -0.344 -14.102 -18.883 1.00 0.00 O ATOM 603 CG2 THR A 39 -0.120 -15.493 -17.023 1.00 0.00 C ATOM 0 H THR A 39 0.493 -14.009 -15.161 1.00 0.00 H new ATOM 0 HA THR A 39 0.057 -12.026 -17.101 1.00 0.00 H new ATOM 0 HB THR A 39 1.358 -14.016 -17.614 1.00 0.00 H new ATOM 0 HG1 THR A 39 0.028 -14.814 -19.445 1.00 0.00 H new ATOM 0 HG21 THR A 39 0.349 -16.289 -17.601 1.00 0.00 H new ATOM 0 HG22 THR A 39 0.214 -15.551 -15.987 1.00 0.00 H new ATOM 0 HG23 THR A 39 -1.203 -15.607 -17.062 1.00 0.00 H new ATOM 664 N VAL A 45 -6.346 -10.764 -10.830 1.00 0.00 N ATOM 665 CA VAL A 45 -6.726 -11.193 -9.464 1.00 0.00 C ATOM 666 C VAL A 45 -7.750 -10.247 -8.884 1.00 0.00 C ATOM 667 O VAL A 45 -8.890 -10.609 -8.672 1.00 0.00 O ATOM 668 CB VAL A 45 -5.473 -11.176 -8.571 1.00 0.00 C ATOM 669 CG1 VAL A 45 -5.894 -11.280 -7.106 1.00 0.00 C ATOM 670 CG2 VAL A 45 -4.584 -12.366 -8.924 1.00 0.00 C ATOM 0 HA VAL A 45 -7.151 -12.196 -9.510 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.924 -10.248 -8.730 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.008 -11.268 -6.471 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -6.535 -10.436 -6.851 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.440 -12.210 -6.950 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -3.695 -12.356 -8.293 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -5.135 -13.292 -8.761 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.286 -12.300 -9.970 1.00 0.00 H new ATOM 680 N GLN A 46 -7.329 -9.050 -8.636 1.00 0.00 N ATOM 681 CA GLN A 46 -8.271 -8.054 -8.061 1.00 0.00 C ATOM 682 C GLN A 46 -7.620 -6.681 -7.953 1.00 0.00 C ATOM 683 O GLN A 46 -6.504 -6.480 -8.389 1.00 0.00 O ATOM 684 CB GLN A 46 -8.674 -8.523 -6.647 1.00 0.00 C ATOM 685 CG GLN A 46 -10.200 -8.658 -6.566 1.00 0.00 C ATOM 686 CD GLN A 46 -10.839 -7.272 -6.656 1.00 0.00 C ATOM 687 OE1 GLN A 46 -10.605 -6.407 -5.708 1.00 0.00 O flip ATOM 688 NE2 GLN A 46 -11.554 -6.964 -7.589 1.00 0.00 N flip ATOM 0 H GLN A 46 -6.381 -8.714 -8.803 1.00 0.00 H new ATOM 0 HA GLN A 46 -9.140 -7.975 -8.714 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -8.202 -9.479 -6.421 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -8.322 -7.810 -5.902 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -10.563 -9.291 -7.375 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -10.484 -9.141 -5.631 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -11.740 -7.637 -8.333 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -11.968 -6.033 -7.628 1.00 0.00 H new ATOM 697 N GLU A 47 -8.337 -5.759 -7.375 1.00 0.00 N ATOM 698 CA GLU A 47 -7.794 -4.388 -7.219 1.00 0.00 C ATOM 699 C GLU A 47 -8.510 -3.663 -6.082 1.00 0.00 C ATOM 700 O GLU A 47 -9.523 -4.125 -5.599 1.00 0.00 O ATOM 701 CB GLU A 47 -8.040 -3.611 -8.526 1.00 0.00 C ATOM 702 CG GLU A 47 -9.548 -3.540 -8.800 1.00 0.00 C ATOM 703 CD GLU A 47 -9.785 -3.374 -10.305 1.00 0.00 C ATOM 704 OE1 GLU A 47 -9.565 -4.353 -11.000 1.00 0.00 O ATOM 705 OE2 GLU A 47 -10.176 -2.278 -10.673 1.00 0.00 O ATOM 0 H GLU A 47 -9.277 -5.899 -7.004 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.729 -4.447 -6.995 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -7.626 -2.606 -8.448 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -7.531 -4.102 -9.355 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -10.037 -4.446 -8.441 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.988 -2.704 -8.257 1.00 0.00 H new ATOM 712 N PHE A 48 -7.979 -2.542 -5.665 1.00 0.00 N ATOM 713 CA PHE A 48 -8.643 -1.803 -4.561 1.00 0.00 C ATOM 714 C PHE A 48 -8.219 -0.340 -4.543 1.00 0.00 C ATOM 715 O PHE A 48 -7.104 -0.009 -4.893 1.00 0.00 O ATOM 716 CB PHE A 48 -8.254 -2.462 -3.227 1.00 0.00 C ATOM 717 CG PHE A 48 -6.729 -2.510 -3.099 1.00 0.00 C ATOM 718 CD1 PHE A 48 -6.002 -3.502 -3.736 1.00 0.00 C ATOM 719 CD2 PHE A 48 -6.059 -1.575 -2.332 1.00 0.00 C ATOM 720 CE1 PHE A 48 -4.629 -3.554 -3.605 1.00 0.00 C ATOM 721 CE2 PHE A 48 -4.684 -1.632 -2.204 1.00 0.00 C ATOM 722 CZ PHE A 48 -3.972 -2.620 -2.840 1.00 0.00 C ATOM 0 H PHE A 48 -7.130 -2.116 -6.036 1.00 0.00 H new ATOM 0 HA PHE A 48 -9.722 -1.841 -4.711 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -8.681 -1.901 -2.395 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -8.665 -3.470 -3.175 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -6.512 -4.239 -4.339 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -6.613 -0.796 -1.830 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -4.069 -4.331 -4.105 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -4.168 -0.898 -1.603 1.00 0.00 H new ATOM 0 HZ PHE A 48 -2.898 -2.663 -2.739 1.00 0.00 H new ATOM 732 N THR A 49 -9.126 0.513 -4.133 1.00 0.00 N ATOM 733 CA THR A 49 -8.800 1.964 -4.082 1.00 0.00 C ATOM 734 C THR A 49 -8.396 2.393 -2.680 1.00 0.00 C ATOM 735 O THR A 49 -9.132 2.191 -1.734 1.00 0.00 O ATOM 736 CB THR A 49 -10.044 2.757 -4.488 1.00 0.00 C ATOM 737 OG1 THR A 49 -11.044 2.393 -3.558 1.00 0.00 O ATOM 738 CG2 THR A 49 -10.583 2.278 -5.842 1.00 0.00 C ATOM 0 H THR A 49 -10.070 0.266 -3.835 1.00 0.00 H new ATOM 0 HA THR A 49 -7.967 2.154 -4.759 1.00 0.00 H new ATOM 0 HB THR A 49 -9.804 3.819 -4.528 1.00 0.00 H new ATOM 0 HG1 THR A 49 -10.623 2.090 -2.727 1.00 0.00 H new ATOM 0 HG21 THR A 49 -11.467 2.858 -6.107 1.00 0.00 H new ATOM 0 HG22 THR A 49 -9.818 2.413 -6.606 1.00 0.00 H new ATOM 0 HG23 THR A 49 -10.848 1.223 -5.776 1.00 0.00 H new ATOM 746 N VAL A 50 -7.225 2.983 -2.578 1.00 0.00 N ATOM 747 CA VAL A 50 -6.735 3.444 -1.248 1.00 0.00 C ATOM 748 C VAL A 50 -6.530 4.971 -1.254 1.00 0.00 C ATOM 749 O VAL A 50 -6.249 5.546 -2.292 1.00 0.00 O ATOM 750 CB VAL A 50 -5.366 2.795 -0.987 1.00 0.00 C ATOM 751 CG1 VAL A 50 -5.540 1.563 -0.111 1.00 0.00 C ATOM 752 CG2 VAL A 50 -4.743 2.387 -2.319 1.00 0.00 C ATOM 0 H VAL A 50 -6.594 3.162 -3.359 1.00 0.00 H new ATOM 0 HA VAL A 50 -7.464 3.171 -0.485 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.717 3.508 -0.479 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.567 1.106 0.072 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -5.989 1.853 0.839 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -6.189 0.847 -0.615 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.772 1.926 -2.140 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.396 1.674 -2.823 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.616 3.269 -2.947 1.00 0.00 H new ATOM 762 N PRO A 51 -6.672 5.620 -0.093 1.00 0.00 N ATOM 763 CA PRO A 51 -6.488 7.062 -0.021 1.00 0.00 C ATOM 764 C PRO A 51 -5.066 7.439 -0.415 1.00 0.00 C ATOM 765 O PRO A 51 -4.113 6.919 0.131 1.00 0.00 O ATOM 766 CB PRO A 51 -6.717 7.425 1.461 1.00 0.00 C ATOM 767 CG PRO A 51 -6.932 6.092 2.234 1.00 0.00 C ATOM 768 CD PRO A 51 -7.021 4.972 1.187 1.00 0.00 C ATOM 0 HA PRO A 51 -7.167 7.586 -0.694 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -5.860 7.968 1.861 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -7.585 8.076 1.568 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -6.108 5.910 2.924 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -7.843 6.135 2.830 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -6.333 4.159 1.419 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -8.022 4.542 1.152 1.00 0.00 H new ATOM 776 N GLY A 52 -4.945 8.327 -1.354 1.00 0.00 N ATOM 777 CA GLY A 52 -3.584 8.749 -1.794 1.00 0.00 C ATOM 778 C GLY A 52 -2.693 9.091 -0.582 1.00 0.00 C ATOM 779 O GLY A 52 -1.504 9.295 -0.727 1.00 0.00 O ATOM 0 H GLY A 52 -5.722 8.779 -1.836 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -3.122 7.951 -2.376 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.662 9.617 -2.449 1.00 0.00 H new ATOM 783 N SER A 53 -3.287 9.148 0.587 1.00 0.00 N ATOM 784 CA SER A 53 -2.489 9.472 1.798 1.00 0.00 C ATOM 785 C SER A 53 -1.581 8.309 2.164 1.00 0.00 C ATOM 786 O SER A 53 -0.428 8.497 2.498 1.00 0.00 O ATOM 787 CB SER A 53 -3.454 9.728 2.964 1.00 0.00 C ATOM 788 OG SER A 53 -3.109 11.026 3.423 1.00 0.00 O ATOM 0 H SER A 53 -4.281 8.985 0.748 1.00 0.00 H new ATOM 0 HA SER A 53 -1.877 10.351 1.598 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.493 9.684 2.638 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.335 8.983 3.750 1.00 0.00 H new ATOM 0 HG SER A 53 -3.687 11.271 4.176 1.00 0.00 H new ATOM 794 N LYS A 54 -2.118 7.123 2.098 1.00 0.00 N ATOM 795 CA LYS A 54 -1.300 5.934 2.439 1.00 0.00 C ATOM 796 C LYS A 54 -0.205 5.729 1.398 1.00 0.00 C ATOM 797 O LYS A 54 -0.465 5.772 0.212 1.00 0.00 O ATOM 798 CB LYS A 54 -2.215 4.697 2.456 1.00 0.00 C ATOM 799 CG LYS A 54 -2.924 4.617 3.809 1.00 0.00 C ATOM 800 CD LYS A 54 -2.054 3.821 4.793 1.00 0.00 C ATOM 801 CE LYS A 54 -2.733 3.798 6.167 1.00 0.00 C ATOM 802 NZ LYS A 54 -3.221 5.158 6.538 1.00 0.00 N ATOM 0 H LYS A 54 -3.081 6.929 1.824 1.00 0.00 H new ATOM 0 HA LYS A 54 -0.837 6.082 3.415 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -2.947 4.760 1.651 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -1.629 3.794 2.284 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -3.107 5.619 4.196 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.896 4.137 3.695 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -1.911 2.804 4.429 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -1.066 4.274 4.871 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.568 3.098 6.153 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -2.030 3.441 6.