USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 569 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 16 CYS SG : rot -150:sc= -0.0509 USER MOD Set 1.2: A 19 CYS SG : rot 16:sc= 0.0853 USER MOD Set 1.3: A 21 THR OG1 : rot 110:sc= 0.836 USER MOD Set 1.4: A 41 CYS SG : rot 172:sc= 0.225 USER MOD Set 1.5: A 43 HIS : no HD1:sc= 0 X(o=-1.7,f=-1.8) USER MOD Set 1.6: A 44 CYS SG : rot -66:sc= -2.79! USER MOD Set 2.1: A 23 SER OG : rot -113:sc= 0.416 USER MOD Set 2.2: A 25 HIS :FLIP no HD1:sc= -0.0149 F(o=-0.66,f=0.4) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 MET CE :methyl -131:sc= -1.06 (180deg=-2.52) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0476 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -0.451 X(o=-0.45,f=-0.31) USER MOD Single : A 24 SER OG : rot 180:sc= 0.0377 USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.71 USER MOD Single : A 27 MET CE :methyl -164:sc= -2.64 (180deg=-3.61!) USER MOD Single : A 28 SER OG : rot 118:sc= 1.04 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= -0.487 X(o=-0.49,f=-0.037) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot -120:sc= -0.619 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 160:sc= -0.0333 (180deg=-0.601) USER MOD Single : A 48 HIS : no HE2:sc= -2.69 X(o=-2.7,f=-2.8) USER MOD Single : A 53 HIS : no HD1:sc= -0.169 K(o=-0.17,f=-0.83) USER MOD Single : A 55 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0539) USER MOD Single : A 58 HIS : no HD1:sc= -0.0715 K(o=-0.071,f=-0.65) USER MOD Single : A 60 HIS :FLIP no HD1:sc= -1.24 F(o=-2,f=-1.2) USER MOD Single : A 61 HIS : no HD1:sc= -0.0989 X(o=-0.099,f=0.013) USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.261 USER MOD Single : A 66 GLN : amide:sc= -0.327 X(o=-0.33,f=-0.051) USER MOD Single : A 68 MET CE :methyl 167:sc= -1.07 (180deg=-1.59) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 117 N LYS A 9 -2.860 -20.126 -2.864 1.00 0.00 N ATOM 118 CA LYS A 9 -3.582 -21.114 -2.070 1.00 0.00 C ATOM 119 C LYS A 9 -2.639 -21.839 -1.115 1.00 0.00 C ATOM 120 O LYS A 9 -1.451 -21.990 -1.397 1.00 0.00 O ATOM 121 CB LYS A 9 -4.275 -22.126 -2.985 1.00 0.00 C ATOM 122 CG LYS A 9 -5.494 -21.567 -3.698 1.00 0.00 C ATOM 123 CD LYS A 9 -5.115 -20.894 -5.007 1.00 0.00 C ATOM 124 CE LYS A 9 -5.957 -19.653 -5.260 1.00 0.00 C ATOM 125 NZ LYS A 9 -7.144 -19.951 -6.108 1.00 0.00 N ATOM 0 HA LYS A 9 -4.335 -20.590 -1.481 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -3.560 -22.480 -3.728 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -4.575 -22.991 -2.394 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -6.203 -22.372 -3.893 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -5.997 -20.849 -3.051 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -4.060 -20.621 -4.985 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -5.245 -21.597 -5.830 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -6.286 -19.237 -4.308 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -5.346 -18.892 -5.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -7.692 -19.080 -6.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -6.830 -20.324 -7.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -7.741 -20.658 -5.633 1.00 0.00 H new ATOM 139 N MET A 10 -3.177 -22.286 0.015 1.00 0.00 N ATOM 140 CA MET A 10 -2.383 -22.997 1.010 1.00 0.00 C ATOM 141 C MET A 10 -3.162 -24.176 1.585 1.00 0.00 C ATOM 142 O MET A 10 -4.365 -24.079 1.826 1.00 0.00 O ATOM 143 CB MET A 10 -1.967 -22.048 2.135 1.00 0.00 C ATOM 144 CG MET A 10 -3.137 -21.335 2.793 1.00 0.00 C ATOM 145 SD MET A 10 -2.680 -20.531 4.341 1.00 0.00 S ATOM 146 CE MET A 10 -3.214 -21.759 5.531 1.00 0.00 C ATOM 0 H MET A 10 -4.159 -22.168 0.264 1.00 0.00 H new ATOM 0 HA MET A 10 -1.488 -23.380 0.519 1.00 0.00 H new ATOM 0 HB2 MET A 10 -1.423 -22.612 2.893 1.00 0.00 H new ATOM 0 HB3 MET A 10 -1.277 -21.304 1.736 1.00 0.00 H new ATOM 0 HG2 MET A 10 -3.536 -20.590 2.105 1.00 0.00 H new ATOM 0 HG3 MET A 10 -3.935 -22.053 2.983 1.00 0.00 H new ATOM 0 HE1 MET A 10 -3.808 -21.278 6.308 1.00 0.00 H new ATOM 0 HE2 MET A 10 -3.817 -22.515 5.028 1.00 0.00 H new ATOM 0 HE3 MET A 10 -2.342 -22.232 5.982 1.00 0.00 H new ATOM 156 N MET A 11 -2.468 -25.288 1.803 1.00 0.00 N ATOM 157 CA MET A 11 -3.096 -26.485 2.351 1.00 0.00 C ATOM 158 C MET A 11 -2.931 -26.541 3.866 1.00 0.00 C ATOM 159 O MET A 11 -1.899 -26.134 4.402 1.00 0.00 O ATOM 160 CB MET A 11 -2.495 -27.740 1.714 1.00 0.00 C ATOM 161 CG MET A 11 -3.432 -28.937 1.727 1.00 0.00 C ATOM 162 SD MET A 11 -2.573 -30.494 1.427 1.00 0.00 S ATOM 163 CE MET A 11 -2.324 -30.407 -0.344 1.00 0.00 C ATOM 0 H MET A 11 -1.471 -25.385 1.609 1.00 0.00 H new ATOM 0 HA MET A 11 -4.161 -26.444 2.121 1.00 0.00 H new ATOM 0 HB2 MET A 11 -2.218 -27.517 0.684 1.00 0.00 H new ATOM 0 HB3 MET A 11 -1.578 -28.001 2.241 1.00 0.00 H new ATOM 0 HG2 MET A 11 -3.939 -28.986 2.691 1.00 0.00 H new ATOM 0 HG3 MET A 11 -4.202 -28.799 0.968 1.00 0.00 H new ATOM 0 HE1 MET A 11 -1.802 -31.302 -0.683 1.00 0.00 H new ATOM 0 HE2 MET A 11 -3.290 -30.339 -0.844 1.00 0.00 H new ATOM 0 HE3 MET A 11 -1.728 -29.527 -0.585 1.00 0.00 H new ATOM 173 N ILE A 12 -3.952 -27.046 4.550 1.00 0.00 N ATOM 174 CA ILE A 12 -3.918 -27.154 6.004 1.00 0.00 C ATOM 175 C ILE A 12 -4.796 -28.302 6.490 1.00 0.00 C ATOM 176 O ILE A 12 -5.991 -28.347 6.203 1.00 0.00 O ATOM 177 CB ILE A 12 -4.380 -25.849 6.677 1.00 0.00 C ATOM 178 CG1 ILE A 12 -5.674 -25.347 6.032 1.00 0.00 C ATOM 179 CG2 ILE A 12 -3.291 -24.790 6.585 1.00 0.00 C ATOM 180 CD1 ILE A 12 -6.670 -24.793 7.026 1.00 0.00 C ATOM 0 H ILE A 12 -4.813 -27.387 4.121 1.00 0.00 H new ATOM 0 HA ILE A 12 -2.882 -27.349 6.282 1.00 0.00 H new ATOM 0 HB ILE A 12 -4.575 -26.051 7.730 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.431 -24.573 5.304 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -6.138 -26.166 5.483 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -3.633 -23.873 7.065 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.392 -25.148 7.086 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.067 -24.589 5.537 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -7.562 -24.456 6.498 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -6.943 -25.570 7.740 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -6.224 -23.952 7.558 1.00 0.00 H new ATOM 192 N ALA A 13 -4.193 -29.229 7.228 1.00 0.00 N ATOM 193 CA ALA A 13 -4.921 -30.375 7.758 1.00 0.00 C ATOM 194 C ALA A 13 -5.263 -30.176 9.230 1.00 0.00 C ATOM 195 O ALA A 13 -4.405 -29.808 10.033 1.00 0.00 O ATOM 196 CB ALA A 13 -4.109 -31.648 7.571 1.00 0.00 C ATOM 0 H ALA A 13 -3.203 -29.208 7.472 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.855 -30.468 7.204 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.665 -32.496 7.971 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.920 -31.806 6.509 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.160 -31.555 8.098 1.00 0.00 H new ATOM 202 N PHE A 14 -6.522 -30.420 9.579 1.00 0.00 N ATOM 203 CA PHE A 14 -6.978 -30.265 10.955 1.00 0.00 C ATOM 204 C PHE A 14 -7.724 -31.511 11.425 1.00 0.00 C ATOM 205 O PHE A 14 -8.530 -32.081 10.689 1.00 0.00 O ATOM 206 CB PHE A 14 -7.884 -29.038 11.080 1.00 0.00 C ATOM 207 CG PHE A 14 -9.348 -29.372 11.092 1.00 0.00 C ATOM 208 CD1 PHE A 14 -10.054 -29.496 9.906 1.00 0.00 C ATOM 209 CD2 PHE A 14 -10.019 -29.563 12.290 1.00 0.00 C ATOM 210 CE1 PHE A 14 -11.401 -29.804 9.914 1.00 0.00 C ATOM 211 CE2 PHE A 14 -11.366 -29.871 12.303 1.00 0.00 C ATOM 212 CZ PHE A 14 -12.058 -29.991 11.114 1.00 0.00 C ATOM 0 H PHE A 14 -7.245 -30.726 8.927 1.00 0.00 H new ATOM 0 HA PHE A 14 -6.101 -30.127 11.588 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -7.634 -28.504 11.997 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -7.681 -28.360 10.251 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -9.545 -29.350 8.964 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -9.483 -29.470 13.223 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -11.939 -29.898 8.983 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -11.877 -30.018 13.243 1.00 0.00 H new ATOM 0 HZ PHE A 14 -13.111 -30.231 11.123 1.00 0.00 H new ATOM 222 N THR A 15 -7.448 -31.930 12.656 1.00 0.00 N ATOM 223 CA THR A 15 -8.090 -33.109 13.224 1.00 0.00 C ATOM 224 C THR A 15 -9.472 -32.772 13.772 1.00 0.00 C ATOM 225 O THR A 15 -9.598 -32.045 14.758 1.00 0.00 O ATOM 226 CB THR A 15 -7.239 -33.724 14.351 1.00 0.00 C ATOM 227 OG1 THR A 15 -5.856 -33.722 13.978 1.00 0.00 O ATOM 228 CG2 THR A 15 -7.686 -35.146 14.652 1.00 0.00 C ATOM 0 H THR A 15 -6.784 -31.470 13.279 1.00 0.00 H new ATOM 0 HA THR A 15 -8.189 -33.835 12.417 1.00 0.00 H new ATOM 0 HB THR A 15 -7.374 -33.120 15.248 1.00 0.00 H new ATOM 0 HG1 THR A 15 -5.322 -34.113 14.701 1.00 0.00 H new ATOM 0 HG21 THR A 15 -7.071 -35.559 15.451 1.00 0.00 H new ATOM 0 HG22 THR A 15 -8.730 -35.141 14.964 1.00 0.00 H new ATOM 0 HG23 THR A 15 -7.578 -35.759 13.757 1.00 0.00 H new ATOM 236 N CYS A 16 -10.504 -33.305 13.129 1.00 0.00 N ATOM 237 CA