USER MOD reduce.3.24.130724 H: found=0, std=0, add=789, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 790 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 89 THR OG1 : rot -59:sc= 0.502 USER MOD Set 1.2: A 102 ASN :FLIP amide:sc= 0.464 F(o=0.045,f=0.97) USER MOD Set 2.1: A 91 SER OG : rot 180:sc= 0.623 USER MOD Set 2.2: A 100 THR OG1 : rot -114:sc= 0.64 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl 165:sc= 0 (180deg=-0.308) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= -0.868 K(o=-0.87,f=-4.7!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 169:sc=-0.00129 (180deg=-0.137) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 CYS SG : rot 149:sc= 0.00786 USER MOD Single : A 38 GLN : amide:sc= -0.921 K(o=-0.92,f=-1.5) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN :FLIP amide:sc= 0.0938 F(o=-2.3,f=0.094) USER MOD Single : A 53 ASN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 55 MET CE :methyl -149:sc= -1.64 (180deg=-3.31!) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 ASN : amide:sc= -0.565 K(o=-0.56,f=-3.7!) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.127 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -1.59! C(o=-1.6!,f=-3!) USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 70 THR OG1 : rot -37:sc= 0.768 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -176:sc= 1.05 (180deg=0.977) USER MOD Single : A 81 ASN :FLIP amide:sc= -0.649 F(o=-4.2!,f=-0.65) USER MOD Single : A 82 LYS NZ :NH3+ 155:sc= -0.121 (180deg=-0.523) USER MOD Single : A 83 LYS NZ :NH3+ 143:sc= -1.87! (180deg=-3.63!) USER MOD Single : A 88 TYR OH : rot -15:sc= 1.03 USER MOD Single : A 94 ASN : amide:sc= -2.78 K(o=-2.8,f=-8.2!) USER MOD Single : A 99 THR OG1 : rot -91:sc= 0.162 USER MOD Single : A 101 CYS SG : rot 180:sc= -0.576 USER MOD Single : A 103 THR OG1 : rot 170:sc= -1.21 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 197 N LYS A 13 17.024 -16.013 6.374 1.00 44.30 N ATOM 198 CA LYS A 13 16.266 -15.571 5.196 1.00 13.02 C ATOM 199 C LYS A 13 14.828 -16.116 5.242 1.00 22.41 C ATOM 200 O LYS A 13 14.617 -17.328 5.348 1.00 5.00 O ATOM 201 CB LYS A 13 16.958 -16.020 3.900 1.00 24.05 C ATOM 202 CG LYS A 13 18.327 -15.381 3.675 1.00 1.11 C ATOM 203 CD LYS A 13 18.910 -15.746 2.311 1.00 13.12 C ATOM 204 CE LYS A 13 18.003 -15.293 1.169 1.00 25.00 C ATOM 205 NZ LYS A 13 18.594 -15.581 -0.164 1.00 13.44 N ATOM 0 HA LYS A 13 16.229 -14.482 5.209 1.00 13.02 H new ATOM 0 HB2 LYS A 13 17.073 -17.104 3.918 1.00 24.05 H new ATOM 0 HB3 LYS A 13 16.313 -15.781 3.054 1.00 24.05 H new ATOM 0 HG2 LYS A 13 18.239 -14.297 3.754 1.00 1.11 H new ATOM 0 HG3 LYS A 13 19.011 -15.703 4.460 1.00 1.11 H new ATOM 0 HD2 LYS A 13 19.892 -15.286 2.200 1.00 13.12 H new ATOM 0 HD3 LYS A 13 19.055 -16.825 2.254 1.00 13.12 H new ATOM 0 HE2 LYS A 13 17.038 -15.793 1.253 1.00 25.00 H new ATOM 0 HE3 LYS A 13 17.816 -14.223 1.258 1.00 25.00 H new ATOM 0 HZ1 LYS A 13 17.945 -15.257 -0.909 1.00 13.44 H new ATOM 0 HZ2 LYS A 13 19.502 -15.083 -0.256 1.00 13.44 H new ATOM 0 HZ3 LYS A 13 18.749 -16.605 -0.261 1.00 13.44 H new ATOM 219 N ARG A 14 13.846 -15.221 5.166 1.00 21.21 N ATOM 