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -3.379 5.202 7.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -2.511 5.868 6.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -4.114 5.354 6.042 1.00 0.00 H new ATOM 816 N SER A 55 1.000 5.508 1.863 1.00 0.00 N ATOM 817 CA SER A 55 2.132 5.298 0.914 1.00 0.00 C ATOM 818 C SER A 55 2.506 3.823 0.809 1.00 0.00 C ATOM 819 O SER A 55 3.347 3.450 0.007 1.00 0.00 O ATOM 820 CB SER A 55 3.348 6.071 1.443 1.00 0.00 C ATOM 821 OG SER A 55 2.848 7.378 1.686 1.00 0.00 O ATOM 0 H SER A 55 1.246 5.464 2.852 1.00 0.00 H new ATOM 0 HA SER A 55 1.830 5.647 -0.073 1.00 0.00 H new ATOM 0 HB2 SER A 55 3.742 5.619 2.353 1.00 0.00 H new ATOM 0 HB3 SER A 55 4.160 6.083 0.716 1.00 0.00 H new ATOM 0 HG SER A 55 3.569 7.945 2.032 1.00 0.00 H new ATOM 827 N THR A 56 1.874 3.012 1.621 1.00 0.00 N ATOM 828 CA THR A 56 2.174 1.554 1.590 1.00 0.00 C ATOM 829 C THR A 56 0.887 0.732 1.612 1.00 0.00 C ATOM 830 O THR A 56 -0.192 1.267 1.777 1.00 0.00 O ATOM 831 CB THR A 56 3.001 1.208 2.835 1.00 0.00 C ATOM 832 OG1 THR A 56 2.183 1.558 3.938 1.00 0.00 O ATOM 833 CG2 THR A 56 4.232 2.125 2.952 1.00 0.00 C ATOM 0 H THR A 56 1.168 3.298 2.299 1.00 0.00 H new ATOM 0 HA THR A 56 2.720 1.321 0.676 1.00 0.00 H new ATOM 0 HB THR A 56 3.311 0.164 2.793 1.00 0.00 H new ATOM 0 HG1 THR A 56 2.656 1.358 4.773 1.00 0.00 H new ATOM 0 HG21 THR A 56 4.801 1.859 3.843 1.00 0.00 H new ATOM 0 HG22 THR A 56 4.861 2.004 2.070 1.00 0.00 H new ATOM 0 HG23 THR A 56 3.907 3.163 3.026 1.00 0.00 H new ATOM 841 N ALA A 57 1.024 -0.561 1.443 1.00 0.00 N ATOM 842 CA ALA A 57 -0.182 -1.432 1.452 1.00 0.00 C ATOM 843 C ALA A 57 0.207 -2.911 1.501 1.00 0.00 C ATOM 844 O ALA A 57 1.263 -3.290 1.031 1.00 0.00 O ATOM 845 CB ALA A 57 -0.970 -1.174 0.158 1.00 0.00 C ATOM 0 H ALA A 57 1.912 -1.043 1.301 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.779 -1.201 2.334 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -1.860 -1.803 0.143 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.265 -0.126 0.115 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.344 -1.410 -0.702 1.00 0.00 H new ATOM 851 N THR A 58 -0.665 -3.714 2.072 1.00 0.00 N ATOM 852 CA THR A 58 -0.383 -5.180 2.172 1.00 0.00 C ATOM 853 C THR A 58 -1.474 -5.988 1.475 1.00 0.00 C ATOM 854 O THR A 58 -2.623 -5.945 1.868 1.00 0.00 O ATOM 855 CB THR A 58 -0.368 -5.567 3.656 1.00 0.00 C ATOM 856 OG1 THR A 58 0.839 -5.044 4.168 1.00 0.00 O ATOM 857 CG2 THR A 58 -0.232 -7.088 3.822 1.00 0.00 C ATOM 0 H THR A 58 -1.555 -3.416 2.471 1.00 0.00 H new ATOM 0 HA THR A 58 0.574 -5.392 1.696 1.00 0.00 H new ATOM 0 HB THR A 58 -1.277 -5.209 4.140 1.00 0.00 H new ATOM 0 HG1 THR A 58 0.909 -5.257 5.122 1.00 0.00 H new ATOM 0 HG21 THR A 58 -0.224 -7.339 4.883 1.00 0.00 H new ATOM 0 HG22 THR A 58 -1.074 -7.583 3.339 1.00 0.00 H new ATOM 0 HG23 THR A 58 0.698 -7.422 3.363 1.00 0.00 H new ATOM 865 N ILE A 59 -1.089 -6.713 0.450 1.00 0.00 N ATOM 866 CA ILE A 59 -2.067 -7.529 -0.292 1.00 0.00 C ATOM 867 C ILE A 59 -1.849 -9.016 -0.027 1.00 0.00 C ATOM 868 O ILE A 59 -0.773 -9.428 0.361 1.00 0.00 O ATOM 869 CB ILE A 59 -1.850 -7.234 -1.775 1.00 0.00 C ATOM 870 CG1 ILE A 59 -0.840 -8.219 -2.383 1.00 0.00 C ATOM 871 CG2 ILE A 59 -1.285 -5.803 -1.889 1.00 0.00 C ATOM 872 CD1 ILE A 59 -0.356 -7.687 -3.737 1.00 0.00 C ATOM 0 H ILE A 59 -0.131 -6.766 0.104 1.00 0.00 H new ATOM 0 HA ILE A 59 -3.082 -7.285 0.022 1.00 0.00 H new ATOM 0 HB ILE A 59 -2.794 -7.334 -2.311 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.006 -8.351 -1.709 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -1.302 -9.198 -2.509 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -1.118 -5.560 -2.938 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -1.996 -5.096 -1.462 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -0.341 -5.740 -1.348 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.361 -8.386 -4.168 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -1.206 -7.578 -4.410 1.00 0.00 H new ATOM 0 HD13 ILE A 59 0.122 -6.718 -3.597 1.00 0.00 H new ATOM 884 N SER A 60 -2.875 -9.798 -0.243 1.00 0.00 N ATOM 885 CA SER A 60 -2.740 -11.257 -0.009 1.00 0.00 C ATOM 886 C SER A 60 -3.569 -12.053 -1.009 1.00 0.00 C ATOM 887 O SER A 60 -4.254 -11.490 -1.838 1.00 0.00 O ATOM 888 CB SER A 60 -3.242 -11.572 1.410 1.00 0.00 C ATOM 889 OG SER A 60 -2.204 -12.356 1.978 1.00 0.00 O ATOM 0 H SER A 60 -3.791 -9.488 -0.568 1.00 0.00 H new ATOM 0 HA SER A 60 -1.693 -11.536 -0.127 1.00 0.00 H new ATOM 0 HB2 SER A 60 -3.413 -10.661 1.984 1.00 0.00 H new ATOM 0 HB3 SER A 60 -4.186 -12.116 1.387 1.00 0.00 H new ATOM 0 HG SER A 60 -2.016 -13.121 1.395 1.00 0.00 H new ATOM 895 N GLY A 61 -3.490 -13.355 -0.911 1.00 0.00 N ATOM 896 CA GLY A 61 -4.268 -14.213 -1.852 1.00 0.00 C ATOM 897 C GLY A 61 -3.466 -14.457 -3.132 1.00 0.00 C ATOM 898 O GLY A 61 -3.947 -14.212 -4.220 1.00 0.00 O ATOM 0 H GLY A 61 -2.925 -13.857 -0.226 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -4.505 -15.164 -1.376 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -5.216 -13.733 -2.094 1.00 0.00 H new ATOM 902 N LEU A 62 -2.253 -14.933 -2.969 1.00 0.00 N ATOM 903 CA LEU A 62 -1.392 -15.204 -4.155 1.00 0.00 C ATOM 904 C LEU A 62 -0.787 -16.606 -4.078 1.00 0.00 C ATOM 905 O LEU A 62 -1.326 -17.475 -3.420 1.00 0.00 O ATOM 906 CB LEU A 62 -0.261 -14.161 -4.162 1.00 0.00 C ATOM 907 CG LEU A 62 0.461 -14.185 -2.816 1.00 0.00 C ATOM 908 CD1 LEU A 62 1.969 -14.308 -3.048 1.00 0.00 C ATOM 909 CD2 LEU A 62 0.172 -12.880 -2.082 1.00 0.00 C ATOM 0 H LEU A 62 -1.827 -15.144 -2.066 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.990 -15.142 -5.064 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.441 -14.376 -4.968 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.669 -13.168 -4.351 1.00 0.00 H new ATOM 0 HG LEU A 62 0.115 -15.033 -2.225 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.485 -14.325 -2.088 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.180 -15.230 -3.590 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.318 -13.456 -3.632 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.682 -12.884 -1.119 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.529 -12.040 -2.678 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.902 -12.782 -1.924 1.00 0.00 H new ATOM 921 N LYS A 63 0.323 -16.802 -4.758 1.00 0.00 N ATOM 922 CA LYS A 63 0.974 -18.142 -4.732 1.00 0.00 C ATOM 923 C LYS A 63 2.520 -17.993 -4.657 1.00 0.00 C ATOM 924 O LYS A 63 3.064 -17.034 -5.170 1.00 0.00 O ATOM 925 CB LYS A 63 0.613 -18.880 -6.038 1.00 0.00 C ATOM 926 CG LYS A 63 -0.514 -19.886 -5.762 1.00 0.00 C ATOM 927 CD LYS A 63 -1.217 -20.247 -7.079 1.00 0.00 C ATOM 928 CE LYS A 63 -0.230 -20.950 -8.021 1.00 0.00 C ATOM 929 NZ LYS A 63 0.219 -20.018 -9.092 1.00 0.00 N ATOM 0 H LYS A 63 0.797 -16.096 -5.322 1.00 0.00 H new ATOM 0 HA LYS A 63 0.628 -18.695 -3.859 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.298 -18.164 -6.798 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.489 -19.397 -6.430 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.108 -20.784 -5.297 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -1.231 -19.460 -5.060 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.069 -20.897 -6.880 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.606 -19.346 -7.553 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.631 -21.306 -7.456 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -0.703 -21.825 -8.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 1.218 -20.202 -9.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -0.360 -20.163 -9.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 0.113 -19.036 -8.765 1.00 0.00 H new ATOM 943 N PRO A 64 3.210 -18.949 -4.011 1.00 0.00 N ATOM 944 CA PRO A 64 4.672 -18.881 -3.896 1.00 0.00 C ATOM 945 C PRO A 64 5.375 -19.076 -5.245 1.00 0.00 C ATOM 946 O PRO A 64 5.185 -20.076 -5.909 1.00 0.00 O ATOM 947 CB PRO A 64 5.049 -20.056 -2.971 1.00 0.00 C ATOM 948 CG PRO A 64 3.770 -20.919 -2.773 1.00 0.00 C ATOM 949 CD PRO A 64 2.592 -20.113 -3.335 1.00 0.00 C ATOM 0 HA PRO A 64 4.978 -17.904 -3.522 1.00 0.00 H new ATOM 0 HB2 PRO A 64 5.849 -20.651 -3.412 1.00 0.00 H new ATOM 0 HB3 PRO A 64 5.416 -19.688 -2.013 1.00 0.00 H new ATOM 0 HG2 PRO A 64 3.865 -21.874 -3.290 1.00 0.00 H new ATOM 0 HG3 PRO A 64 3.615 -21.142 -1.717 1.00 0.00 H new ATOM 0 HD2 PRO A 64 2.004 -20.708 -4.034 1.00 0.00 H new ATOM 0 HD3 PRO A 64 1.917 -19.795 -2.541 1.00 0.00 H new ATOM 957 N GLY A 65 6.176 -18.110 -5.618 1.00 0.00 N ATOM 958 CA GLY A 65 6.909 -18.213 -6.916 1.00 0.00 C ATOM 959 C GLY A 65 5.955 -18.175 -8.111 1.00 0.00 C ATOM 960 O GLY A 65 5.458 -19.195 -8.545 1.00 0.00 O ATOM 0 H GLY A 65 6.353 -17.260 -5.084 1.00 0.00 