CYS A 16 -11.878 -33.060 13.552 1.00 0.00 C ATOM 238 C CYS A 16 -12.154 -33.709 14.905 1.00 0.00 C ATOM 239 O CYS A 16 -12.207 -34.934 15.019 1.00 0.00 O ATOM 240 CB CYS A 16 -12.859 -33.594 12.508 1.00 0.00 C ATOM 241 SG CYS A 16 -14.574 -33.091 12.780 1.00 0.00 S ATOM 0 H CYS A 16 -10.416 -33.910 12.312 1.00 0.00 H new ATOM 0 HA CYS A 16 -12.015 -31.983 13.650 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -12.544 -33.253 11.522 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -12.808 -34.683 12.501 1.00 0.00 H new ATOM 0 HG CYS A 16 -15.373 -34.007 12.320 1.00 0.00 H new ATOM 246 N LYS A 17 -12.327 -32.880 15.929 1.00 0.00 N ATOM 247 CA LYS A 17 -12.596 -33.371 17.275 1.00 0.00 C ATOM 248 C LYS A 17 -14.004 -33.952 17.370 1.00 0.00 C ATOM 249 O LYS A 17 -14.359 -34.587 18.364 1.00 0.00 O ATOM 250 CB LYS A 17 -12.428 -32.243 18.295 1.00 0.00 C ATOM 251 CG LYS A 17 -10.987 -31.798 18.477 1.00 0.00 C ATOM 252 CD LYS A 17 -10.155 -32.869 19.163 1.00 0.00 C ATOM 253 CE LYS A 17 -8.839 -32.307 19.678 1.00 0.00 C ATOM 254 NZ LYS A 17 -7.857 -32.099 18.578 1.00 0.00 N ATOM 0 H LYS A 17 -12.286 -31.864 15.852 1.00 0.00 H new ATOM 0 HA LYS A 17 -11.879 -34.162 17.497 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -13.027 -31.388 17.981 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -12.822 -32.572 19.256 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -10.552 -31.565 17.505 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.960 -30.882 19.067 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -10.720 -33.294 19.993 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -9.956 -33.681 18.463 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -9.022 -31.360 20.185 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -8.418 -32.988 20.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -6.973 -31.715 18.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -7.663 -33.007 18.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -8.248 -31.429 17.885 1.00 0.00 H new ATOM 268 N LYS A 18 -14.802 -33.731 16.331 1.00 0.00 N ATOM 269 CA LYS A 18 -16.170 -34.234 16.296 1.00 0.00 C ATOM 270 C LYS A 18 -16.188 -35.748 16.110 1.00 0.00 C ATOM 271 O LYS A 18 -16.713 -36.480 16.950 1.00 0.00 O ATOM 272 CB LYS A 18 -16.954 -33.561 15.167 1.00 0.00 C ATOM 273 CG LYS A 18 -18.414 -33.315 15.503 1.00 0.00 C ATOM 274 CD LYS A 18 -18.574 -32.172 16.492 1.00 0.00 C ATOM 275 CE LYS A 18 -19.884 -31.429 16.278 1.00 0.00 C ATOM 276 NZ LYS A 18 -20.431 -30.890 17.554 1.00 0.00 N ATOM 0 H LYS A 18 -14.525 -33.206 15.501 1.00 0.00 H new ATOM 0 HA LYS A 18 -16.643 -33.997 17.249 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -16.481 -32.610 14.924 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -16.895 -34.183 14.274 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -18.965 -33.087 14.590 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -18.850 -34.222 15.921 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -18.538 -32.562 17.509 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -17.740 -31.479 16.386 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -19.727 -30.610 15.576 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -20.613 -32.101 15.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -21.324 -30.391 17.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -20.605 -31.673 18.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -19.746 -30.229 17.973 1.00 0.00 H new ATOM 290 N CYS A 19 -15.613 -36.210 15.005 1.00 0.00 N ATOM 291 CA CYS A 19 -15.563 -37.637 14.709 1.00 0.00 C ATOM 292 C CYS A 19 -14.120 -38.128 14.637 1.00 0.00 C ATOM 293 O CYS A 19 -13.829 -39.140 14.002 1.00 0.00 O ATOM 294 CB CYS A 19 -16.280 -37.932 13.391 1.00 0.00 C ATOM 295 SG CYS A 19 -15.792 -36.849 12.028 1.00 0.00 S ATOM 0 H CYS A 19 -15.175 -35.617 14.300 1.00 0.00 H new ATOM 0 HA CYS A 19 -16.069 -38.167 15.516 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -16.085 -38.966 13.107 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -17.355 -37.841 13.546 1.00 0.00 H new ATOM 0 HG CYS A 19 -14.688 -36.235 12.335 1.00 0.00 H new ATOM 300 N ASN A 20 -13.220 -37.400 15.292 1.00 0.00 N ATOM 301 CA ASN A 20 -11.807 -37.760 15.300 1.00 0.00 C ATOM 302 C ASN A 20 -11.315 -38.066 13.888 1.00 0.00 C ATOM 303 O ASN A 20 -10.467 -38.936 13.689 1.00 0.00 O ATOM 304 CB ASN A 20 -11.572 -38.970 16.207 1.00 0.00 C ATOM 305 CG ASN A 20 -10.106 -39.168 16.538 1.00 0.00 C ATOM 306 OD1 ASN A 20 -9.509 -38.374 17.264 1.00 0.00 O ATOM 307 ND2 ASN A 20 -9.518 -40.233 16.005 1.00 0.00 N ATOM 0 H ASN A 20 -13.444 -36.559 15.823 1.00 0.00 H new ATOM 0 HA ASN A 20 -11.244 -36.910 15.686 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -12.136 -38.843 17.131 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -11.956 -39.866 15.719 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -8.533 -40.419 16.192 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -10.052 -40.865 15.408 1.00 0.00 H new ATOM 314 N THR A 21 -11.853 -37.343 12.910 1.00 0.00 N ATOM 315 CA THR A 21 -11.470 -37.537 11.518 1.00 0.00 C ATOM 316 C THR A 21 -10.634 -36.368 11.010 1.00 0.00 C ATOM 317 O THR A 21 -11.122 -35.244 10.902 1.00 0.00 O ATOM 318 CB THR A 21 -12.706 -37.700 10.613 1.00 0.00 C ATOM 319 OG1 THR A 21 -13.469 -38.840 11.026 1.00 0.00 O ATOM 320 CG2 THR A 21 -12.294 -37.861 9.157 1.00 0.00 C ATOM 0 H THR A 21 -12.555 -36.618 13.057 1.00 0.00 H new ATOM 0 HA THR A 21 -10.876 -38.450 11.478 1.00 0.00 H new ATOM 0 HB THR A 21 -13.316 -36.801 10.705 1.00 0.00 H new ATOM 0 HG1 THR A 21 -14.311 -38.542 11.429 1.00 0.00 H new ATOM 0 HG21 THR A 21 -13.184 -37.974 8.538 1.00 0.00 H new ATOM 0 HG22 THR A 21 -11.739 -36.980 8.836 1.00 0.00 H new ATOM 0 HG23 THR A 21 -11.664 -38.744 9.053 1.00 0.00 H new ATOM 328 N ARG A 22 -9.371 -36.642 10.698 1.00 0.00 N ATOM 329 CA ARG A 22 -8.466 -35.612 10.202 1.00 0.00 C ATOM 330 C ARG A 22 -8.515 -35.534 8.679 1.00 0.00 C ATOM 331 O ARG A 22 -8.349 -36.540 7.990 1.00 0.00 O ATOM 332 CB ARG A 22 -7.035 -35.895 10.663 1.00 0.00 C ATOM 333 CG ARG A 22 -6.021 -34.882 10.158 1.00 0.00 C ATOM 334 CD ARG A 22 -4.601 -35.284 10.525 1.00 0.00 C ATOM 335 NE ARG A 22 -4.114 -34.563 11.698 1.00 0.00 N ATOM 336 CZ ARG A 22 -3.000 -34.883 12.347 1.00 0.00 C ATOM 337 NH1 ARG A 22 -2.262 -35.906 11.939 1.00 0.00 N ATOM 338 NH2 ARG A 22 -2.623 -34.179 13.406 1.00 0.00 N ATOM 0 H ARG A 22 -8.952 -37.568 10.780 1.00 0.00 H new ATOM 0 HA ARG A 22 -8.788 -34.654 10.609 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -7.010 -35.910 11.753 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -6.743 -36.889 10.324 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -6.106 -34.790 9.075 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -6.243 -33.902 10.580 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -4.566 -36.356 10.718 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -3.940 -35.091 9.680 1.00 0.00 H new ATOM 0 HE ARG A 22 -4.659 -33.770 12.037 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -2.549 -36.449 11.125 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -1.407 -36.150 12.439 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -3.189 -33.391 13.723 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -1.768 -34.425 13.904 1.00 0.00 H new ATOM 352 N SER A 23 -8.745 -34.331 8.160 1.00 0.00 N ATOM 353 CA SER A 23 -8.820 -34.122 6.719 1.00 0.00 C ATOM 354 C SER A 23 -8.056 -32.866 6.312 1.00 0.00 C ATOM 355 O SER A 23 -7.927 -31.924 7.094 1.00 0.00 O ATOM 356 CB SER A 23 -10.280 -34.012 6.274 1.00 0.00 C ATOM 357 OG SER A 23 -10.378 -33.424 4.989 1.00 0.00 O ATOM 0 H SER A 23 -8.882 -33.487 8.716 1.00 0.00 H new ATOM 0 HA SER A 23 -8.361 -34.980 6.227 1.00 0.00 H new ATOM 0 HB2 SER A 23 -10.735 -35.002 6.260 1.00 0.00 H new ATOM 0 HB3 SER A 23 -10.839 -33.415 6.994 1.00 0.00 H new ATOM 0 HG SER A 23 -10.809 -32.547 5.063 1.00 0.00 H new ATOM 363 N SER A 24 -7.552 -32.860 5.082 1.00 0.00 N ATOM 364 CA SER A 24 -6.798 -31.721 4.571 1.00 0.00 C ATOM 365 C SER A 24 -7.683 -30.826 3.709 1.00 0.00 C ATOM 366 O SER A 24 -8.569 -31.305 3.002 1.00 0.00 O ATOM 367 CB SER A 24 -5.595 -32.203 3.758 1.00 0.00 C ATOM 368 OG SER A 24 -5.757 -33.554 3.360 1.00 0.00 O ATOM 0 H SER A 24 -7.652 -33.631 4.421 1.00 0.00 H new ATOM 0 HA SER A 24 -6.443 -31.140 5.422 1.00 0.00 H new ATOM 0 HB2 SER A 24 -5.472 -31.573 2.877 1.00 0.00 H new ATOM 0 HB3 SER A 24 -4.687 -32.102 4.352 1.00 0.00 H new ATOM 0 HG SER A 24 -4.976 -33.838 2.841 1.00 0.00 H new ATOM 374 N HIS A 25 -7.435 -29.521 3.774 1.00 0.00 N ATOM 375 CA HIS A 25 -8.209 -28.557 3.000 1.00 0.00 C ATOM 376 C HIS A 25 -7.318 -27.427 2.494 1.00 0.00 C ATOM 377 O HIS A 25 -6.548 -26.840 3.256 1.00 0.00 O ATOM 378 CB HIS A 25 -9.346 -27.986 3.847 1.00 0.00 C ATOM 379 CG HIS A 25 -9.972 -28.990 4.765 1.00 0.00 C ATOM 380 ND1 HIS A 25 -9.600 -29.419 5.993 1.00 0.00 N flip ATOM 381 CD2 HIS A 25 -11.123 -29.682 4.451 1.00 0.00 C flip ATOM 382 CE1 HIS A 25 -10.524 -30.352 6.396 1.00 