220 CA ARG A 14 12.428 -15.604 5.213 1.00 12.21 C ATOM 221 C ARG A 14 11.605 -14.840 4.164 1.00 73.42 C ATOM 222 O ARG A 14 11.510 -13.611 4.211 1.00 33.31 O ATOM 223 CB ARG A 14 11.868 -15.351 6.623 1.00 55.51 C ATOM 224 CG ARG A 14 10.356 -15.539 6.766 1.00 25.14 C ATOM 225 CD ARG A 14 9.901 -16.957 6.424 1.00 43.01 C ATOM 226 NE ARG A 14 8.486 -17.152 6.739 1.00 62.14 N ATOM 227 CZ ARG A 14 7.609 -17.692 5.935 1.00 54.53 C ATOM 228 NH1 ARG A 14 7.955 -18.122 4.764 1.00 24.43 N ATOM 229 NH2 ARG A 14 6.377 -17.810 6.318 1.00 34.32 N ATOM 0 H ARG A 14 14.003 -14.218 5.071 1.00 21.21 H new ATOM 0 HA ARG A 14 12.353 -16.666 4.980 1.00 12.21 H new ATOM 0 HB2 ARG A 14 12.369 -16.021 7.321 1.00 55.51 H new ATOM 0 HB3 ARG A 14 12.121 -14.333 6.920 1.00 55.51 H new ATOM 0 HG2 ARG A 14 10.060 -15.304 7.788 1.00 25.14 H new ATOM 0 HG3 ARG A 14 9.843 -14.831 6.115 1.00 25.14 H new ATOM 0 HD2 ARG A 14 10.070 -17.150 5.365 1.00 43.01 H new ATOM 0 HD3 ARG A 14 10.502 -17.678 6.979 1.00 43.01 H new ATOM 0 HE ARG A 14 8.160 -16.843 7.655 1.00 62.14 H new ATOM 0 HH11 ARG A 14 8.924 -18.042 4.457 1.00 24.43 H new ATOM 0 HH12 ARG A 14 7.258 -18.541 4.148 1.00 24.43 H new ATOM 0 HH21 ARG A 14 6.097 -17.482 7.242 1.00 34.32 H new ATOM 0 HH22 ARG A 14 5.687 -18.231 5.695 1.00 34.32 H new ATOM 243 N ALA A 15 11.024 -15.579 3.218 1.00 51.20 N ATOM 244 CA ALA A 15 10.159 -14.994 2.188 1.00 33.33 C ATOM 245 C ALA A 15 8.910 -14.331 2.801 1.00 44.13 C ATOM 246 O ALA A 15 8.323 -14.858 3.747 1.00 54.11 O ATOM 247 CB ALA A 15 9.752 -16.066 1.180 1.00 24.32 C ATOM 0 H ALA A 15 11.137 -16.590 3.142 1.00 51.20 H new ATOM 0 HA ALA A 15 10.725 -14.215 1.677 1.00 33.33 H new ATOM 0 HB1 ALA A 15 9.110 -15.624 0.418 1.00 24.32 H new ATOM 0 HB2 ALA A 15 10.644 -16.479 0.708 1.00 24.32 H new ATOM 0 HB3 ALA A 15 9.212 -16.862 1.693 1.00 24.32 H new ATOM 253 N PRO A 16 8.484 -13.171 2.258 1.00 63.31 N ATOM 254 CA PRO A 16 7.345 -12.405 2.801 1.00 43.54 C ATOM 255 C PRO A 16 6.001 -13.151 2.712 1.00 11.44 C ATOM 256 O PRO A 16 5.749 -13.910 1.773 1.00 40.13 O ATOM 257 CB PRO A 16 7.319 -11.138 1.929 1.00 11.42 C ATOM 258 CG PRO A 16 8.017 -11.527 0.669 1.00 33.23 C ATOM 259 CD PRO A 16 9.076 -12.510 1.080 1.00 4.34 C ATOM 0 HA PRO A 16 7.472 -12.212 3.866 1.00 43.54 H new ATOM 0 HB2 PRO A 16 6.297 -10.815 1.731 1.00 11.42 H new ATOM 0 HB3 PRO A 16 7.826 -10.308 2.422 1.00 11.42 H new ATOM 0 HG2 PRO A 16 7.322 -11.974 -0.042 1.00 33.23 H new ATOM 0 HG3 PRO A 16 8.457 -10.658 0.181 1.00 33.23 H new ATOM 0 HD2 PRO A 16 9.293 -13.223 0.285 1.00 4.34 H new ATOM 0 HD3 PRO A 16 10.014 -12.012 1.327 1.00 4.34 H new ATOM 267 N MET A 17 5.141 -12.918 3.700 1.00 52.12 N ATOM 268 CA MET A 17 3.808 -13.530 3.744 1.00 20.42 C ATOM 269 C MET A 17 2.747 -12.527 4.222 1.00 34.32 C ATOM 270 O MET A 17 2.889 -11.925 5.289 1.00 63.33 O ATOM 271 CB MET A 17 3.828 -14.760 4.669 1.00 44.52 C ATOM 272 CG MET A 17 2.446 -15.309 5.007 1.00 13.45 C ATOM 273 SD MET A 17 1.452 -15.653 3.544 1.00 61.15 S ATOM 274 CE MET A 17 -0.084 -16.184 4.304 1.00 75.54 C ATOM 0 H MET A 17 5.343 -12.305 4.490 1.00 52.12 H new ATOM 0 HA MET A 17 3.544 -13.840 2.733 1.00 20.42 