H new ATOM 0 HA2 GLY A 65 7.624 -17.394 -6.996 1.00 0.00 H new ATOM 0 HA3 GLY A 65 7.482 -19.140 -6.937 1.00 0.00 H new ATOM 964 N VAL A 66 5.720 -16.995 -8.621 1.00 0.00 N ATOM 965 CA VAL A 66 4.808 -16.878 -9.784 1.00 0.00 C ATOM 966 C VAL A 66 4.906 -15.487 -10.416 1.00 0.00 C ATOM 967 O VAL A 66 5.113 -14.500 -9.731 1.00 0.00 O ATOM 968 CB VAL A 66 3.367 -17.129 -9.299 1.00 0.00 C ATOM 969 CG1 VAL A 66 2.761 -15.827 -8.784 1.00 0.00 C ATOM 970 CG2 VAL A 66 2.525 -17.646 -10.469 1.00 0.00 C ATOM 0 H VAL A 66 6.118 -16.119 -8.283 1.00 0.00 H new ATOM 0 HA VAL A 66 5.090 -17.612 -10.539 1.00 0.00 H new ATOM 0 HB VAL A 66 3.380 -17.865 -8.495 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.742 -16.010 -8.442 1.00 0.00 H new ATOM 0 HG12 VAL A 66 3.360 -15.450 -7.955 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.748 -15.089 -9.586 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.504 -17.825 -10.131 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.518 -16.904 -11.268 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.953 -18.577 -10.842 1.00 0.00 H new ATOM 980 N ASP A 67 4.777 -15.436 -11.718 1.00 0.00 N ATOM 981 CA ASP A 67 4.860 -14.124 -12.406 1.00 0.00 C ATOM 982 C ASP A 67 3.850 -13.159 -11.815 1.00 0.00 C ATOM 983 O ASP A 67 2.836 -13.573 -11.289 1.00 0.00 O ATOM 984 CB ASP A 67 4.543 -14.331 -13.893 1.00 0.00 C ATOM 985 CG ASP A 67 5.745 -13.883 -14.728 1.00 0.00 C ATOM 986 OD1 ASP A 67 5.884 -12.680 -14.874 1.00 0.00 O ATOM 987 OD2 ASP A 67 6.457 -14.770 -15.170 1.00 0.00 O ATOM 0 H ASP A 67 4.619 -16.241 -12.324 1.00 0.00 H new ATOM 0 HA ASP A 67 5.861 -13.711 -12.281 1.00 0.00 H new ATOM 0 HB2 ASP A 67 4.320 -15.380 -14.088 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.657 -13.760 -14.172 1.00 0.00 H new ATOM 992 N TYR A 68 4.131 -11.885 -11.911 1.00 0.00 N ATOM 993 CA TYR A 68 3.185 -10.904 -11.350 1.00 0.00 C ATOM 994 C TYR A 68 3.187 -9.593 -12.125 1.00 0.00 C ATOM 995 O TYR A 68 4.231 -9.060 -12.450 1.00 0.00 O ATOM 996 CB TYR A 68 3.623 -10.617 -9.919 1.00 0.00 C ATOM 997 CG TYR A 68 2.525 -11.061 -8.966 1.00 0.00 C ATOM 998 CD1 TYR A 68 2.406 -12.385 -8.619 1.00 0.00 C ATOM 999 CD2 TYR A 68 1.623 -10.155 -8.463 1.00 0.00 C ATOM 1000 CE1 TYR A 68 1.395 -12.802 -7.784 1.00 0.00 C ATOM 1001 CE2 TYR A 68 0.611 -10.569 -7.627 1.00 0.00 C ATOM 1002 CZ TYR A 68 0.488 -11.897 -7.283 1.00 0.00 C ATOM 1003 OH TYR A 68 -0.537 -12.312 -6.465 1.00 0.00 O ATOM 0 H TYR A 68 4.966 -11.495 -12.349 1.00 0.00 H new ATOM 0 HA TYR A 68 2.178 -11.319 -11.404 1.00 0.00 H new ATOM 0 HB2 TYR A 68 4.551 -11.144 -9.696 1.00 0.00 H new ATOM 0 HB3 TYR A 68 3.823 -9.553 -9.793 1.00 0.00 H new ATOM 0 HD1 TYR A 68 3.112 -13.105 -9.005 1.00 0.00 H new ATOM 0 HD2 TYR A 68 1.709 -9.111 -8.725 1.00 0.00 H new ATOM 0 HE1 TYR A 68 1.313 -13.846 -7.520 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -0.092 -9.847 -7.238 1.00 0.00 H new ATOM 0 HH TYR A 68 -1.080 -11.539 -6.204 1.00 0.00 H new ATOM 1013 N THR A 69 2.002 -9.101 -12.403 1.00 0.00 N ATOM 1014 CA THR A 69 1.877 -7.823 -13.153 1.00 0.00 C ATOM 1015 C THR A 69 1.009 -6.847 -12.362 1.00 0.00 C ATOM 1016 O THR A 69 -0.137 -7.140 -12.068 1.00 0.00 O ATOM 1017 CB THR A 69 1.203 -8.116 -14.498 1.00 0.00 C ATOM 1018 OG1 THR A 69 1.967 -9.153 -15.081 1.00 0.00 O ATOM 1019 CG2 THR A 69 1.362 -6.932 -15.461 1.00 0.00 C ATOM 0 H THR A 69 1.118 -9.535 -12.139 1.00 0.00 H new ATOM 0 HA THR A 69 2.863 -7.384 -13.307 1.00 0.00 H new ATOM 0 HB THR A 69 0.148 -8.339 -14.340 1.00 0.00 H new ATOM 0 HG1 THR A 69 1.585 -9.391 -15.951 1.00 0.00 H new ATOM 0 HG21 THR A 69 0.875 -7.165 -16.408 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.903 -6.045 -15.026 1.00 0.00 H new ATOM 0 HG23 THR A 69 2.422 -6.744 -15.635 1.00 0.00 H new ATOM 1027 N ILE A 70 1.572 -5.703 -12.029 1.00 0.00 N ATOM 1028 CA ILE A 70 0.791 -4.691 -11.250 1.00 0.00 C ATOM 1029 C ILE A 70 0.565 -3.413 -12.045 1.00 0.00 C ATOM 1030 O ILE A 70 1.235 -3.155 -13.028 1.00 0.00 O ATOM 1031 CB ILE A 70 1.580 -4.340 -9.992 1.00 0.00 C ATOM 1032 CG1 ILE A 70 2.916 -3.729 -10.379 1.00 0.00 C ATOM 1033 CG2 ILE A 70 1.838 -5.631 -9.195 1.00 0.00 C ATOM 1034 CD1 ILE A 70 2.870 -2.223 -10.115 1.00 0.00 C ATOM 0 H ILE A 70 2.528 -5.432 -12.262 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.182 -5.121 -11.012 1.00 0.00 H new ATOM 0 HB ILE A 70 1.014 -3.628 -9.392 1.00 0.00 H new ATOM 0 HG12 ILE A 70 3.720 -4.188 -9.804 1.00 0.00 H new ATOM 0 HG13 ILE A 70 3.127 -3.921 -11.431 1.00 0.00 H new ATOM 0 HG21 ILE A 70 2.402 -5.395 -8.292 1.00 0.00 H new ATOM 0 HG22 ILE A 70 0.886 -6.085 -8.920 1.00 0.00 H new ATOM 0 HG23 ILE A 70 2.409 -6.329 -9.807 1.00 0.00 H new ATOM 0 HD11 ILE A 70 3.825 -1.776 -10.390 1.00 0.00 H new ATOM 0 HD12 ILE A 70 2.075 -1.774 -10.709 1.00 0.00 H new ATOM 0 HD13 ILE A 70 2.677 -2.045 -9.057 1.00 0.00 H new ATOM 1046 N THR A 71 -0.378 -2.634 -11.588 1.00 0.00 N ATOM 1047 CA THR A 71 -0.688 -1.363 -12.279 1.00 0.00 C ATOM 1048 C THR A 71 -1.260 -0.355 -11.299 1.00 0.00 C ATOM 1049 O THR A 71 -2.205 -0.653 -10.595 1.00 0.00 O ATOM 1050 CB THR A 71 -1.737 -1.647 -13.352 1.00 0.00 C ATOM 1051 OG1 THR A 71 -1.062 -2.367 -14.358 1.00 0.00 O ATOM 1052 CG2 THR A 71 -2.185 -0.350 -14.030 1.00 0.00 C ATOM 0 H THR A 71 -0.945 -2.829 -10.763 1.00 0.00 H new ATOM 0 HA THR A 71 0.224 -0.956 -12.717 1.00 0.00 H new ATOM 0 HB THR A 71 -2.591 -2.158 -12.908 1.00 0.00 H new ATOM 0 HG1 THR A 71 -0.192 -2.665 -14.019 1.00 0.00 H new ATOM 0 HG21 THR A 71 -2.932 -0.576 -14.791 1.00 0.00 H new ATOM 0 HG22 THR A 71 -2.616 0.320 -13.286 1.00 0.00 H new ATOM 0 HG23 THR A 71 -1.326 0.132 -14.497 1.00 0.00 H new ATOM 1060 N VAL A 72 -0.678 0.829 -11.271 1.00 0.00 N ATOM 1061 CA VAL A 72 -1.189 1.875 -10.326 1.00 0.00 C ATOM 1062 C VAL A 72 -1.619 3.139 -11.060 1.00 0.00 C ATOM 1063 O VAL A 72 -0.951 3.603 -11.974 1.00 0.00 O ATOM 1064 CB VAL A 72 -0.072 2.241 -9.324 1.00 0.00 C ATOM 1065 CG1 VAL A 72 0.620 0.965 -8.855 1.00 0.00 C ATOM 1066 CG2 VAL A 72 0.951 3.149 -10.005 1.00 0.00 C ATOM 0 H VAL A 72 0.113 1.109 -11.851 1.00 0.00 H new ATOM 0 HA VAL A 72 -2.058 1.465 -9.811 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.506 2.761 -8.470 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.409 1.218 -8.147 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -0.107 0.314 -8.370 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.053 0.450 -9.712 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.738 3.406 -9.296 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.387 2.630 -10.859 1.00 0.00 H new ATOM 0 HG23 VAL A 72 0.459 4.060 -10.347 1.00 0.00 H new ATOM 1076 N TYR A 73 -2.746 3.660 -10.645 1.00 0.00 N ATOM 1077 CA TYR A 73 -3.283 4.893 -11.268 1.00 0.00 C ATOM 1078 C TYR A 73 -3.299 6.014 -10.238 1.00 0.00 C ATOM 1079 O TYR A 73 -3.846 5.848 -9.149 1.00 0.00 O ATOM 1080 CB TYR A 73 -4.737 4.637 -11.680 1.00 0.00 C ATOM 1081 CG TYR A 73 -4.833 4.106 -13.097 1.00 0.00 C ATOM 1082 CD1 TYR A 73 -4.536 2.789 -13.372 1.00 0.00 C ATOM 1083 CD2 TYR A 73 -5.292 4.912 -14.109 1.00 0.00 C ATOM 1084 CE1 TYR A 73 -4.701 2.287 -14.643 1.00 0.00 C ATOM 1085 CE2 TYR A 73 -5.458 4.415 -15.378 1.00 0.00 C ATOM 1086 CZ TYR A 73 -5.165 3.098 -15.659 1.00 0.00 C ATOM 1087 OH TYR A 73 -5.336 2.600 -16.934 1.00 0.00 O ATOM 0 H TYR A 73 -3.318 3.275 -9.893 1.00 0.00 H new ATOM 0 HA TYR A 73 -2.666 5.165 -12.124 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -5.190 3.923 -10.992 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -5.307 5.563 -11.599 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -4.171 2.146 -12.585 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -5.525 5.947 -13.905 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -4.466 1.253 -14.846 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -5.821 5.062 -16.163 1.00 0.00 H new ATOM 0 HH TYR A 73 -5.671 3.310 -17.520 1.00 0.00 H new ATOM 1097 N ALA A 74 -2.700 7.124 -10.585 1.00 0.00 N ATOM 1098 CA ALA A 74 -2.668 8.273 -9.644 1.00 0.00 C ATOM 1099 C ALA A 74 -3.612 9.358 -10.133 1.00 0.00 C ATOM 1100 O ALA A 74 -3.267 10.142 -10.995 1.00 0.00 O ATOM 1101 CB ALA A 74 -1.239 8.836 -9.606 1.00 0.00 C ATOM 0 H ALA A 74 -2.234 7.280 -11.479 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.974 7.945 -8.651 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.199 9.681 -8.919 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -0.551 8.061 -9.268 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -0.951 9.166 -10.604 1.00 0.00 H new ATOM 1107 N VAL A 75 -4.791 9.387 -9.578 1.00 0.00 N ATOM 1108 CA VAL A 75 -5.768 10.419 -10.009 1.00 0.00 C ATOM 1109 C VAL A 75 -5.588 11.722 -9.236 1.00 0.00 C ATOM 1110 O VAL A 75 -5.756 11.764 -8.030 1.00 0.00 O ATOM 1111 CB VAL A 75 -7.179 9.878 -9.756 1.00 0.00 C ATOM 1112 CG1 VAL A 75 -8.146 10.532 -10.739 1.00 0.00 C ATOM 1113 CG2 VAL A 75 -7.185 8.366 -9.986 1.00 0.00 C ATOM 0 H VAL A 75 -5.116 8.748 -8.853 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.609 10.632 -11.066 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.481 