0.00 C flip ATOM 383 NE2 HIS A 25 -11.433 -30.492 5.448 1.00 0.00 N flip ATOM 0 H HIS A 25 -6.705 -29.108 4.354 1.00 0.00 H new ATOM 0 HA HIS A 25 -8.633 -29.075 2.140 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -8.965 -27.154 4.438 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -10.113 -27.583 3.186 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -11.683 -29.578 3.534 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -10.510 -30.885 7.335 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -12.237 -31.119 5.480 1.00 0.00 H new ATOM 391 N THR A 26 -7.427 -27.125 1.204 1.00 0.00 N ATOM 392 CA THR A 26 -6.630 -26.067 0.596 1.00 0.00 C ATOM 393 C THR A 26 -7.487 -24.846 0.281 1.00 0.00 C ATOM 394 O THR A 26 -8.483 -24.944 -0.436 1.00 0.00 O ATOM 395 CB THR A 26 -5.948 -26.550 -0.698 1.00 0.00 C ATOM 396 OG1 THR A 26 -5.636 -27.944 -0.596 1.00 0.00 O ATOM 397 CG2 THR A 26 -4.676 -25.759 -0.967 1.00 0.00 C ATOM 0 H THR A 26 -8.060 -27.599 0.560 1.00 0.00 H new ATOM 0 HA THR A 26 -5.863 -25.792 1.320 1.00 0.00 H new ATOM 0 HB THR A 26 -6.638 -26.392 -1.527 1.00 0.00 H new ATOM 0 HG1 THR A 26 -5.204 -28.244 -1.423 1.00 0.00 H new ATOM 0 HG21 THR A 26 -4.212 -26.118 -1.886 1.00 0.00 H new ATOM 0 HG22 THR A 26 -4.920 -24.702 -1.073 1.00 0.00 H new ATOM 0 HG23 THR A 26 -3.983 -25.890 -0.136 1.00 0.00 H new ATOM 405 N MET A 27 -7.092 -23.697 0.819 1.00 0.00 N ATOM 406 CA MET A 27 -7.824 -22.456 0.592 1.00 0.00 C ATOM 407 C MET A 27 -6.865 -21.282 0.424 1.00 0.00 C ATOM 408 O MET A 27 -5.691 -21.371 0.784 1.00 0.00 O ATOM 409 CB MET A 27 -8.783 -22.185 1.753 1.00 0.00 C ATOM 410 CG MET A 27 -8.079 -21.819 3.049 1.00 0.00 C ATOM 411 SD MET A 27 -7.518 -23.265 3.968 1.00 0.00 S ATOM 412 CE MET A 27 -9.080 -24.064 4.329 1.00 0.00 C ATOM 0 H MET A 27 -6.270 -23.599 1.415 1.00 0.00 H new ATOM 0 HA MET A 27 -8.400 -22.566 -0.327 1.00 0.00 H new ATOM 0 HB2 MET A 27 -9.458 -21.376 1.475 1.00 0.00 H new ATOM 0 HB3 MET A 27 -9.398 -23.070 1.920 1.00 0.00 H new ATOM 0 HG2 MET A 27 -7.224 -21.181 2.826 1.00 0.00 H new ATOM 0 HG3 MET A 27 -8.756 -21.237 3.674 1.00 0.00 H new ATOM 0 HE1 MET A 27 -8.937 -24.802 5.119 1.00 0.00 H new ATOM 0 HE2 MET A 27 -9.803 -23.317 4.656 1.00 0.00 H new ATOM 0 HE3 MET A 27 -9.451 -24.560 3.432 1.00 0.00 H new ATOM 422 N SER A 28 -7.372 -20.183 -0.124 1.00 0.00 N ATOM 423 CA SER A 28 -6.559 -18.992 -0.343 1.00 0.00 C ATOM 424 C SER A 28 -5.959 -18.496 0.969 1.00 0.00 C ATOM 425 O SER A 28 -6.676 -18.231 1.934 1.00 0.00 O ATOM 426 CB SER A 28 -7.399 -17.886 -0.983 1.00 0.00 C ATOM 427 OG SER A 28 -7.602 -18.134 -2.364 1.00 0.00 O ATOM 0 H SER A 28 -8.342 -20.092 -0.425 1.00 0.00 H new ATOM 0 HA SER A 28 -5.745 -19.256 -1.018 1.00 0.00 H new ATOM 0 HB2 SER A 28 -8.362 -17.818 -0.477 1.00 0.00 H new ATOM 0 HB3 SER A 28 -6.901 -16.925 -0.852 1.00 0.00 H new ATOM 0 HG SER A 28 -8.560 -18.242 -2.540 1.00 0.00 H new ATOM 433 N LYS A 29 -4.636 -18.371 0.997 1.00 0.00 N ATOM 434 CA LYS A 29 -3.936 -17.906 2.188 1.00 0.00 C ATOM 435 C LYS A 29 -4.371 -16.491 2.557 1.00 0.00 C ATOM 436 O LYS A 29 -4.357 -16.114 3.729 1.00 0.00 O ATOM 437 CB LYS A 29 -2.423 -17.943 1.963 1.00 0.00 C ATOM 438 CG LYS A 29 -1.916 -16.835 1.056 1.00 0.00 C ATOM 439 CD LYS A 29 -1.482 -15.616 1.854 1.00 0.00 C ATOM 440 CE LYS A 29 -0.385 -14.843 1.138 1.00 0.00 C ATOM 441 NZ LYS A 29 -0.937 -13.741 0.303 1.00 0.00 N ATOM 0 H LYS A 29 -4.027 -18.586 0.207 1.00 0.00 H new ATOM 0 HA LYS A 29 -4.191 -18.573 3.012 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -1.919 -17.871 2.927 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -2.152 -18.907 1.532 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.077 -17.202 0.466 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.700 -16.551 0.354 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -2.340 -14.964 2.019 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -1.126 -15.930 2.835 1.00 0.00 H new ATOM 0 HE2 LYS A 29 0.307 -14.430 1.872 1.00 0.00 H new ATOM 0 HE3 LYS A 29 0.187 -15.524 0.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -0.158 -13.239 -0.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -1.578 -14.137 -0.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -1.462 -13.077 0.907 1.00 0.00 H new ATOM 455 N GLN A 30 -4.759 -15.715 1.551 1.00 0.00 N ATOM 456 CA GLN A 30 -5.199 -14.342 1.771 1.00 0.00 C ATOM 457 C GLN A 30 -6.542 -14.311 2.493 1.00 0.00 C ATOM 458 O GLN A 30 -6.752 -13.505 3.399 1.00 0.00 O ATOM 459 CB GLN A 30 -5.305 -13.599 0.439 1.00 0.00 C ATOM 460 CG GLN A 30 -5.189 -12.089 0.574 1.00 0.00 C ATOM 461 CD GLN A 30 -6.539 -11.400 0.611 1.00 0.00 C ATOM 462 OE1 GLN A 30 -7.314 -11.475 -0.343 1.00 0.00 O ATOM 463 NE2 GLN A 30 -6.829 -10.724 1.717 1.00 0.00 N ATOM 0 H GLN A 30 -4.778 -16.013 0.576 1.00 0.00 H new ATOM 0 HA GLN A 30 -4.459 -13.845 2.398 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -4.523 -13.957 -0.230 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -6.260 -13.841 -0.028 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -4.639 -11.851 1.484 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -4.608 -11.697 -0.261 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -6.157 -10.688 2.484 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -7.724 -10.241 1.800 1.00 0.00 H new ATOM 472 N ALA A 31 -7.449 -15.193 2.085 1.00 0.00 N ATOM 473 CA ALA A 31 -8.771 -15.267 2.694 1.00 0.00 C ATOM 474 C ALA A 31 -8.700 -15.884 4.087 1.00 0.00 C ATOM 475 O ALA A 31 -9.489 -15.543 4.969 1.00 0.00 O ATOM 476 CB ALA A 31 -9.716 -16.065 1.809 1.00 0.00 C ATOM 0 H ALA A 31 -7.292 -15.866 1.335 1.00 0.00 H new ATOM 0 HA ALA A 31 -9.155 -14.252 2.794 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -10.700 -16.112 2.276 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -9.799 -15.581 0.836 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -9.327 -17.075 1.679 1.00 0.00 H new ATOM 482 N TYR A 32 -7.751 -16.793 4.278 1.00 0.00 N ATOM 483 CA TYR A 32 -7.579 -17.460 5.563 1.00 0.00 C ATOM 484 C TYR A 32 -6.867 -16.550 6.559 1.00 0.00 C ATOM 485 O TYR A 32 -7.304 -16.397 7.699 1.00 0.00 O ATOM 486 CB TYR A 32 -6.789 -18.758 5.386 1.00 0.00 C ATOM 487 CG TYR A 32 -6.411 -19.420 6.692 1.00 0.00 C ATOM 488 CD1 TYR A 32 -5.253 -19.057 7.369 1.00 0.00 C ATOM 489 CD2 TYR A 32 -7.214 -20.408 7.251 1.00 0.00 C ATOM 490 CE1 TYR A 32 -4.904 -19.660 8.562 1.00 0.00 C ATOM 491 CE2 TYR A 32 -6.873 -21.015 8.444 1.00 0.00 C ATOM 492 CZ TYR A 32 -5.717 -20.638 9.095 1.00 0.00 C ATOM 493 OH TYR A 32 -5.374 -21.240 10.284 1.00 0.00 O ATOM 0 H TYR A 32 -7.089 -17.085 3.559 1.00 0.00 H new ATOM 0 HA TYR A 32 -8.568 -17.695 5.956 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -7.380 -19.455 4.793 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -5.882 -18.547 4.819 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -4.615 -18.290 6.955 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -8.120 -20.706 6.744 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -3.999 -19.367 9.074 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -7.508 -21.781 8.865 1.00 0.00 H new ATOM 0 HH TYR A 32 -6.053 -21.906 10.521 1.00 0.00 H new ATOM 503 N GLU A 33 -5.767 -15.947 6.118 1.00 0.00 N ATOM 504 CA GLU A 33 -4.993 -15.052 6.970 1.00 0.00 C ATOM 505 C GLU A 33 -5.687 -13.700 7.110 1.00 0.00 C ATOM 506 O GLU A 33 -5.480 -12.981 8.088 1.00 0.00 O ATOM 507 CB GLU A 33 -3.586 -14.858 6.401 1.00 0.00 C ATOM 508 CG GLU A 33 -2.710 -16.095 6.511 1.00 0.00 C ATOM 509 CD GLU A 33 -1.232 -15.775 6.392 1.00 0.00 C ATOM 510 OE1 GLU A 33 -0.896 -14.765 5.738 1.00 0.00 O ATOM 511 OE2 GLU A 33 -0.413 -16.533 6.951 1.00 0.00 O ATOM 0 H GLU A 33 -5.392 -16.062 5.176 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.918 -15.508 7.957 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -3.664 -14.570 5.353 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -3.102 -14.033 6.923 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.896 -16.584 7.467 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.989 -16.804 5.731 1.00 0.00 H new ATOM 518 N LYS A 34 -6.512 -13.360 6.126 1.00 0.00 N ATOM 519 CA LYS A 34 -7.238 -12.095 6.137 1.00 0.00 C ATOM 520 C LYS A 34 -8.661 -12.281 5.620 1.00 0.00 C ATOM 521 O LYS A 34 -9.006 -11.803 4.540 1.00 0.00 O ATOM 522 CB LYS A 34 -6.506 -11.055 5.286 1.00 0.00 C ATOM 523 CG LYS A 34 -4.993 -11.170 5.354 1.00 0.00 C ATOM 524 CD LYS A 34 -4.319 -9.845 5.041 1.00 0.00 C ATOM 525 CE LYS A 34 -3.028 -10.046 4.261 1.00 0.00 C ATOM 526 NZ LYS A 34 -2.858 -9.019 3.196 1.00 0.00 N ATOM 0 H LYS A 34 -6.695 -13.943 5.310 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.287 -11.742 7.167 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.824 -11.158 4.248 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -6.801 -10.058 5.612 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.697 -11.504 6.348 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.653 -11.928 4.649 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -4.999 -9.217 4.465 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -4.105 -9.316 5.970 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -2.180 -10.004 4.945 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -3.026 -11.039 3.