H new ATOM 0 HB2 MET A 17 4.414 -15.548 4.195 1.00 44.52 H new ATOM 0 HB3 MET A 17 4.339 -14.496 5.595 1.00 44.52 H new ATOM 0 HG2 MET A 17 2.556 -16.224 5.589 1.00 13.45 H new ATOM 0 HG3 MET A 17 1.920 -14.592 5.637 1.00 13.45 H new ATOM 0 HE1 MET A 17 -0.880 -16.178 3.559 1.00 75.54 H new ATOM 0 HE2 MET A 17 0.035 -17.193 4.699 1.00 75.54 H new ATOM 0 HE3 MET A 17 -0.342 -15.504 5.116 1.00 75.54 H new ATOM 284 N PHE A 18 1.690 -12.344 3.423 1.00 42.42 N ATOM 285 CA PHE A 18 0.563 -11.492 3.820 1.00 73.24 C ATOM 286 C PHE A 18 -0.306 -12.193 4.875 1.00 41.44 C ATOM 287 O PHE A 18 -1.075 -13.100 4.559 1.00 40.22 O ATOM 288 CB PHE A 18 -0.310 -11.124 2.606 1.00 64.12 C ATOM 289 CG PHE A 18 0.316 -10.125 1.659 1.00 74.14 C ATOM 290 CD1 PHE A 18 0.198 -8.762 1.894 1.00 62.22 C ATOM 291 CD2 PHE A 18 1.002 -10.545 0.528 1.00 52.53 C ATOM 292 CE1 PHE A 18 0.753 -7.842 1.024 1.00 41.11 C ATOM 293 CE2 PHE A 18 1.562 -9.627 -0.343 1.00 31.42 C ATOM 294 CZ PHE A 18 1.435 -8.275 -0.095 1.00 4.35 C ATOM 0 H PHE A 18 1.591 -12.772 2.502 1.00 42.42 H new ATOM 0 HA PHE A 18 0.980 -10.579 4.246 1.00 73.24 H new ATOM 0 HB2 PHE A 18 -0.541 -12.034 2.052 1.00 64.12 H new ATOM 0 HB3 PHE A 18 -1.257 -10.720 2.965 1.00 64.12 H new ATOM 0 HD1 PHE A 18 -0.334 -8.416 2.768 1.00 62.22 H new ATOM 0 HD2 PHE A 18 1.100 -11.601 0.325 1.00 52.53 H new ATOM 0 HE1 PHE A 18 0.653 -6.785 1.220 1.00 41.11 H new ATOM 0 HE2 PHE A 18 2.098 -9.968 -1.216 1.00 31.42 H new ATOM 0 HZ PHE A 18 1.869 -7.557 -0.776 1.00 4.35 H new ATOM 304 N ILE A 19 -0.185 -11.763 6.125 1.00 41.31 N ATOM 305 CA ILE A 19 -0.978 -12.329 7.219 1.00 5.45 C ATOM 306 C ILE A 19 -2.425 -11.809 7.174 1.00 51.12 C ATOM 307 O ILE A 19 -3.375 -12.537 7.475 1.00 74.35 O ATOM 308 CB ILE A 19 -0.350 -11.987 8.595 1.00 3.42 C ATOM 309 CG1 ILE A 19 1.152 -12.330 8.596 1.00 14.12 C ATOM 310 CG2 ILE A 19 -1.076 -12.731 9.716 1.00 73.24 C ATOM 311 CD1 ILE A 19 1.867 -11.958 9.880 1.00 74.02 C ATOM 0 H ILE A 19 0.455 -11.022 6.411 1.00 41.31 H new ATOM 0 HA ILE A 19 -0.984 -13.411 7.092 1.00 5.45 H new ATOM 0 HB ILE A 19 -0.459 -10.917 8.772 1.00 3.42 H new ATOM 0 HG12 ILE A 19 1.270 -13.400 8.423 1.00 14.12 H new ATOM 0 HG13 ILE A 19 1.632 -11.817 7.763 1.00 14.12 H new ATOM 0 HG21 ILE A 19 -0.621 -12.479 10.674 1.00 73.24 H new ATOM 0 HG22 ILE A 19 -2.126 -12.440 9.725 1.00 73.24 H new ATOM 0 HG23 ILE A 19 -0.998 -13.805 9.549 1.00 73.24 H new ATOM 0 HD11 ILE A 19 2.919 -12.231 9.803 1.00 74.02 H new ATOM 0 HD12 ILE A 19 1.782 -10.884 10.046 1.00 74.02 H new ATOM 0 HD13 ILE A 19 1.414 -12.491 10.716 1.00 74.02 H new ATOM 323 N TYR A 20 -2.580 -10.541 6.794 1.00 65.41 N ATOM 324 CA TYR A 20 -3.901 -9.913 6.652 1.00 21.24 C ATOM 325 C TYR A 20 -3.990 -9.137 5.332 1.00 75.50 C ATOM 326 O TYR A 20 -3.021 -8.497 4.919 1.00 61.13 O ATOM 327 CB TYR A 20 -4.179 -8.964 7.828 1.00 23.31 C ATOM 328 CG TYR A 20 -4.165 -9.648 9.185 1.00 2.12 C ATOM 329 CD1 TYR A 20 -5.224 -10.451 9.591 1.00 24.23 C ATOM 330 CD2 TYR A 20 -3.089 -9.496 10.053 1.00 63.15 C ATOM 331 CE1 TYR A 20 -5.212 -11.083 10.820 1.00 45.32 C ATOM 332 CE2 TYR A 20 -3.070 -10.124 11.285 1.00 73.22 C ATOM 333 CZ TYR