10.099 -8.732 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -9.153 10.152 -10.566 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -8.136 11.612 -10.595 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -7.841 10.299 -11.759 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -8.187 7.975 -9.807 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -6.890 8.153 -11.014 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -6.483 7.891 -9.301 1.00 0.00 H new ATOM 1123 N THR A 76 -5.256 12.772 -9.955 1.00 0.00 N ATOM 1124 CA THR A 76 -5.058 14.086 -9.293 1.00 0.00 C ATOM 1125 C THR A 76 -6.360 14.872 -9.256 1.00 0.00 C ATOM 1126 O THR A 76 -6.886 15.161 -8.200 1.00 0.00 O ATOM 1127 CB THR A 76 -4.013 14.880 -10.087 1.00 0.00 C ATOM 1128 OG1 THR A 76 -4.187 14.491 -11.430 1.00 0.00 O ATOM 1129 CG2 THR A 76 -2.592 14.415 -9.738 1.00 0.00 C ATOM 0 H THR A 76 -5.116 12.767 -10.965 1.00 0.00 H new ATOM 0 HA THR A 76 -4.722 13.923 -8.269 1.00 0.00 H new ATOM 0 HB THR A 76 -4.130 15.945 -9.885 1.00 0.00 H new ATOM 0 HG1 THR A 76 -3.544 14.969 -11.995 1.00 0.00 H new ATOM 0 HG21 THR A 76 -1.869 14.993 -10.313 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.411 14.565 -8.674 1.00 0.00 H new ATOM 0 HG23 THR A 76 -2.486 13.357 -9.979 1.00 0.00 H new ATOM 1266 N PRO A 87 -0.751 6.990 -15.782 1.00 0.00 N ATOM 1267 CA PRO A 87 -0.750 5.712 -15.082 1.00 0.00 C ATOM 1268 C PRO A 87 0.353 4.817 -15.622 1.00 0.00 C ATOM 1269 O PRO A 87 0.868 5.060 -16.695 1.00 0.00 O ATOM 1270 CB PRO A 87 -2.140 5.106 -15.364 1.00 0.00 C ATOM 1271 CG PRO A 87 -2.994 6.223 -16.046 1.00 0.00 C ATOM 1272 CD PRO A 87 -2.041 7.378 -16.383 1.00 0.00 C ATOM 0 HA PRO A 87 -0.565 5.822 -14.013 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -2.056 4.234 -16.013 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -2.610 4.771 -14.439 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -3.474 5.844 -16.948 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -3.788 6.561 -15.380 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -1.950 7.514 -17.461 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -2.401 8.321 -15.972 1.00 0.00 H new ATOM 1280 N ILE A 88 0.708 3.799 -14.886 1.00 0.00 N ATOM 1281 CA ILE A 88 1.785 2.916 -15.394 1.00 0.00 C ATOM 1282 C ILE A 88 1.679 1.504 -14.846 1.00 0.00 C ATOM 1283 O ILE A 88 1.044 1.265 -13.838 1.00 0.00 O ATOM 1284 CB ILE A 88 3.121 3.518 -14.958 1.00 0.00 C ATOM 1285 CG1 ILE A 88 4.269 2.644 -15.454 1.00 0.00 C ATOM 1286 CG2 ILE A 88 3.159 3.581 -13.410 1.00 0.00 C ATOM 1287 CD1 ILE A 88 5.507 3.517 -15.670 1.00 0.00 C ATOM 0 H ILE A 88 0.310 3.548 -13.981 1.00 0.00 H new ATOM 0 HA ILE A 88 1.700 2.851 -16.479 1.00 0.00 H new ATOM 0 HB ILE A 88 3.226 4.518 -15.378 1.00 0.00 H new ATOM 0 HG12 ILE A 88 4.484 1.859 -14.729 1.00 0.00 H new ATOM 0 HG13 ILE A 88 3.990 2.150 -16.385 1.00 0.00 H new ATOM 0 HG21 ILE A 88 4.108 4.009 -13.086 1.00 0.00 H new ATOM 0 HG22 ILE A 88 2.339 4.203 -13.051 1.00 0.00 H new ATOM 0 HG23 ILE A 88 3.057 2.575 -13.002 1.00 0.00 H new ATOM 0 HD11 ILE A 88 6.331 2.898 -16.025 1.00 0.00 H new ATOM 0 HD12 ILE A 88 5.286 4.286 -16.411 1.00 0.00 H new ATOM 0 HD13 ILE A 88 5.787 3.990 -14.729 1.00 0.00 H new ATOM 1299 N SER A 89 2.312 0.589 -15.531 1.00 0.00 N ATOM 1300 CA SER A 89 2.276 -0.819 -15.088 1.00 0.00 C ATOM 1301 C SER A 89 3.599 -1.502 -15.399 1.00 0.00 C ATOM 1302 O SER A 89 4.254 -1.168 -16.364 1.00 0.00 O ATOM 1303 CB SER A 89 1.160 -1.539 -15.856 1.00 0.00 C ATOM 1304 OG SER A 89 0.017 -0.723 -15.653 1.00 0.00 O ATOM 0 H SER A 89 2.851 0.765 -16.379 1.00 0.00 H new ATOM 0 HA SER A 89 2.098 -0.857 -14.013 1.00 0.00 H new ATOM 0 HB2 SER A 89 1.401 -1.631 -16.915 1.00 0.00 H new ATOM 0 HB3 SER A 89 1.002 -2.548 -15.476 1.00 0.00 H new ATOM 0 HG SER A 89 -0.774 -1.290 -15.538 1.00 0.00 H new ATOM 1310 N ILE A 90 3.965 -2.458 -14.587 1.00 0.00 N ATOM 1311 CA ILE A 90 5.249 -3.163 -14.838 1.00 0.00 C ATOM 1312 C ILE A 90 5.172 -4.624 -14.416 1.00 0.00 C ATOM 1313 O ILE A 90 4.385 -4.992 -13.562 1.00 0.00 O ATOM 1314 CB ILE A 90 6.344 -2.474 -14.020 1.00 0.00 C ATOM 1315 CG1 ILE A 90 5.761 -1.975 -12.695 1.00 0.00 C ATOM 1316 CG2 ILE A 90 6.866 -1.264 -14.821 1.00 0.00 C ATOM 1317 CD1 ILE A 90 6.878 -1.866 -11.650 1.00 0.00 C ATOM 0 H ILE A 90 3.438 -2.775 -13.774 1.00 0.00 H new ATOM 0 HA ILE A 90 5.466 -3.125 -15.906 1.00 0.00 H new ATOM 0 HB ILE A 90 7.152 -3.178 -13.819 1.00 0.00 H new ATOM 0 HG12 ILE A 90 5.287 -1.004 -12.838 1.00 0.00 H new ATOM 0 HG13 ILE A 90 4.988 -2.659 -12.346 