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -1.967 -9.190 2.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -3.654 -9.076 2.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -2.834 -8.073 3.627 1.00 0.00 H new ATOM 540 N GLY A 35 -9.484 -12.976 6.400 1.00 0.00 N ATOM 541 CA GLY A 35 -10.860 -13.210 6.003 1.00 0.00 C ATOM 542 C GLY A 35 -11.446 -14.450 6.649 1.00 0.00 C ATOM 543 O GLY A 35 -10.760 -15.160 7.385 1.00 0.00 O ATOM 0 H GLY A 35 -9.222 -13.381 7.299 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -11.465 -12.344 6.271 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -10.910 -13.310 4.919 1.00 0.00 H new ATOM 547 N THR A 36 -12.721 -14.711 6.375 1.00 0.00 N ATOM 548 CA THR A 36 -13.400 -15.872 6.936 1.00 0.00 C ATOM 549 C THR A 36 -13.250 -17.089 6.030 1.00 0.00 C ATOM 550 O THR A 36 -13.406 -16.992 4.813 1.00 0.00 O ATOM 551 CB THR A 36 -14.899 -15.593 7.157 1.00 0.00 C ATOM 552 OG1 THR A 36 -15.073 -14.320 7.789 1.00 0.00 O ATOM 553 CG2 THR A 36 -15.531 -16.680 8.013 1.00 0.00 C ATOM 0 H THR A 36 -13.303 -14.134 5.768 1.00 0.00 H new ATOM 0 HA THR A 36 -12.930 -16.079 7.897 1.00 0.00 H new ATOM 0 HB THR A 36 -15.391 -15.585 6.185 1.00 0.00 H new ATOM 0 HG1 THR A 36 -15.532 -14.441 8.647 1.00 0.00 H new ATOM 0 HG21 THR A 36 -16.589 -16.462 8.155 1.00 0.00 H new ATOM 0 HG22 THR A 36 -15.423 -17.644 7.515 1.00 0.00 H new ATOM 0 HG23 THR A 36 -15.034 -16.715 8.982 1.00 0.00 H new ATOM 561 N VAL A 37 -12.946 -18.234 6.632 1.00 0.00 N ATOM 562 CA VAL A 37 -12.776 -19.471 5.879 1.00 0.00 C ATOM 563 C VAL A 37 -13.530 -20.622 6.535 1.00 0.00 C ATOM 564 O VAL A 37 -13.417 -20.845 7.742 1.00 0.00 O ATOM 565 CB VAL A 37 -11.289 -19.852 5.753 1.00 0.00 C ATOM 566 CG1 VAL A 37 -10.601 -18.984 4.710 1.00 0.00 C ATOM 567 CG2 VAL A 37 -10.593 -19.733 7.101 1.00 0.00 C ATOM 0 H VAL A 37 -12.812 -18.331 7.639 1.00 0.00 H new ATOM 0 HA VAL A 37 -13.184 -19.294 4.884 1.00 0.00 H new ATOM 0 HB VAL A 37 -11.224 -20.890 5.426 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -9.551 -19.268 4.635 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -11.085 -19.125 3.743 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -10.673 -17.937 5.003 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -9.543 -20.006 6.994 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -10.666 -18.706 7.459 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -11.070 -20.402 7.817 1.00 0.00 H new ATOM 577 N LEU A 38 -14.298 -21.352 5.734 1.00 0.00 N ATOM 578 CA LEU A 38 -15.072 -22.482 6.237 1.00 0.00 C ATOM 579 C LEU A 38 -14.689 -23.769 5.513 1.00 0.00 C ATOM 580 O LEU A 38 -14.592 -23.797 4.286 1.00 0.00 O ATOM 581 CB LEU A 38 -16.569 -22.215 6.069 1.00 0.00 C ATOM 582 CG LEU A 38 -17.237 -21.413 7.187 1.00 0.00 C ATOM 583 CD1 LEU A 38 -16.552 -20.066 7.359 1.00 0.00 C ATOM 584 CD2 LEU A 38 -18.719 -21.227 6.897 1.00 0.00 C ATOM 0 H LEU A 38 -14.402 -21.182 4.734 1.00 0.00 H new ATOM 0 HA LEU A 38 -14.847 -22.602 7.297 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -16.720 -21.685 5.129 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -17.081 -23.173 5.980 1.00 0.00 H new ATOM 0 HG LEU A 38 -17.137 -21.970 8.119 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -17.040 -19.509 8.159 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -15.503 -20.221 7.613 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -16.621 -19.501 6.429 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -19.178 -20.654 7.703 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -18.841 -20.691 5.956 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -19.201 -22.202 6.825 1.00 0.00 H new ATOM 596 N ILE A 39 -14.475 -24.832 6.281 1.00 0.00 N ATOM 597 CA ILE A 39 -14.106 -26.122 5.712 1.00 0.00 C ATOM 598 C ILE A 39 -15.032 -27.227 6.210 1.00 0.00 C ATOM 599 O ILE A 39 -15.441 -27.232 7.371 1.00 0.00 O ATOM 600 CB ILE A 39 -12.651 -26.494 6.055 1.00 0.00 C ATOM 601 CG1 ILE A 39 -12.379 -26.260 7.543 1.00 0.00 C ATOM 602 CG2 ILE A 39 -11.683 -25.688 5.201 1.00 0.00 C ATOM 603 CD1 ILE A 39 -11.293 -27.149 8.106 1.00 0.00 C ATOM 0 H ILE A 39 -14.551 -24.825 7.298 1.00 0.00 H new ATOM 0 HA ILE A 39 -14.203 -26.029 4.630 1.00 0.00 H new ATOM 0 HB ILE A 39 -12.501 -27.552 5.839 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -12.098 -25.218 7.693 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -13.299 -26.426 8.103 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -10.659 -25.962 5.455 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -11.865 -25.899 4.147 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -11.831 -24.625 5.388 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -11.154 -26.928 9.164 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -11.580 -28.194 7.988 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -10.360 -26.967 7.572 1.00 0.00 H new ATOM 615 N SER A 40 -15.357 -28.163 5.324 1.00 0.00 N ATOM 616 CA SER A 40 -16.236 -29.273 5.672 1.00 0.00 C ATOM 617 C SER A 40 -15.435 -30.555 5.883 1.00 0.00 C ATOM 618 O SER A 40 -14.527 -30.866 5.112 1.00 0.00 O ATOM 619 CB SER A 40 -17.282 -29.486 4.576 1.00 0.00 C ATOM 620 OG SER A 40 -18.351 -30.292 5.041 1.00 0.00 O ATOM 0 H SER A 40 -15.025 -28.175 4.360 1.00 0.00 H new ATOM 0 HA SER A 40 -16.743 -29.024 6.604 1.00 0.00 H new ATOM 0 HB2 SER A 40 -17.667 -28.522 4.244 1.00 0.00 H new ATOM 0 HB3 SER A 40 -16.816 -29.958 3.711 1.00 0.00 H new ATOM 0 HG SER A 40 -19.007 -30.412 4.323 1.00 0.00 H new ATOM 626 N CYS A 41 -15.779 -31.293 6.933 1.00 0.00 N ATOM 627 CA CYS A 41 -15.092 -32.541 7.247 1.00 0.00 C ATOM 628 C CYS A 41 -15.719 -33.711 6.495 1.00 0.00 C ATOM 629 O CYS A 41 -16.902 -34.016 6.647 1.00 0.00 O ATOM 630 CB CYS A 41 -15.135 -32.805 8.753 1.00 0.00 C ATOM 631 SG CYS A 41 -14.515 -34.434 9.234 1.00 0.00 S ATOM 0 H CYS A 41 -16.528 -31.049 7.580 1.00 0.00 H new ATOM 0 HA CYS A 41 -14.053 -32.445 6.931 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -14.549 -32.040 9.262 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -16.163 -32.702 9.100 1.00 0.00 H new ATOM 0 HG CYS A 41 -14.432 -34.502 10.530 1.00 0.00 H new ATOM 636 N PRO A 42 -14.909 -34.381 5.662 1.00 0.00 N ATOM 637 CA PRO A 42 -15.363 -35.527 4.869 1.00 0.00 C ATOM 638 C PRO A 42 -15.651 -36.751 5.731 1.00 0.00 C ATOM 639 O PRO A 42 -14.945 -37.757 5.655 1.00 0.00 O ATOM 640 CB PRO A 42 -14.183 -35.799 3.932 1.00 0.00 C ATOM 641 CG PRO A 42 -12.996 -35.260 4.652 1.00 0.00 C ATOM 642 CD PRO A 42 -13.488 -34.072 5.432 1.00 0.00 C ATOM 0 HA PRO A 42 -16.299 -35.319 4.350 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -14.074 -36.865 3.732 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -14.320 -35.306 2.970 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -12.567 -36.012 5.315 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -12.213 -34.970 3.951 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -12.945 -33.954 6.370 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -13.364 -33.145 4.873 1.00 0.00 H new ATOM 650 N HIS A 43 -16.694 -36.660 6.550 1.00 0.00 N ATOM 651 CA HIS A 43 -17.077 -37.761 7.426 1.00 0.00 C ATOM 652 C HIS A 43 -18.373 -37.442 8.166 1.00 0.00 C ATOM 653 O HIS A 43 -19.409 -38.059 7.916 1.00 0.00 O ATOM 654 CB HIS A 43 -15.961 -38.053 8.430 1.00 0.00 C ATOM 655 CG HIS A 43 -16.005 -39.443 8.987 1.00 0.00 C ATOM 656 ND1 HIS A 43 -15.646 -40.557 8.258 1.00 0.00 N ATOM 657 CD2 HIS A 43 -16.367 -39.896 10.210 1.00 0.00 C ATOM 658 CE1 HIS A 43 -15.787 -41.636 9.008 1.00 0.00 C ATOM 659 NE2 HIS A 43 -16.223 -41.262 10.198 1.00 0.00 N ATOM 0 H HIS A 43 -17.289 -35.835 6.625 1.00 0.00 H new ATOM 0 HA HIS A 43 -17.241 -38.644 6.808 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -14.997 -37.895 7.946 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -16.026 -37.339 9.251 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -16.706 -39.295 11.041 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -15.581 -42.651 8.701 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -16.420 -41.886 10.980 1.00 0.00 H new ATOM 667 N CYS A 44 -18.306 -36.477 9.077 1.00 0.00 N ATOM 668 CA CYS A 44 -19.474 -36.078 9.854 1.00 0.00 C ATOM 669 C CYS A 44 -20.392 -35.178 9.033 1.00 0.00 C ATOM 670 O CYS A 44 -21.520 -34.892 9.434 1.00 0.00 O ATOM 671 CB CYS A 44 -19.040 -35.355 11.130 1.00 0.00 C ATOM 672 SG CYS A 44 -17.993 -33.909 10.839 1.00 0.00 S ATOM 0 H CYS A 44 -17.456 -35.957 9.295 1.00 0.00 H new ATOM 0 HA CYS A 44 -20.025 -36.979 10.124 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -19.929 -35.042 11.678 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -18.503 -36.057 11.768 1.00 0.00 H new ATOM 0 HG CYS A 44 -16.856 -34.290 10.338 1.00 0.00 H new ATOM 677 N LYS A 45 -19.900 -34.734 7.881 1.00 0.00 N ATOM 678 CA LYS A 45 -20.675 -33.867 7.002 1.00 0.00 C ATOM 679 C LYS A 45 -21.091 -32.590 7.726 1.00 0.00 C ATOM 680 O LYS A 45 -22.216 -32.480 8.214 1.00 0.00 O ATOM 681 CB LYS A 45 -21.915 -34.602 6.489 1.00 0.00 C ATOM 682 CG LYS A 45 -21.597 -35.732 5.525 1.00 0.00 C ATOM 683 CD LYS A 45 -21.302 -35.207 4.130 1.00 0.00 C ATOM 684 CE LYS A 45 -22.550 -35.201 3.261 1.00 0.00 C ATOM 685 NZ LYS A 45 -23.350 -33.959 3.449 1.00 0.00 N ATOM 0 H LYS A 45 -18.968 -34.961 7.535 1.00 0.00 H new ATOM 0 HA LYS A 45 -20.046 -33.595 6.155 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -22.466 -35.005 7.339 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -22.572 -33.887 5.994 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -20.739 -36.294 5.892 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -22.438 -36.424 5.484 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -20.900 -34.196 4.198 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -20.535 -35.824 3.663 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -22.264 -35.294 2.213 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -23.164 -36.069 3.