A 20 -4.133 -10.917 11.662 1.00 15.10 C ATOM 334 OH TYR A 20 -4.116 -11.550 12.886 1.00 24.24 O ATOM 0 H TYR A 20 -1.801 -9.920 6.576 1.00 65.41 H new ATOM 0 HA TYR A 20 -4.651 -10.704 6.650 1.00 21.24 H new ATOM 0 HB2 TYR A 20 -3.434 -8.169 7.825 1.00 23.31 H new ATOM 0 HB3 TYR A 20 -5.150 -8.492 7.680 1.00 23.31 H new ATOM 0 HD1 TYR A 20 -6.071 -10.584 8.935 1.00 24.23 H new ATOM 0 HD2 TYR A 20 -2.254 -8.877 9.760 1.00 63.15 H new ATOM 0 HE1 TYR A 20 -6.044 -11.704 11.119 1.00 45.32 H new ATOM 0 HE2 TYR A 20 -2.227 -9.994 11.948 1.00 73.22 H new ATOM 0 HH TYR A 20 -3.285 -11.330 13.356 1.00 24.24 H new ATOM 344 N LYS A 21 -5.146 -9.194 4.674 1.00 45.45 N ATOM 345 CA LYS A 21 -5.343 -8.482 3.407 1.00 51.40 C ATOM 346 C LYS A 21 -5.787 -7.026 3.643 1.00 53.30 C ATOM 347 O LYS A 21 -6.680 -6.762 4.453 1.00 2.32 O ATOM 348 CB LYS A 21 -6.378 -9.210 2.527 1.00 2.54 C ATOM 349 CG LYS A 21 -7.771 -9.301 3.147 1.00 53.45 C ATOM 350 CD LYS A 21 -8.789 -9.897 2.176 1.00 53.30 C ATOM 351 CE LYS A 21 -10.188 -9.943 2.782 1.00 53.23 C ATOM 352 NZ LYS A 21 -11.190 -10.496 1.830 1.00 30.01 N ATOM 0 H LYS A 21 -5.958 -9.722 4.993 1.00 45.45 H new ATOM 0 HA LYS A 21 -4.384 -8.467 2.889 1.00 51.40 H new ATOM 0 HB2 LYS A 21 -6.451 -8.694 1.569 1.00 2.54 H new ATOM 0 HB3 LYS A 21 -6.018 -10.218 2.320 1.00 2.54 H new ATOM 0 HG2 LYS A 21 -7.728 -9.912 4.048 1.00 53.45 H new ATOM 0 HG3 LYS A 21 -8.099 -8.307 3.451 1.00 53.45 H new ATOM 0 HD2 LYS A 21 -8.808 -9.305 1.261 1.00 53.30 H new ATOM 0 HD3 LYS A 21 -8.480 -10.905 1.898 1.00 53.30 H new ATOM 0 HE2 LYS A 21 -10.172 -10.552 3.686 1.00 53.23 H new ATOM 0 HE3 LYS A 21 -10.487 -8.938 3.080 1.00 53.23 H new ATOM 0 HZ1 LYS A 21 -12.127 -10.510 2.281 1.00 30.01 H new ATOM 0 HZ2 LYS A 21 -11.225 -9.901 0.978 1.00 30.01 H new ATOM 0 HZ3 LYS A 21 -10.919 -11.464 1.565 1.00 30.01 H new ATOM 366 N PRO A 22 -5.144 -6.056 2.963 1.00 45.21 N ATOM 367 CA PRO A 22 -5.562 -4.644 3.009 1.00 63.54 C ATOM 368 C PRO A 22 -6.984 -4.438 2.453 1.00 2.30 C ATOM 369 O PRO A 22 -7.303 -4.875 1.344 1.00 50.03 O ATOM 370 CB PRO A 22 -4.518 -3.922 2.139 1.00 21.32 C ATOM 371 CG PRO A 22 -3.883 -4.992 1.310 1.00 22.41 C ATOM 372 CD PRO A 22 -3.948 -6.253 2.125 1.00 13.15 C ATOM 0 HA PRO A 22 -5.604 -4.265 4.030 1.00 63.54 H new ATOM 0 HB2 PRO A 22 -4.986 -3.164 1.511 1.00 21.32 H new ATOM 0 HB3 PRO A 22 -3.778 -3.412 2.756 1.00 21.32 H new ATOM 0 HG2 PRO A 22 -4.409 -5.114 0.363 1.00 22.41 H new ATOM 0 HG3 PRO A 22 -2.851 -4.737 1.071 1.00 22.41 H new ATOM 0 HD2 PRO A 22 -4.041 -7.136 1.493 1.00 13.15 H new ATOM 0 HD3 PRO A 22 -3.051 -6.387 2.730 1.00 13.15 H new ATOM 380 N GLN A 23 -7.825 -3.747 3.219 1.00 31.32 N ATOM 381 CA GLN A 23 -9.243 -3.591 2.876 1.00 4.32 C ATOM 382 C GLN A 23 -9.506 -2.331 2.037 1.00 11.33 C ATOM 383 O GLN A 23 -8.866 -1.296 2.224 1.00 62.05 O ATOM 384 CB GLN A 23 -10.085 -3.544 4.156 1.00 15.34 C ATOM 385 CG GLN A 23 -10.067 -4.838 4.963 1.00 13.41 C ATOM 386 CD GLN A 23 -10.701 -6.000 4.217 1.00 62.52 C ATOM 387 OE1 GLN A 23 -10.032 -6.746 3.513 1.00 71.52 O ATOM 388 NE2 GLN A 23 -12.000 -6.157 4.357 1.00 31.13 N ATOM 0 H GLN A 23 -7.551 -3.283 4.085 1.00 