1.00 0.00 H new ATOM 0 HG21 ILE A 90 7.648 -0.761 -14.252 1.00 0.00 H new ATOM 0 HG22 ILE A 90 7.273 -1.606 -15.773 1.00 0.00 H new ATOM 0 HG23 ILE A 90 6.047 -0.569 -15.005 1.00 0.00 H new ATOM 0 HD11 ILE A 90 6.461 -1.511 -10.708 1.00 0.00 H new ATOM 0 HD12 ILE A 90 7.332 -2.845 -11.500 1.00 0.00 H new ATOM 0 HD13 ILE A 90 7.636 -1.164 -11.999 1.00 0.00 H new ATOM 1329 N ASN A 91 5.998 -5.435 -15.027 1.00 0.00 N ATOM 1330 CA ASN A 91 6.000 -6.879 -14.684 1.00 0.00 C ATOM 1331 C ASN A 91 6.978 -7.158 -13.549 1.00 0.00 C ATOM 1332 O ASN A 91 7.827 -6.342 -13.248 1.00 0.00 O ATOM 1333 CB ASN A 91 6.447 -7.671 -15.925 1.00 0.00 C ATOM 1334 CG ASN A 91 6.594 -9.148 -15.557 1.00 0.00 C ATOM 1335 OD1 ASN A 91 7.580 -9.560 -14.979 1.00 0.00 O ATOM 1336 ND2 ASN A 91 5.638 -9.976 -15.875 1.00 0.00 N ATOM 0 H ASN A 91 6.667 -5.156 -15.745 1.00 0.00 H new ATOM 0 HA ASN A 91 4.999 -7.175 -14.369 1.00 0.00 H new ATOM 0 HB2 ASN A 91 5.718 -7.555 -16.727 1.00 0.00 H new ATOM 0 HB3 ASN A 91 7.394 -7.281 -16.297 1.00 0.00 H new ATOM 0 HD21 ASN A 91 5.720 -10.965 -15.638 1.00 0.00 H new ATOM 0 HD22 ASN A 91 4.808 -9.635 -16.360 1.00 0.00 H new ATOM 1343 N TYR A 92 6.847 -8.307 -12.941 1.00 0.00 N ATOM 1344 CA TYR A 92 7.766 -8.648 -11.823 1.00 0.00 C ATOM 1345 C TYR A 92 7.577 -10.092 -11.375 1.00 0.00 C ATOM 1346 O TYR A 92 6.470 -10.526 -11.124 1.00 0.00 O ATOM 1347 CB TYR A 92 7.441 -7.723 -10.634 1.00 0.00 C ATOM 1348 CG TYR A 92 8.565 -7.811 -9.597 1.00 0.00 C ATOM 1349 CD1 TYR A 92 8.644 -8.889 -8.738 1.00 0.00 C ATOM 1350 CD2 TYR A 92 9.510 -6.810 -9.502 1.00 0.00 C ATOM 1351 CE1 TYR A 92 9.653 -8.964 -7.798 1.00 0.00 C ATOM 1352 CE2 TYR A 92 10.519 -6.885 -8.563 1.00 0.00 C ATOM 1353 CZ TYR A 92 10.598 -7.962 -7.704 1.00 0.00 C ATOM 1354 OH TYR A 92 11.604 -8.035 -6.763 1.00 0.00 O ATOM 0 H TYR A 92 6.150 -9.016 -13.169 1.00 0.00 H new ATOM 0 HA TYR A 92 8.794 -8.521 -12.161 1.00 0.00 H new ATOM 0 HB2 TYR A 92 7.330 -6.695 -10.979 1.00 0.00 H new ATOM 0 HB3 TYR A 92 6.492 -8.013 -10.183 1.00 0.00 H new ATOM 0 HD1 TYR A 92 7.911 -9.680 -8.802 1.00 0.00 H new ATOM 0 HD2 TYR A 92 9.460 -5.961 -10.168 1.00 0.00 H new ATOM 0 HE1 TYR A 92 9.703 -9.813 -7.132 1.00 0.00 H new ATOM 0 HE2 TYR A 92 11.252 -6.095 -8.500 1.00 0.00 H new ATOM 0 HH TYR A 92 12.180 -7.246 -6.838 1.00 0.00 H new ATOM 1364 N ARG A 93 8.662 -10.816 -11.281 1.00 0.00 N ATOM 1365 CA ARG A 93 8.550 -12.233 -10.846 1.00 0.00 C ATOM 1366 C ARG A 93 8.673 -12.326 -9.334 1.00 0.00 C ATOM 1367 O ARG A 93 9.733 -12.096 -8.786 1.00 0.00 O ATOM 1368 CB ARG A 93 9.686 -13.084 -11.482 1.00 0.00 C ATOM 1369 CG ARG A 93 10.632 -12.205 -12.311 1.00 0.00 C ATOM 1370 CD ARG A 93 9.910 -11.734 -13.574 1.00 0.00 C ATOM 1371 NE ARG A 93 10.255 -10.308 -13.827 1.00 0.00 N ATOM 1372 CZ ARG A 93 11.040 -10.008 -14.825 1.00 0.00 C ATOM 1373 NH1 ARG A 93 10.640 -10.263 -16.041 1.00 0.00 N ATOM 1374 NH2 ARG A 93 12.199 -9.464 -14.573 1.00 0.00 N ATOM 0 H ARG A 93 9.607 -10.490 -11.484 1.00 0.00 H new ATOM 0 HA ARG A 93 7.579 -12.611 -11.167 1.00 0.00 H new ATOM 0 HB2 ARG A 93 10.248 -13.591 -10.698 1.00 0.00 H new ATOM 0 HB3 ARG A 93 9.254 -13.858 -12.116 1.00 0.00 H new ATOM 0 HG2 ARG A 93 10.958 -11.347 -11.723 1.00 0.00 H new ATOM 0 HG3 ARG A 93 11.527 -12.766 -12.578 1.00 0.00 H new ATOM 0 HD2 ARG A 93 10.202 -12.349 -14.426 1.00 0.00 H new ATOM 0 HD3 ARG A 93 8.832 -11.845 -13.455 1.00 0.00 H new ATOM 0 HE ARG A 93 9.882 -9.573 -13.226 1.00 0.00 H new ATOM 0 HH11 ARG A 93 9.727 -10.690 -16.199 1.00 0.00 H new ATOM 0 HH12 ARG A 93 11.240 -10.035 -16.834 1.00 0.00 H new ATOM 0 HH21 ARG A 93 12.477 -9.280 -13.609 1.00 0.00 H new ATOM 0 HH22 ARG A 93 12.827 -9.222 -15.340 1.00 0.00 H new ATOM 1388 N THR A 94 7.581 -12.667 -8.684 1.00 0.00 N ATOM 1389 CA THR A 94 7.610 -12.781 -7.196 1.00 0.00 C ATOM 1390 C THR A 94 7.415 -14.228 -6.764 1.00 0.00 C ATOM 1391 O THR A 94 7.418 -15.063 -7.654 1.00 0.00 O ATOM 1392 CB THR A 94 6.461 -11.938 -6.625 1.00 0.00 C ATOM 1393 OG1 THR A 94 5.821 -11.374 -7.749 1.00 0.00 O ATOM 1394 CG2 THR A 94 6.997 -10.728 -5.840 1.00 0.00 C ATOM 1395 OXT THR A 94 7.273 -14.421 -5.569 1.00 0.00 O ATOM 0 H THR A 94 6.681 -12.869 -9.120 1.00 0.00 H new ATOM 0 HA THR A 94 8.575 -12.431 -6.829 1.00 0.00 H new ATOM 0 HB THR A 94 5.835 -12.558 -5.984 1.00 0.00 H new ATOM 0 HG1 THR A 94 5.069 -10.819 -7.453 1.00 0.00 H new ATOM 0 HG21 THR A 94 6.161 -10.150 -5.447 1.00 0.00 H new ATOM 0 HG22 THR A 94 7.617 -11.076 -5.014 1.00 0.00 H new ATOM 0 HG23 THR A 94 7.593 -10.100 -6.502 1.00 0.00 H new