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -23.980 -33.825 2.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -23.919 -34.040 4.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -22.710 -33.143 3.530 1.00 0.00 H new ATOM 699 N VAL A 46 -20.177 -31.627 7.791 1.00 0.00 N ATOM 700 CA VAL A 46 -20.451 -30.357 8.453 1.00 0.00 C ATOM 701 C VAL A 46 -19.281 -29.392 8.295 1.00 0.00 C ATOM 702 O VAL A 46 -18.123 -29.807 8.245 1.00 0.00 O ATOM 703 CB VAL A 46 -20.738 -30.557 9.953 1.00 0.00 C ATOM 704 CG1 VAL A 46 -19.454 -30.866 10.706 1.00 0.00 C ATOM 705 CG2 VAL A 46 -21.423 -29.328 10.531 1.00 0.00 C ATOM 0 H VAL A 46 -19.241 -31.702 7.393 1.00 0.00 H new ATOM 0 HA VAL A 46 -21.334 -29.934 7.975 1.00 0.00 H new ATOM 0 HB VAL A 46 -21.410 -31.407 10.067 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -19.677 -31.004 11.764 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -19.009 -31.777 10.307 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -18.755 -30.038 10.588 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -21.619 -29.486 11.592 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -20.777 -28.459 10.407 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -22.365 -29.157 10.010 1.00 0.00 H new ATOM 715 N ARG A 47 -19.591 -28.102 8.217 1.00 0.00 N ATOM 716 CA ARG A 47 -18.566 -27.077 8.064 1.00 0.00 C ATOM 717 C ARG A 47 -18.152 -26.516 9.421 1.00 0.00 C ATOM 718 O ARG A 47 -18.952 -26.467 10.355 1.00 0.00 O ATOM 719 CB ARG A 47 -19.074 -25.948 7.166 1.00 0.00 C ATOM 720 CG ARG A 47 -19.123 -26.316 5.692 1.00 0.00 C ATOM 721 CD ARG A 47 -20.288 -27.246 5.389 1.00 0.00 C ATOM 722 NE ARG A 47 -21.097 -26.763 4.273 1.00 0.00 N ATOM 723 CZ ARG A 47 -22.120 -27.438 3.761 1.00 0.00 C ATOM 724 NH1 ARG A 47 -22.456 -28.619 4.261 1.00 0.00 N ATOM 725 NH2 ARG A 47 -22.808 -26.932 2.745 1.00 0.00 N ATOM 0 H ARG A 47 -20.544 -27.742 8.257 1.00 0.00 H new ATOM 0 HA ARG A 47 -17.694 -27.537 7.599 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -20.073 -25.657 7.492 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -18.431 -25.077 7.293 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -19.213 -25.410 5.092 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -18.188 -26.797 5.404 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -19.907 -28.241 5.157 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -20.914 -27.343 6.276 1.00 0.00 H new ATOM 0 HE ARG A 47 -20.864 -25.858 3.865 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -21.928 -29.011 5.041 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -23.242 -29.135 3.866 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -22.551 -26.024 2.357 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -23.593 -27.451 2.352 1.00 0.00 H new ATOM 739 N HIS A 48 -16.895 -26.093 9.522 1.00 0.00 N ATOM 740 CA HIS A 48 -16.375 -25.535 10.765 1.00 0.00 C ATOM 741 C HIS A 48 -15.514 -24.306 10.490 1.00 0.00 C ATOM 742 O HIS A 48 -14.892 -24.194 9.432 1.00 0.00 O ATOM 743 CB HIS A 48 -15.558 -26.585 11.518 1.00 0.00 C ATOM 744 CG HIS A 48 -15.460 -27.896 10.799 1.00 0.00 C ATOM 745 ND1 HIS A 48 -16.358 -28.925 10.986 1.00 0.00 N ATOM 746 CD2 HIS A 48 -14.563 -28.341 9.888 1.00 0.00 C ATOM 747 CE1 HIS A 48 -16.018 -29.948 10.222 1.00 0.00 C ATOM 748 NE2 HIS A 48 -14.932 -29.619 9.545 1.00 0.00 N ATOM 0 H HIS A 48 -16.219 -26.126 8.759 1.00 0.00 H new ATOM 0 HA HIS A 48 -17.222 -25.234 11.381 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -14.554 -26.198 11.689 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -16.007 -26.750 12.497 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -17.160 -28.900 11.616 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -13.716 -27.793 9.503 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -16.539 -30.892 10.161 1.00 0.00 H new ATOM 756 N LEU A 49 -15.483 -23.385 11.446 1.00 0.00 N ATOM 757 CA LEU A 49 -14.699 -22.162 11.307 1.00 0.00 C ATOM 758 C LEU A 49 -13.242 -22.403 11.689 1.00 0.00 C ATOM 759 O LEU A 49 -12.953 -23.028 12.710 1.00 0.00 O ATOM 760 CB LEU A 49 -15.290 -21.052 12.178 1.00 0.00 C ATOM 761 CG LEU A 49 -14.446 -19.784 12.312 1.00 0.00 C ATOM 762 CD1 LEU A 49 -14.507 -18.964 11.033 1.00 0.00 C ATOM 763 CD2 LEU A 49 -14.913 -18.956 13.501 1.00 0.00 C ATOM 0 H LEU A 49 -15.992 -23.461 12.327 1.00 0.00 H new ATOM 0 HA LEU A 49 -14.735 -21.853 10.262 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -16.262 -20.776 11.770 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -15.466 -21.455 13.175 1.00 0.00 H new ATOM 0 HG LEU A 49 -13.410 -20.077 12.482 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -13.900 -18.066 11.147 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -14.124 -19.557 10.202 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -15.540 -18.681 10.831 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -14.301 -18.057 13.581 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -15.956 -18.673 13.360 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -14.816 -19.544 14.414 1.00 0.00 H new ATOM 775 N ILE A 50 -12.329 -21.901 10.864 1.00 0.00 N ATOM 776 CA ILE A 50 -10.903 -22.059 11.118 1.00 0.00 C ATOM 777 C ILE A 50 -10.243 -20.715 11.406 1.00 0.00 C ATOM 778 O ILE A 50 -9.519 -20.565 12.390 1.00 0.00 O ATOM 779 CB ILE A 50 -10.189 -22.723 9.925 1.00 0.00 C ATOM 780 CG1 ILE A 50 -11.103 -22.734 8.698 1.00 0.00 C ATOM 781 CG2 ILE A 50 -9.760 -24.138 10.286 1.00 0.00 C ATOM 782 CD1 ILE A 50 -10.419 -23.224 7.440 1.00 0.00 C ATOM 0 H ILE A 50 -12.552 -21.382 10.015 1.00 0.00 H new ATOM 0 HA ILE A 50 -10.808 -22.702 11.993 1.00 0.00 H new ATOM 0 HB ILE A 50 -9.297 -22.144 9.685 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -11.966 -23.368 8.903 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -11.481 -21.726 8.527 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -9.257 -24.594 9.433 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -9.078 -24.106 11.135 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -10.638 -24.729 10.548 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -11.126 -23.205 6.611 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -9.573 -22.577 7.210 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -10.065 -24.244 7.592 1.00 0.00 H new ATOM 794 N ALA A 51 -10.501 -19.738 10.542 1.00 0.00 N ATOM 795 CA ALA A 51 -9.936 -18.405 10.706 1.00 0.00 C ATOM 796 C ALA A 51 -10.999 -17.330 10.508 1.00 0.00 C ATOM 797 O ALA A 51 -11.381 -17.022 9.378 1.00 0.00 O ATOM 798 CB ALA A 51 -8.784 -18.197 9.734 1.00 0.00 C ATOM 0 H ALA A 51 -11.098 -19.845 9.722 1.00 0.00 H new ATOM 0 HA ALA A 51 -9.557 -18.320 11.725 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -8.371 -17.197 9.867 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -8.008 -18.938 9.925 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -9.146 -18.307 8.712 1.00 0.00 H new ATOM 804 N ASP A 52 -11.474 -16.763 11.611 1.00 0.00 N ATOM 805 CA ASP A 52 -12.494 -15.722 11.559 1.00 0.00 C ATOM 806 C ASP A 52 -11.855 -14.337 11.549 1.00 0.00 C ATOM 807 O ASP A 52 -11.207 -13.934 12.516 1.00 0.00 O ATOM 808 CB ASP A 52 -13.446 -15.851 12.748 1.00 0.00 C ATOM 809 CG ASP A 52 -12.713 -16.080 14.055 1.00 0.00 C ATOM 810 OD1 ASP A 52 -12.157 -17.184 14.239 1.00 0.00 O ATOM 811 OD2 ASP A 52 -12.693 -15.155 14.894 1.00 0.00 O ATOM 0 H ASP A 52 -11.169 -17.007 12.553 1.00 0.00 H new ATOM 0 HA ASP A 52 -13.061 -15.848 10.636 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -14.049 -14.946 12.827 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -14.134 -16.678 12.571 1.00 0.00 H new ATOM 816 N HIS A 53 -12.043 -13.612 10.451 1.00 0.00 N ATOM 817 CA HIS A 53 -11.485 -12.271 10.316 1.00 0.00 C ATOM 818 C HIS A 53 -12.583 -11.252 10.028 1.00 0.00 C ATOM 819 O HIS A 53 -12.524 -10.112 10.492 1.00 0.00 O ATOM 820 CB HIS A 53 -10.440 -12.240 9.200 1.00 0.00 C ATOM 821 CG