31.32 H new ATOM 0 HA GLN A 23 -9.528 -4.452 2.271 1.00 4.32 H new ATOM 0 HB2 GLN A 23 -9.724 -2.731 4.786 1.00 15.34 H new ATOM 0 HB3 GLN A 23 -11.116 -3.308 3.891 1.00 15.34 H new ATOM 0 HG2 GLN A 23 -9.037 -5.091 5.214 1.00 13.41 H new ATOM 0 HG3 GLN A 23 -10.596 -4.683 5.903 1.00 13.41 H new ATOM 0 HE21 GLN A 23 -12.530 -5.519 4.951 1.00 31.13 H new ATOM 0 HE22 GLN A 23 -12.477 -6.917 3.872 1.00 31.13 H new ATOM 397 N SER A 24 -10.463 -2.435 1.118 1.00 64.11 N ATOM 398 CA SER A 24 -10.828 -1.323 0.230 1.00 50.22 C ATOM 399 C SER A 24 -11.717 -0.293 0.944 1.00 62.34 C ATOM 400 O SER A 24 -12.692 -0.651 1.610 1.00 32.34 O ATOM 401 CB SER A 24 -11.557 -1.861 -1.009 1.00 33.05 C ATOM 402 OG SER A 24 -12.720 -2.591 -0.643 1.00 60.54 O ATOM 0 H SER A 24 -11.007 -3.284 0.965 1.00 64.11 H new ATOM 0 HA SER A 24 -9.907 -0.823 -0.070 1.00 50.22 H new ATOM 0 HB2 SER A 24 -11.834 -1.032 -1.660 1.00 33.05 H new ATOM 0 HB3 SER A 24 -10.886 -2.503 -1.579 1.00 33.05 H new ATOM 0 HG SER A 24 -13.167 -2.921 -1.450 1.00 60.54 H new ATOM 408 N LYS A 25 -11.384 0.988 0.798 1.00 51.33 N ATOM 409 CA LYS A 25 -12.150 2.070 1.433 1.00 33.44 C ATOM 410 C LYS A 25 -12.436 3.205 0.436 1.00 31.22 C ATOM 411 O LYS A 25 -11.749 3.343 -0.578 1.00 60.44 O ATOM 412 CB LYS A 25 -11.391 2.616 2.656 1.00 52.23 C ATOM 413 CG LYS A 25 -11.127 1.570 3.742 1.00 74.32 C ATOM 414 CD LYS A 25 -10.418 2.163 4.961 1.00 60.11 C ATOM 415 CE LYS A 25 -11.268 3.217 5.658 1.00 23.35 C ATOM 416 NZ LYS A 25 -10.618 3.723 6.895 1.00 4.00 N ATOM 0 H LYS A 25 -10.588 1.307 0.245 1.00 51.33 H new ATOM 0 HA LYS A 25 -13.104 1.659 1.763 1.00 33.44 H new ATOM 0 HB2 LYS A 25 -10.438 3.030 2.325 1.00 52.23 H new ATOM 0 HB3 LYS A 25 -11.962 3.438 3.088 1.00 52.23 H new ATOM 0 HG2 LYS A 25 -12.073 1.128 4.055 1.00 74.32 H new ATOM 0 HG3 LYS A 25 -10.520 0.765 3.328 1.00 74.32 H new ATOM 0 HD2 LYS A 25 -10.179 1.366 5.665 1.00 60.11 H new ATOM 0 HD3 LYS A 25 -9.472 2.607 4.650 1.00 60.11 H new ATOM 0 HE2 LYS A 25 -11.447 4.048 4.976 1.00 23.35 H new ATOM 0 HE3 LYS A 25 -12.241 2.793 5.906 1.00 23.35 H new ATOM 0 HZ1 LYS A 25 -11.228 4.438 7.340 1.00 4.00 H new ATOM 0 HZ2 LYS A 25 -10.470 2.934 7.557 1.00 4.00 H new ATOM 0 HZ3 LYS A 25 -9.701 4.151 6.655 1.00 4.00 H new ATOM 430 N LYS A 26 -13.457 4.012 0.725 1.00 13.11 N ATOM 431 CA LYS A 26 -13.824 5.138 -0.144 1.00 74.32 C ATOM 432 C LYS A 26 -14.013 6.441 0.651 1.00 5.54 C ATOM 433 O LYS A 26 -14.614 6.445 1.727 1.00 61.54 O ATOM 434 CB LYS A 26 -15.099 4.800 -0.933 1.00 64.25 C ATOM 435 CG LYS A 26 -16.337 4.559 -0.076 1.00 21.30 C ATOM 436 CD LYS A 26 -17.542 4.154 -0.923 1.00 24.12 C ATOM 437 CE LYS A 26 -17.341 2.802 -1.601 1.00 30.21 C ATOM 438 NZ LYS A 26 -17.238 1.693 -0.612 1.00 13.41 N ATOM 0 H LYS A 26 -14.046 3.910 1.552 1.00 13.11 H new ATOM 0 HA LYS A 26 -13.002 5.301 -0.841 1.00 74.32 H new ATOM 0 HB2 LYS A 26 -15.307 5.615 -1.626 1.00 64.25 H new ATOM 0 HB3 LYS A 26 -14.912 3.910 -1.534 1.00 64.25 H new ATOM 0 HG2 LYS A 26 -16.127 3.778 0.655 1.00 21.30 H new ATOM 0 HG3 LYS A 26 -16.574 5.464 0.484 1.00 21.30 H new ATOM 0 HD2 LYS A 26 -18.430 4.114 -0.293 1.00 24.12 H new ATOM 0 