HIS A 53 -9.034 -12.112 9.699 1.00 0.00 C ATOM 822 ND1 HIS A 53 -8.436 -10.897 9.960 1.00 0.00 N ATOM 823 CD2 HIS A 53 -8.107 -13.055 9.987 1.00 0.00 C ATOM 824 CE1 HIS A 53 -7.201 -11.098 10.385 1.00 0.00 C ATOM 825 NE2 HIS A 53 -6.977 -12.399 10.411 1.00 0.00 N ATOM 0 H HIS A 53 -12.577 -13.930 9.642 1.00 0.00 H new ATOM 0 HA HIS A 53 -11.007 -12.007 11.259 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -10.525 -13.152 8.608 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -10.657 -11.406 8.533 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -8.232 -14.124 9.900 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -6.495 -10.329 10.664 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -6.106 -12.845 10.699 1.00 0.00 H new ATOM 833 N LEU A 54 -13.584 -11.668 9.260 1.00 0.00 N ATOM 834 CA LEU A 54 -14.696 -10.792 8.910 1.00 0.00 C ATOM 835 C LEU A 54 -15.720 -10.734 10.039 1.00 0.00 C ATOM 836 O LEU A 54 -16.661 -9.941 9.998 1.00 0.00 O ATOM 837 CB LEU A 54 -15.366 -11.275 7.623 1.00 0.00 C ATOM 838 CG LEU A 54 -14.429 -11.586 6.454 1.00 0.00 C ATOM 839 CD1 LEU A 54 -15.200 -12.220 5.307 1.00 0.00 C ATOM 840 CD2 LEU A 54 -13.720 -10.322 5.989 1.00 0.00 C ATOM 0 H LEU A 54 -13.648 -12.607 8.868 1.00 0.00 H new ATOM 0 HA LEU A 54 -14.300 -9.789 8.752 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -15.940 -12.173 7.851 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -16.077 -10.515 7.300 1.00 0.00 H new ATOM 0 HG LEU A 54 -13.676 -12.297 6.795 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -14.518 -12.434 4.484 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -15.661 -13.147 5.647 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -15.975 -11.533 4.966 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -13.058 -10.561 5.157 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -14.459 -9.589 5.665 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -13.135 -9.909 6.811 1.00 0.00 H new ATOM 852 N LYS A 55 -15.529 -11.577 11.048 1.00 0.00 N ATOM 853 CA LYS A 55 -16.433 -11.621 12.191 1.00 0.00 C ATOM 854 C LYS A 55 -17.885 -11.708 11.733 1.00 0.00 C ATOM 855 O LYS A 55 -18.737 -10.944 12.188 1.00 0.00 O ATOM 856 CB LYS A 55 -16.238 -10.383 13.069 1.00 0.00 C ATOM 857 CG LYS A 55 -14.802 -10.177 13.520 1.00 0.00 C ATOM 858 CD LYS A 55 -14.710 -9.147 14.634 1.00 0.00 C ATOM 859 CE LYS A 55 -13.311 -9.094 15.228 1.00 0.00 C ATOM 860 NZ LYS A 55 -13.024 -10.281 16.080 1.00 0.00 N ATOM 0 H LYS A 55 -14.755 -12.240 11.097 1.00 0.00 H new ATOM 0 HA LYS A 55 -16.200 -12.513 12.773 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -16.567 -9.502 12.518 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -16.877 -10.467 13.948 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -14.388 -11.125 13.864 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -14.196 -9.854 12.673 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -14.979 -8.165 14.246 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -15.430 -9.389 15.416 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -12.577 -9.038 14.424 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -13.203 -8.186 15.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -12.127 -10.136 16.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -13.793 -10.408 16.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -12.951 -11.128 15.482 1.00 0.00 H new ATOM 874 N ILE A 56 -18.161 -12.644 10.831 1.00 0.00 N ATOM 875 CA ILE A 56 -19.511 -12.832 10.314 1.00 0.00 C ATOM 876 C ILE A 56 -20.398 -13.536 11.336 1.00 0.00 C ATOM 877 O ILE A 56 -21.506 -13.085 11.628 1.00 0.00 O ATOM 878 CB ILE A 56 -19.505 -13.648 9.008 1.00 0.00 C ATOM 879 CG1 ILE A 56 -18.413 -13.136 8.066 1.00 0.00 C ATOM 880 CG2 ILE A 56 -20.868 -13.580 8.335 1.00 0.00 C ATOM 881 CD1 ILE A 56 -18.344 -13.890 6.756 1.00 0.00 C ATOM 0 H ILE A 56 -17.468 -13.284 10.443 1.00 0.00 H new ATOM 0 HA ILE A 56 -19.912 -11.839 10.111 1.00 0.00 H new ATOM 0 HB ILE A 56 -19.292 -14.690 9.248 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -18.588 -12.080 7.860 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -17.448 -13.207 8.568 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -20.848 -14.161 7.413 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -21.625 -13.987 9.005 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -21.108 -12.542 8.104 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -17.548 -13.474 6.138 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -18.138 -14.942 6.952 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -19.296 -13.798 6.233 1.00 0.00 H new ATOM 893 N PHE A 57 -19.902 -14.643 11.878 1.00 0.00 N ATOM 894 CA PHE A 57 -20.649 -15.409 12.869 1.00 0.00 C ATOM 895 C PHE A 57 -20.536 -14.770 14.250 1.00 0.00 C ATOM 896 O PHE A 57 -21.166 -15.218 15.208 1.00 0.00 O ATOM 897 CB PHE A 57 -20.140 -16.851 12.919 1.00 0.00 C ATOM 898 CG PHE A 57 -19.895 -17.448 11.563 1.00 0.00 C ATOM 899 CD1 PHE A 57 -20.863 -17.376 10.575 1.00 0.00 C ATOM 900 CD2 PHE A 57 -18.696 -18.081 11.276 1.00 0.00 C ATOM 901 CE1 PHE A 57 -20.640 -17.924 9.325 1.00 0.00 C ATOM 902 CE2 PHE A 57 -18.467 -18.630 10.029 1.00 0.00 C ATOM 903 CZ PHE A 57 -19.441 -18.552 9.052 1.00 0.00 C ATOM 0 H PHE A 57 -18.987 -15.030 11.648 1.00 0.00 H new ATOM 0 HA PHE A 57 -21.698 -15.411 12.574 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -19.214 -16.881 13.493 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -20.866 -17.466 13.452 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -21.803 -16.886 10.783 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -17.932 -18.146 12.036 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -21.403 -17.861 8.563 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -17.528 -19.120 9.818 1.00 0.00 H new ATOM 0 HZ PHE A 57 -19.265 -18.981 8.077 1.00 0.00 H new ATOM 913 N HIS A 58 -19.726 -13.719 14.344 1.00 0.00 N ATOM 914 CA HIS A 58 -19.529 -13.017 15.608 1.00 0.00 C ATOM 915 C HIS A 58 -20.859 -12.517 16.164 1.00 0.00 C ATOM 916 O HIS A 58 -21.074 -12.515 17.376 1.00 0.00 O ATOM 917 CB HIS A 58 -18.568 -11.843 15.418 1.00 0.00 C ATOM 918 CG HIS A 58 -18.069 -11.264 16.706 1.00 0.00 C ATOM 919 ND1 HIS A 58 -18.857 -10.503 17.544 1.00 0.00 N ATOM 920 CD2 HIS A 58 -16.855 -11.339 17.299 1.00 0.00 C ATOM 921 CE1 HIS A 58 -18.148 -10.133 18.596 1.00 0.00 C ATOM 922 NE2 HIS A 58 -16.930 -10.629 18.472 1.00 0.00 N ATOM 0 H HIS A 58 -19.196 -13.335 13.561 1.00 0.00 H new ATOM 0 HA HIS A 58 -19.097 -13.718 16.322 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -17.716 -12.174 14.824 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -19.070 -11.061 14.848 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -15.988 -11.860 16.920 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -18.504 -9.528 19.417 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -16.169 -10.505 19.139 1.00 0.00 H new ATOM 930 N ASP A 59 -21.746 -12.093 15.271 1.00 0.00 N ATOM 931 CA ASP A 59 -23.055 -11.590 15.673 1.00 0.00 C ATOM 932 C ASP A 59 -24.068 -12.727 15.766 1.00 0.00 C ATOM 933 O ASP A 59 -25.264 -12.493 15.946 1.00 0.00 O ATOM 934 CB ASP A 59 -23.545 -10.533 14.683 1.00 0.00 C ATOM 935 CG ASP A 59 -22.404 -9.773 14.035 1.00 0.00 C ATOM 936 OD1 ASP A 59 -21.886 -8.828 14.667 1.00 0.00 O ATOM 937 OD2 ASP A 59 -22.028 -10.124 12.898 1.00 0.00 O ATOM 0 H ASP A 59 -21.583 -12.087 14.264 1.00 0.00 H new ATOM 0 HA ASP A 59 -22.955 -11.134 16.658 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -24.143 -11.014 13.909 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -24.198 -9.830 15.200 1.00 0.00 H new ATOM 942 N HIS A 60 -23.583 -13.958 15.641 1.00 0.00 N ATOM 943 CA HIS A 60 -24.447 -15.131 15.710 1.00 0.00 C ATOM 944 C HIS A 60 -25.818 -14.832 15.112 1.00 0.00 C ATOM 945 O HIS A 60 -26.849 -15.145 15.709 1.00 0.00 O ATOM 946 CB HIS A 60 -24.599 -15.593 17.159 1.00 0.00 C ATOM 947 CG HIS A 60 -24.899 -14.479 18.115 1.00 0.00 C ATOM 948 ND1 HIS A 60 -26.027 -13.755 18.305 1.00 0.00 N flip ATOM 949 CD2 HIS A 60 -23.976 -13.993 19.017 1.00 0.00 C flip ATOM 950 CE1 HIS A 60 -25.768 -12.854 19.308 1.00 0.00 C flip ATOM 951 NE2 HIS A 60 -24.524 -13.018 19.721 1.00 0.00 N flip ATOM 0 H HIS A 60 -22.596 -14.169 15.491 1.00 0.00 H new ATOM 0 HA HIS A 60 -23.983 -15.928 15.129 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -25.398 -16.333 17.214 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -23.681 -16.091 17.471 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -22.964 -14.353 19.130 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -26.468 -12.129 19.696 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -24.065 -12.483 20.458 1.00 0.00 H new ATOM 959 N HIS A 61 -25.823 -14.224 13.930 1.00 0.00 N ATOM 960 CA HIS A 61 -27.068 -13.882 13.251 1.00 0.00 C ATOM 961 C HIS A 61 -27.051 -14.372 11.806 1.00 0.00 C ATOM 962 O HIS A 61 -28.002 -14.157 11.055 1.00 0.00 O ATOM 963 CB HIS A 61 -27.295 -12.371 13.287 1.00 0.00 C ATOM 964 CG HIS A 61 -28.292 -11.939 14.318 1.00 0.00 C ATOM 965 ND1 HIS A 61 -29.452 -11.262 14.005 1.00 0.00 N ATOM 966 CD2 HIS A 61 -28.299 -12.094 15.662 1.00 0.00 C ATOM 967 CE1 HIS A 61 -30.128 -11.017 15.114 1.00 0.00 C ATOM 968 NE2 HIS A 61 -29.450 -11.512 16.133 1.00 0.00 N ATOM 0 H HIS A 61 -24.979 -13.958 13.423 1.00 0.00 H new ATOM 0 HA HIS A 61 -27.886 -14.377 13.774 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -26.345 -11.874 13.482 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -27.633 -12.039 12.305 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -27.540 -12.584 16.254 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -31.074 -10.500 15.176 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -29.735 -11.469 17.111 1.00 0.00 H new ATOM 976 N VAL A 62 -25.962 -15.031 11.422 1.00 0.00 N ATOM 977 CA VAL A 62 -25.821 -15.551 10.068 1.00 0.00 C ATOM 978 C VAL A 62 -25.254 -16.967 10.079 1.00 0.00 C ATOM 979 O VAL A 62 -24.290 -17.257 10.788 1.00 0.00 O ATOM 980 CB VAL A 62 -24.908 -14.652 9.213 1.00 0.00 C ATOM 981 CG1 VAL A 62 -23.544 -14.499 9.868 1.00 0.00 C ATOM 982 CG2 VAL A 62 -24.773 -15.214 7.806 1.00 0.00 C ATOM 0 H VAL A 62 -25.165 -15.217 12.030 1.00 0.00 H new ATOM 0 HA VAL A 62 -26.819 -15.565 9.630 1.00 0.00 H new ATOM 0 HB VAL A 62 -25.363 -13.664 9.143 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -22.913 -13.861 9.250 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -23.662 -14.048 10.853 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -23.078 -15.479 9.971 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -24.125 -14.566 7.216 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -24.341 -16.214 7.853 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -25.756 -15.265 7.339 1.00 0.00 H new ATOM 992 N THR A 63 -25.859 -17.847 9.287 1.00 0.00 N ATOM 993 CA THR A 63 -25.416 -19.233 9.205 1.00 0.00 C ATOM 994 C THR A 63 -24.547 -19.461 7.974 1.00 0.00 C ATOM 995 O THR A 63 -24.492 -18.620 7.076 1.00 0.00 O ATOM 996 CB THR A 63 -26.611 -20.203 9.163 1.00 0.00 C ATOM 997 OG1 THR A 63 -26.143 -21.556 9.147 1.00 0.00 O ATOM 998 CG2 THR A 63 -27.475 -19.945 7.937 1.00 0.00 C ATOM 0 H THR A 63 -26.658 -17.624 8.693 1.00 0.00 H new ATOM 0 HA THR A 63 -24.829 -19.430 10.102 1.00 0.00 H new ATOM 0 HB THR A 63 -27.216 -20.039 10.055 1.00 0.00 H new ATOM 0 HG1 THR A 63 -26.909 -22.167 9.122 1.00 0.00 H new ATOM 0 HG21 THR A 63 -28.313 -20.642 7.929 1.00 0.00 H new ATOM 0 HG22 THR A 63 -27.854 -18.923 7.967 1.00 0.00 H new ATOM 0 HG23 THR A 63 -26.878 -20.084 7.036 1.00 0.00 H new ATOM 1006 N VAL A 64 -23.869 -20.603 7.937 1.00 0.00 N ATOM 1007 CA VAL A 64 -23.003 -20.943 6.814 1.00 0.00 C ATOM 1008 C VAL A 64 -23.769 -20.897 5.496 1.00 0.00 C ATOM 1009 O VAL A 64 -23.248 -20.440 4.480 1.00 0.00 O ATOM 1010 CB VAL A 64 -22.383 -22.342 6.986 1.00 0.00 C ATOM 1011 CG1 VAL A 64 -21.519 -22.695 5.785 1.00 0.00 C ATOM 1012 CG2 VAL A 64 -21.575 -22.411 8.273 1.00 0.00 C ATOM 0 H VAL A 64 -23.902 -21.309 8.672 1.00 0.00 H new ATOM 0 HA VAL A 64 -22.205 -20.201 6.794 1.00 0.00 H new ATOM 0 HB VAL A 64 -23.189 -23.073 7.050 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -21.089 -23.687 5.925 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -22.130 -22.688 4.882 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -20.717 -21.963 5.686 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -21.144 -23.406 8.379 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -20.776 -21.671 8.241 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -22.226 -22.205 9.123 1.00 0.00 H new ATOM 1022 N GLU A 65 -25.010 -21.374 5.522 1.00 0.00 N ATOM 1023 CA GLU A 65 -25.848 -21.388 4.329 1.00 0.00 C ATOM 1024 C GLU A 65 -26.148 -19.968 3.859 1.00 0.00 C ATOM 1025 O GLU A 65 -26.190 -19.697 2.659 1.00 0.00 O ATOM 1026 CB GLU A 65 -27.155 -22.132 4.605 1.00 0.00 C ATOM 1027 CG GLU A 65 -26.954 -23.517 5.198 1.00 0.00 C ATOM 1028 CD GLU A 65 -28.233 -24.099 5.768 1.00 0.00 C ATOM 1029 OE1 GLU A 65 -29.165 -24.367 4.980 1.00 0.00 O ATOM 1030 OE2 GLU A 65 -28.303 -24.287 7.000 1.00 0.00 O ATOM 0 H GLU A 65 -25.457 -21.756 6.356 1.00 0.00 H new ATOM 0 HA GLU A 65 -25.303 -21.907 3.540 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -27.764 -21.539 5.287 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -27.715 -22.222 3.674 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -26.567 -24.185 4.429 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -26.201 -23.466 5.984 1.00 0.00 H new ATOM 1037 N GLN A 66 -26.355 -19.066 4.813 1.00 0.00 N ATOM 1038 CA GLN A 66 -26.653 -17.674 4.497 1.00 0.00 C ATOM 1039 C GLN A 66 -25.481 -17.018 3.774 1.00 0.00 C ATOM 1040 O GLN A 66 -25.672 -16.165 2.906 1.00 0.00 O ATOM 1041 CB GLN A 66 -26.980 -16.898 5.773 1.00 0.00 C ATOM 1042 CG GLN A 66 -28.463 -16.872 6.106 1.00 0.00 C ATOM 1043 CD GLN A 66 -29.188 -15.710 5.455 1.00 0.00 C ATOM 1044 OE1 GLN A 66 -30.190 -15.897 4.765 1.00 0.00 O ATOM 1045 NE2 GLN A 66 -28.683 -14.501 5.672 1.00 0.00 N ATOM 0 H GLN A 66 -26.322 -19.274 5.811 1.00 0.00 H new ATOM 0 HA GLN A 66 -27.520 -17.655 3.837 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -26.437 -17.341 6.607 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -26.622 -15.874 5.667 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -28.920 -17.807 5.783 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -28.588 -16.813 7.187 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -27.850 -14.393 6.251 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -29.128 -13.681 5.260 1.00 0.00 H new ATOM 1054 N LEU A 67 -24.268 -17.420 4.138 1.00 0.00 N ATOM 1055 CA LEU A 67 -23.064 -16.870 3.525 1.00 0.00 C ATOM 1056 C LEU A 67 -22.997 -17.225 2.043 1.00 0.00 C ATOM 1057 O LEU A 67 -22.730 -16.368 1.201 1.00 0.00 O ATOM 1058 CB LEU A 67 -21.819 -17.392 4.243 1.00 0.00 C ATOM 1059 CG LEU A 67 -21.574 -16.842 5.648 1.00 0.00 C ATOM 1060 CD1 LEU A 67 -20.265 -17.376 6.210 1.00 0.00 C ATOM 1061 CD2 LEU A 67 -21.569 -15.321 5.633 1.00 0.00 C ATOM 0 H LEU A 67 -24.092 -18.125 4.854 1.00 0.00 H new ATOM 0 HA LEU A 67 -23.101 -15.785 3.618 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -21.890 -18.478 4.307 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -20.948 -17.165 3.629 1.00 0.00 H new ATOM 0 HG LEU A 67 -22.386 -17.176 6.294 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -20.108 -16.974 7.211 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -20.307 -18.464 6.259 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -19.441 -17.073 5.564 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -21.393 -14.948 6.642 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -20.778 -14.966 4.972 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -22.532 -14.958 5.274 1.00 0.00 H new ATOM 1073 N MET A 68 -23.244 -18.493 1.732 1.00 0.00 N ATOM 1074 CA MET A 68 -23.215 -18.960 0.351 1.00 0.00 C ATOM 1075 C MET A 68 -24.437 -18.466 -0.416 1.00 0.00 C ATOM 1076 O MET A 68 -24.357 -18.170 -1.609 1.00 0.00 O ATOM 1077 CB MET A 68 -23.155 -20.489 0.308 1.00 0.00 C ATOM 1078 CG MET A 68 -24.319 -21.162 1.016 1.00 0.00 C ATOM 1079 SD MET A 68 -24.307 -22.955 0.823 1.00 0.00 S ATOM 1080 CE MET A 68 -22.627 -23.336 1.313 1.00 0.00 C ATOM 0 H MET A 68 -23.466 -19.215 2.417 1.00 0.00 H new ATOM 0 HA MET A 68 -22.322 -18.555 -0.124 1.00 0.00 H new ATOM 0 HB2 MET A 68 -23.135 -20.815 -0.732 1.00 0.00 H new ATOM 0 HB3 MET A 68 -22.222 -20.821 0.764 1.00 0.00 H new ATOM 0 HG2 MET A 68 -24.286 -20.915 2.077 1.00 0.00 H new ATOM 0 HG3 MET A 68 -25.256 -20.765 0.625 1.00 0.00 H new ATOM 0 HE1 MET A 68 -22.529 -24.410 1.470 1.00 0.00 H new ATOM 0 HE2 MET A 68 -21.939 -23.019 0.529 1.00 0.00 H new ATOM 0 HE3 MET A 68 -22.390 -22.811 2.238 1.00 0.00 H new ATOM 1254 N ASP A 81 -16.244 -26.367 0.704 1.00 0.00 N ATOM 1255 CA ASP A 81 -15.270 -25.368 1.128 1.00 0.00 C ATOM 1256 C ASP A 81 -15.645 -23.986 0.601 1.00 0.00 C ATOM 1257 O ASP A 81 -16.178 -23.854 -0.502 1.00 0.00 O ATOM 1258 CB ASP A 81 -13.871 -25.750 0.642 1.00 0.00 C ATOM 1259 CG ASP A 81 -12.844 -24.673 0.930 1.00 0.00 C ATOM 1260 OD1 ASP A 81 -12.438 -24.540 2.103 1.00 0.00 O ATOM 1261 OD2 ASP A 81 -12.447 -23.962 -0.018 1.00 0.00 O ATOM 0 HA ASP A 81 -15.271 -25.335 2.217 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -13.564 -26.679 1.123 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -13.902 -25.941 -0.431 1.00 0.00 H new ATOM 1266 N LEU A 82 -15.366 -22.960 1.396 1.00 0.00 N ATOM 1267 CA LEU A 82 -15.674 -21.587 1.011 1.00 0.00 C ATOM 1268 C LEU A 82 -14.712 -20.606 1.673 1.00 0.00 C ATOM 1269 O LEU A 82 -14.209 -20.859 2.767 1.00 0.00 O ATOM 1270 CB LEU A 82 -17.115 -21.241 1.392 1.00 0.00 C ATOM 1271 CG LEU A 82 -18.158 -21.399 0.285 1.00 0.00 C ATOM 1272 CD1 LEU A 82 -19.560 -21.436 0.874 1.00 0.00 C ATOM 1273 CD2 LEU A 82 -18.034 -20.271 -0.729 1.00 0.00 C ATOM 0 H LEU A 82 -14.927 -23.052 2.312 1.00 0.00 H new ATOM 0 HA LEU A 82 -15.560 -21.505 -0.070 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -17.408 -21.870 2.233 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -17.139 -20.209 1.742 1.00 0.00 H new ATOM 0 HG LEU A 82 -17.976 -22.344 -0.227 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -20.289 -21.549 0.071 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -19.644 -22.278 1.561 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -19.753 -20.508 1.412 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -18.784 -20.399 -1.510 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -18.190 -19.314 -0.230 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -17.039 -20.290 -1.175 1.00 0.00 H new ATOM 1285 N GLU A 83 -14.464 -19.485 1.003 1.00 0.00 N ATOM 1286 CA GLU A 83 -13.563 -18.466 1.528 1.00 0.00 C ATOM 1287 C GLU A 83 -14.092 -17.066 1.229 1.00 0.00 C ATOM 1288 O GLU A 83 -14.593 -16.800 0.136 1.00 0.00 O ATOM 1289 CB GLU A 83 -12.164 -18.633 0.930 1.00 0.00 C ATOM 1290 CG GLU A 83 -12.166 -18.831 -0.577 1.00 0.00 C ATOM 1291 CD GLU A 83 -10.780 -19.096 -1.132 1.00 0.00 C ATOM 1292 OE1 GLU A 83 -10.174 -20.119 -0.748 1.00 0.00 O ATOM 1293 OE2 GLU A 83 -10.301 -18.282 -1.949 1.00 0.00 O ATOM 0 H GLU A 83 -14.874 -19.260 0.097 1.00 0.00 H new ATOM 0 HA GLU A 83 -13.505 -18.591 2.609 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -11.567 -17.753 1.172 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -11.677 -19.488 1.400 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -12.820 -19.666 -0.829 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -12.582 -17.944 -1.056 1.00 0.00 H new ATOM 1300 N PHE A 84 -13.976 -16.175 2.208 1.00 0.00 N ATOM 1301 CA PHE A 84 -14.444 -14.802 2.051 1.00 0.00 C ATOM 1302 C PHE A 84 -13.357 -13.809 2.450 1.00 0.00 C ATOM 1303 O PHE A 84 -12.780 -13.906 3.532 1.00 0.00 O ATOM 1304 CB PHE A 84 -15.698 -14.569 2.895 1.00 0.00 C ATOM 1305 CG PHE A 84 -16.822 -15.511 2.572 1.00 0.00 C ATOM 1306 CD1 PHE A 84 -16.895 -16.757 3.175 1.00 0.00 C ATOM 1307 CD2 PHE A 84 -17.806 -15.151 1.666 1.00 0.00 C ATOM 1308 CE1 PHE A 84 -17.927 -17.626 2.878 1.00 0.00 C ATOM 1309 CE2 PHE A 84 -18.842 -16.016 1.366 1.00 0.00 C ATOM 1310 CZ PHE A 84 -18.903 -17.255 1.974 1.00 0.00 C ATOM 0 H PHE A 84 -13.562 -16.378 3.118 1.00 0.00 H new ATOM 0 HA PHE A 84 -14.688 -14.645 1.000 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -15.441 -14.671 3.949 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -16.040 -13.544 2.748 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -16.136 -17.052 3.885 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -17.763 -14.183 1.188 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -17.971 -18.595 3.353 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -19.603 -15.723 0.657 1.00 0.00 H new ATOM 0 HZ PHE A 84 -19.712 -17.932 1.743 1.00 0.00 H new ATOM 1320 N GLU A 85 -13.083 -12.854 1.566 1.00 0.00 N ATOM 1321 CA GLU A 85 -12.064 -11.843 1.826 1.00 0.00 C ATOM 1322 C GLU A 85 -12.704 -10.514 2.216 1.00 0.00 C ATOM 1323 O GLU A 85 -12.079 -9.682 2.874 1.00 0.00 O ATOM 1324 CB GLU A 85 -11.178 -11.652 0.593 1.00 0.00 C ATOM 1325 CG GLU A 85 -10.756 -12.957 -0.061 1.00 0.00 C ATOM 1326 CD GLU A 85 -11.725 -13.412 -1.135 1.00 0.00 C ATOM 1327 OE1 GLU A 85 -11.778 -12.761 -2.200 1.00 0.00 O ATOM 1328 OE2 GLU A 85 -12.431 -14.418 -0.911 1.00 0.00 O ATOM 0 H GLU A 85 -13.552 -12.759 0.665 1.00 0.00 H new ATOM 0 HA GLU A 85 -11.449 -12.188 2.657 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -11.713 -11.045 -0.138 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -10.287 -11.094 0.879 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -9.765 -12.836 -0.499 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -10.675 -13.732 0.702 1.00 0.00 H new ATOM 1335 N ASP A 86 -13.952 -10.321 1.805 1.00 0.00 N ATOM 1336 CA ASP A 86 -14.678 -9.094 2.112 1.00 0.00 C ATOM 1337 C ASP A 86 -16.183 -9.307 1.988 1.00 0.00 C ATOM 1338 O ASP A 86 -16.720 -9.382 0.883 1.00 0.00 O ATOM 1339 CB ASP A 86 -14.231 -7.966 1.180 1.00 0.00 C ATOM 1340 CG ASP A 86 -14.500 -6.593 1.763 1.00 0.00 C ATOM 1341 OD1 ASP A 86 -15.003 -6.520 2.905 1.00 0.00 O ATOM 1342 OD2 ASP A 86 -14.207 -5.591 1.079 1.00 0.00 O ATOM 0 H ASP A 86 -14.483 -10.999 1.258 1.00 0.00 H new ATOM 0 HA ASP A 86 -14.453 -8.815 3.142 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -13.165 -8.068 0.976 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -14.749 -8.060 0.226 1.00 0.00 H new ATOM 1347 N ILE A 87 -16.857 -9.405 3.129 1.00 0.00 N ATOM 1348 CA ILE A 87 -18.300 -9.610 3.148 1.00 0.00 C ATOM 1349 C ILE A 87 -19.011 -8.599 2.255 1.00 0.00 C ATOM 1350 O ILE A 87 -18.528 -7.489 2.025 1.00 0.00 O ATOM 1351 CB ILE A 87 -18.866 -9.503 4.577 1.00 0.00 C ATOM 1352 CG1 ILE A 87 -18.597 -8.110 5.151 1.00 0.00 C ATOM 1353 CG2 ILE A 87 -18.259 -10.575 5.468 1.00 0.00 C ATOM 1354 CD1 ILE A 87 -17.449 -8.073 6.135 1.00 0.00 C ATOM 0 H ILE A 87 -16.427 -9.346 4.052 1.00 0.00 H new ATOM 0 HA ILE A 87 -18.480 -10.616 2.769 1.00 0.00 H new ATOM 0 HB ILE A 87 -19.944 -9.658 4.539 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -18.385 -7.423 4.332 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -19.499 -7.749 5.644 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -18.669 -10.487 6.474 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -18.496 -11.560 5.065 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -17.177 -10.448 5.504 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -17.316 -7.055 6.501 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -17.667 -8.734 6.974 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -16.535 -8.403 5.641 1.00 0.00 H new ATOM 1366 N PRO A 88 -20.186 -8.988 1.739 1.00 0.00 N ATOM 1367 CA PRO A 88 -20.990 -8.129 0.864 1.00 0.00 C ATOM 1368 C PRO A 88 -21.598 -6.947 1.612 1.00 0.00 C ATOM 1369 O PRO A 88 -21.257 -6.689 2.766 1.00 0.00 O ATOM 1370 CB PRO A 88 -22.090 -9.066 0.360 1.00 0.00 C ATOM 1371 CG PRO A 88 -22.206 -10.115 1.412 1.00 0.00 C ATOM 1372 CD PRO A 88 -20.821 -10.296 1.970 1.00 0.00 C ATOM 0 HA PRO A 88 -20.392 -7.685 0.068 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -23.032 -8.534 0.226 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -21.829 -9.500 -0.605 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -22.904 -9.810 2.192 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -22.583 -11.048 0.993 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -20.845 -10.549 3.030 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -20.285 -11.098 1.462 1.00 0.00 H new ATOM 1380 N ASP A 89 -22.500 -6.234 0.947 1.00 0.00 N ATOM 1381 CA ASP A 89 -23.157 -5.080 1.550 1.00 0.00 C ATOM 1382 C ASP A 89 -24.554 -5.445 2.042 1.00 0.00 C ATOM 1383 O ASP A 89 -25.086 -4.815 2.955 1.00 0.00 O ATOM 1384 CB ASP A 89 -23.242 -3.931 0.544 1.00 0.00 C ATOM 1385 CG ASP A 89 -21.921 -3.203 0.384 1.00 0.00 C ATOM 1386 OD1 ASP A 89 -20.869 -3.816 0.660 1.00 0.00 O ATOM 1387 OD2 ASP A 89 -21.941 -2.020 -0.017 1.00 0.00 O ATOM 0 H ASP A 89 -22.793 -6.434 -0.009 1.00 0.00 H new ATOM 0 HA ASP A 89 -22.562 -4.761 2.406 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -23.558 -4.321 -0.423 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -24.006 -3.224 0.868 1.00 0.00 H new ATOM 1392 N SER A 90 -25.143 -6.467 1.429 1.00 0.00 N ATOM 1393 CA SER A 90 -26.480 -6.914 1.801 1.00 0.00 C ATOM 1394 C SER A 90 -26.474 -7.552 3.187 1.00 0.00 C ATOM 1395 O SER A 90 -27.451 -7.460 3.931 1.00 0.00 O ATOM 1396 CB SER A 90 -27.013 -7.911 0.771 1.00 0.00 C ATOM 1397 OG SER A 90 -28.428 -7.868 0.704 1.00 0.00 O ATOM 0 H SER A 90 -24.715 -7.001 0.673 1.00 0.00 H new ATOM 0 HA SER A 90 -27.134 -6.042 1.824 1.00 0.00 H new ATOM 0 HB2 SER A 90 -26.592 -7.686 -0.209 1.00 0.00 H new ATOM 0 HB3 SER A 90 -26.689 -8.918 1.033 1.00 0.00 H new ATOM 0 HG SER A 90 -28.744 -8.513 0.037 1.00 0.00 H new ATOM 1403 N LEU A 91 -25.365 -8.199 3.528 1.00 0.00 N ATOM 1404 CA LEU A 91 -25.229 -8.854 4.825 1.00 0.00 C ATOM 1405 C LEU A 91 -24.921 -7.836 5.919 1.00 0.00 C ATOM 1406 O LEU A 91 -25.657 -7.721 6.899 1.00 0.00 O ATOM 1407 CB LEU A 91 -24.125 -9.911 4.771 1.00 0.00 C ATOM 1408 CG LEU A 91 -24.383 -11.105 3.851 1.00 0.00 C ATOM 1409 CD1 LEU A 91 -23.164 -12.013 3.801 1.00 0.00 C ATOM 1410 CD2 LEU A 91 -25.609 -11.879 4.312 1.00 0.00 C ATOM 0 H LEU A 91 -24.547 -8.284 2.925 1.00 0.00 H new ATOM 0 HA LEU A 91 -26.176 -9.339 5.061 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -23.201 -9.427 4.454 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -23.958 -10.285 5.781 1.00 0.00 H new ATOM 0 HG LEU A 91 -24.573 -10.730 2.845 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -23.366 -12.857 3.142 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -22.309 -11.453 3.422 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -22.943 -12.380 4.803 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -25.777 -12.725 3.645 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -25.449 -12.243 5.327 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -26.480 -11.224 4.294 1.00 0.00 H new