HD3 LYS A 26 -17.723 4.916 -1.681 1.00 24.12 H new ATOM 0 HE2 LYS A 26 -18.173 2.608 -2.278 1.00 30.21 H new ATOM 0 HE3 LYS A 26 -16.436 2.832 -2.208 1.00 30.21 H new ATOM 0 HZ1 LYS A 26 -17.290 0.780 -1.107 1.00 13.41 H new ATOM 0 HZ2 LYS A 26 -16.332 1.762 -0.106 1.00 13.41 H new ATOM 0 HZ3 LYS A 26 -18.021 1.762 0.069 1.00 13.41 H new ATOM 452 N VAL A 27 -13.500 7.549 0.110 1.00 24.52 N ATOM 453 CA VAL A 27 -13.561 8.861 0.784 1.00 22.12 C ATOM 454 C VAL A 27 -13.920 9.993 -0.199 1.00 34.04 C ATOM 455 O VAL A 27 -14.094 9.759 -1.395 1.00 11.22 O ATOM 456 CB VAL A 27 -12.216 9.204 1.480 1.00 40.12 C ATOM 457 CG1 VAL A 27 -11.922 8.235 2.624 1.00 34.42 C ATOM 458 CG2 VAL A 27 -11.074 9.203 0.468 1.00 15.13 C ATOM 0 H VAL A 27 -13.034 7.569 -0.797 1.00 24.52 H new ATOM 0 HA VAL A 27 -14.346 8.784 1.536 1.00 22.12 H new ATOM 0 HB VAL A 27 -12.303 10.204 1.904 1.00 40.12 H new ATOM 0 HG11 VAL A 27 -10.974 8.501 3.092 1.00 34.42 H new ATOM 0 HG12 VAL A 27 -12.720 8.293 3.364 1.00 34.42 H new ATOM 0 HG13 VAL A 27 -11.862 7.219 2.234 1.00 34.42 H new ATOM 0 HG21 VAL A 27 -10.139 9.445 0.974 1.00 15.13 H new ATOM 0 HG22 VAL A 27 -10.994 8.217 0.011 1.00 15.13 H new ATOM 0 HG23 VAL A 27 -11.272 9.946 -0.305 1.00 15.13 H new ATOM 468 N LEU A 28 -14.034 11.221 0.314 1.00 54.43 N ATOM 469 CA LEU A 28 -14.375 12.384 -0.518 1.00 34.55 C ATOM 470 C LEU A 28 -13.113 13.086 -1.049 1.00 20.33 C ATOM 471 O LEU A 28 -12.017 12.915 -0.509 1.00 41.13 O ATOM 472 CB LEU A 28 -15.218 13.387 0.286 1.00 24.21 C ATOM 473 CG LEU A 28 -16.576 12.867 0.789 1.00 50.32 C ATOM 474 CD1 LEU A 28 -17.283 13.932 1.628 1.00 32.32 C ATOM 475 CD2 LEU A 28 -17.451 12.427 -0.382 1.00 41.13 C ATOM 0 H LEU A 28 -13.896 11.438 1.301 1.00 54.43 H new ATOM 0 HA LEU A 28 -14.951 12.021 -1.369 1.00 34.55 H new ATOM 0 HB2 LEU A 28 -14.635 13.716 1.146 1.00 24.21 H new ATOM 0 HB3 LEU A 28 -15.394 14.265 -0.335 1.00 24.21 H new ATOM 0 HG LEU A 28 -16.398 11.999 1.423 1.00 50.32 H new ATOM 0 HD11 LEU A 28 -18.241 13.545 1.974 1.00 32.32 H new ATOM 0 HD12 LEU A 28 -16.663 14.189 2.487 1.00 32.32 H new ATOM 0 HD13 LEU A 28 -17.449 14.822 1.021 1.00 32.32 H new ATOM 0 HD21 LEU A 28 -18.407 12.063 -0.005 1.00 41.13 H new ATOM 0 HD22 LEU A 28 -17.622 13.274 -1.047 1.00 41.13 H new ATOM 0 HD23 LEU A 28 -16.950 11.630 -0.931 1.00 41.13 H new ATOM 487 N GLU A 29 -13.278 13.880 -2.110 1.00 40.23 N ATOM 488 CA GLU A 29 -12.155 14.620 -2.704 1.00 73.12 C ATOM 489 C GLU A 29 -11.576 15.649 -1.721 1.00 33.45 C ATOM 490 O GLU A 29 -12.227 16.637 -1.377 1.00 50.55 O ATOM 491 CB GLU A 29 -12.584 15.317 -4.004 1.00 74.24 C ATOM 492 CG GLU A 29 -13.032 14.357 -5.100 1.00 62.52 C ATOM 493 CD GLU A 29 -13.264 15.052 -6.433 1.00 23.34 C ATOM 494 OE1 GLU A 29 -14.205 15.864 -6.527 1.00 65.13 O ATOM 495 OE2 GLU A 29 -12.513 14.775 -7.397 1.00 50.31 O ATOM 0 H GLU A 29 -14.173 14.029 -2.576 1.00 40.23 H new ATOM 0 HA GLU A 29 -11.375 13.894 -2.935 1.00 73.12 H new ATOM 0 HB2 GLU A 29 -13.399 16.007 -3.783 1.00 74.24 H new ATOM 0 HB3 GLU A 29 -11.752 15.915 -4.376 1.00 74.24 H new ATOM 0 HG2 GLU A 29 -12.278 13.580 -5.227 1.00 62.52 H new ATOM 0 HG3 GLU A 29 -13.952 13.861 -4.789 1.00 62.52 H new ATOM 502 N GLY A 30 -10.344 15.407 -1.280 1.00 71.44 N ATOM 503 CA GLY A 30 -9.702 16.277 -0.298 1.00 44.24 C ATOM 504 C GLY A 30 -9.518 15.604 1.058 1.00 21.12 C ATOM 505 O GLY A 30 -8.928 16.185 1.974 1.00 51.34 O ATOM 0 H GLY A 30 -9.772 14.619 -1.585 1.00 71.44 H new ATOM 0 HA2 GLY A 30 -8.730 16.590 -0.678 1.00 44.24 H new ATOM 0 HA3 GLY A 30 -10.301 17.179 -0.172 1.00 44.24 H new ATOM 509 N ASP A 31 -10.029 14.381 1.193 1.00 3.44 N ATOM 510 CA ASP A 31 -9.890 13.613 2.435 1.00 32.25 C ATOM 511 C ASP A 31 -8.609 12.757 2.443 1.00 1.12 C ATOM 512 O ASP A 31 -7.803 12.800 1.508 1.00 44.42 O ATOM 513 CB ASP A 31 -11.122 12.716 2.647 1.00 24.41 C ATOM 514 CG ASP A 31 -12.404 13.497 2.895 1.00 22.31 C ATOM 515 OD1 ASP A 31 -12.358 14.746 2.948 1.00 45.31 O ATOM 516 OD2 ASP A 31 -13.467 12.858 3.063 1.00 42.13 O ATOM 0 H ASP A 31 -10.544 13.898 0.457 1.00 3.44 H new ATOM 0 HA ASP A 31 -9.815 14.329 3.254 1.00 32.25 H new ATOM 0 HB2 ASP A 31 -11.256 12.082 1.770 1.00 24.41 H new ATOM 0 HB3 ASP A 31 -10.939 12.055 3.494 1.00 24.41 H new ATOM 521 N SER A 32 -8.431 11.986 3.516 1.00 64.15 N ATOM 522 CA SER A 32 -7.273 11.096 3.656 1.00 62.13 C ATOM 523 C SER A 32 -7.710 9.663 3.987 1.00 64.54 C ATOM 524 O SER A 32 -8.803 9.437 4.517 1.00 41.42 O ATOM 525 CB SER A 32 -6.323 11.610 4.751 1.00 12.20 C ATOM 526 OG SER A 32 -6.945 11.611 6.028 1.00 15.42 O ATOM 0 H SER A 32 -9.076 11.959 4.306 1.00 64.15 H new ATOM 0 HA SER A 32 -6.749 11.088 2.700 1.00 62.13 H new ATOM 0 HB2 SER A 32 -5.431 10.985 4.781 1.00 12.20 H new ATOM 0 HB3 SER A 32 -5.996 12.620 4.505 1.00 12.20 H new ATOM 0 HG SER A 32 -6.313 11.942 6.700 1.00 15.42 H new ATOM 532 N VAL A 33 -6.852 8.695 3.678 1.00 32.43 N ATOM 533 CA VAL A 33 -7.144 7.279 3.937 1.00 41.43 C ATOM 534 C VAL A 33 -5.857 6.491 4.243 1.00 13.32 C ATOM 535 O VAL A 33 -4.762 6.895 3.845 1.00 24.41 O ATOM 536 CB VAL A 33 -7.861 6.631 2.720 1.00 50.34 C ATOM 537 CG1 VAL A 33 -6.913 6.534 1.525 1.00 40.24 C ATOM 538 CG2 VAL A 33 -8.441 5.261 3.081 1.00 1.01 C ATOM 0 H VAL A 33 -5.943 8.861 3.246 1.00 32.43 H new ATOM 0 HA VAL A 33 -7.800 7.239 4.807 1.00 41.43 H new ATOM 0 HB VAL A 33 -8.695 7.274 2.439 1.00 50.34 H new ATOM 0 HG11 VAL A 33 -7.434 6.078 0.683 1.00 40.24 H new ATOM 0 HG12 VAL A 33 -6.577 7.532 1.245 1.00 40.24 H new ATOM 0 HG13 VAL A 33 -6.051 5.923 1.793 1.00 40.24 H new ATOM 0 HG21 VAL A 33 -8.936 4.834 2.209 1.00 1.01 H new ATOM 0 HG22 VAL A 33 -7.637 4.599 3.402 1.00 1.01 H new ATOM 0 HG23 VAL A 33 -9.164 5.373 3.889 1.00 1.01 H new ATOM 548 N LYS A 34 -5.990 5.375 4.962 1.00 32.13 N ATOM 549 CA LYS A 34 -4.857 4.471 5.198 1.00 14.01 C ATOM 550 C LYS A 34 -5.188 3.032 4.774 1.00 4.40 C ATOM 551 O LYS A 34 -6.261 2.506 5.081 1.00 63.25 O ATOM 552 CB LYS A 34 -4.423 4.486 6.672 1.00 54.52 C ATOM 553 CG LYS A 34 -5.515 4.061 7.652 1.00 32.42 C ATOM 554 CD LYS A 34 -4.944 3.703 9.024 1.00 41.23 C ATOM 555 CE LYS A 34 -4.168 4.850 9.659 1.00 65.44 C ATOM 556 NZ LYS A 34 -3.544 4.442 10.949 1.00 54.35 N ATOM 0 H LYS A 34 -6.866 5.074 5.390 1.00 32.13 H new ATOM 0 HA LYS A 34 -4.032 4.836 4.586 1.00 14.01 H new ATOM 0 HB2 LYS A 34 -3.565 3.825 6.793 1.00 54.52 H new ATOM 0 HB3 LYS A 34 -4.090 5.491 6.931 1.00 54.52 H new ATOM 0 HG2 LYS A 34 -6.240 4.868 7.760 1.00 32.42 H new ATOM 0 HG3 LYS A 34 -6.052 3.203 7.247 1.00 32.42 H new ATOM 0 HD2 LYS A 34 -5.759 3.411 9.687 1.00 41.23 H new ATOM 0 HD3 LYS A 34 -4.288 2.838 8.925 1.00 41.23 H new ATOM 0 HE2 LYS A 34 -3.394 5.191 8.971 1.00 65.44 H new ATOM 0 HE3 LYS A 34 -4.838 5.693 9.829 1.00 65.44 H new ATOM 0 HZ1 LYS A 34 -3.024 5.247 11.353 1.00 54.35 H new ATOM 0 HZ2 LYS A 34 -4.285 4.140 11.613 1.00 54.35 H new ATOM 0 HZ3 LYS A 34 -2.886 3.654 10.783 1.00 54.35 H new ATOM 570 N LEU A 35 -4.263 2.409 4.056 1.00 20.10 N ATOM 571 CA LEU A 35 -4.376 0.996 3.688 1.00 74.24 C ATOM 572 C LEU A 35 -3.215 0.207 4.310 1.00 4.43 C ATOM 573 O LEU A 35 -2.059 0.391 3.931 1.00 31.42 O ATOM 574 CB LEU A 35 -4.351 0.858 2.157 1.00 31.23 C ATOM 575 CG LEU A 35 -5.442 1.645 1.400 1.00 55.35 C ATOM 576 CD1 LEU A 35 -5.249 1.527 -0.112 1.00 15.24 C ATOM 577 CD2 LEU A 35 -6.835 1.164 1.806 1.00 31.43 C ATOM 0 H LEU A 35 -3.416 2.862 3.712 1.00 20.10 H new ATOM 0 HA LEU A 35 -5.317 0.596 4.064 1.00 74.24 H new ATOM 0 HB2 LEU A 35 -3.376 1.185 1.796 1.00 31.23 H new ATOM 0 HB3 LEU A 35 -4.447 -0.198 1.903 1.00 31.23 H new ATOM 0 HG LEU A 35 -5.351 2.697 1.672 1.00 55.35 H new ATOM 0 HD11 LEU A 35 -6.030 2.090 -0.623 1.00 15.24 H new ATOM 0 HD12 LEU A 35 -4.273 1.928 -0.387 1.00 15.24 H new ATOM 0 HD13 LEU A 35 -5.306 0.479 -0.405 1.00 15.24 H new ATOM 0 HD21 LEU A 35 -7.589 1.732 1.261 1.00 31.43 H new ATOM 0 HD22 LEU A 35 -6.937 0.105 1.570 1.00 31.43 H new ATOM 0 HD23 LEU A 35 -6.973 1.312 2.877 1.00 31.43 H new ATOM 589 N GLU A 36 -3.514 -0.674 5.265 1.00 22.14 N ATOM 590 CA GLU A 36 -2.455 -1.361 6.020 1.00 23.25 C ATOM 591 C GLU A 36 -2.632 -2.886 6.050 1.00 31.53 C ATOM 592 O GLU A 36 -3.740 -3.407 5.911 1.00 33.12 O ATOM 593 CB GLU A 36 -2.383 -0.815 7.455 1.00 44.33 C ATOM 594 CG GLU A 36 -3.652 -1.032 8.274 1.00 34.31 C ATOM 595 CD GLU A 36 -3.532 -0.492 9.690 1.00 34.20 C ATOM 596 OE1 GLU A 36 -3.036 -1.222 10.574 1.00 31.23 O ATOM 597 OE2 GLU A 36 -3.922 0.670 9.928 1.00 64.22 O ATOM 0 H GLU A 36 -4.464 -0.929 5.535 1.00 22.14 H new ATOM 0 HA GLU A 36 -1.520 -1.158 5.498 1.00 23.25 H new ATOM 0 HB2 GLU A 36 -1.547 -1.288 7.970 1.00 44.33 H new ATOM 0 HB3 GLU A 36 -2.169 0.253 7.415 1.00 44.33 H new ATOM 0 HG2 GLU A 36 -4.490 -0.547 7.774 1.00 34.31 H new ATOM 0 HG3 GLU A 36 -3.877 -2.098 8.313 1.00 34.31 H new ATOM 604 N CYS A 37 -1.512 -3.588 6.225 1.00 73.44 N ATOM 605 CA CYS A 37 -1.499 -5.054 6.324 1.00 22.41 C ATOM 606 C CYS A 37 -0.262 -5.546 7.096 1.00 45.10 C ATOM 607 O CYS A 37 0.659 -4.777 7.371 1.00 73.23 O ATOM 608 CB CYS A 37 -1.522 -5.686 4.926 1.00 25.00 C ATOM 609 SG CYS A 37 -0.152 -5.184 3.861 1.00 61.54 S ATOM 0 H CYS A 37 -0.589 -3.161 6.302 1.00 73.44 H new ATOM 0 HA CYS A 37 -2.392 -5.359 6.870 1.00 22.41 H new ATOM 0 HB2 CYS A 37 -1.507 -6.771 5.030 1.00 25.00 H new ATOM 0 HB3 CYS A 37 -2.461 -5.425 4.438 1.00 25.00 H new ATOM 0 HG CYS A 37 0.139 -6.152 3.043 1.00 61.54 H new ATOM 615 N GLN A 38 -0.248 -6.832 7.447 1.00 41.31 N ATOM 616 CA GLN A 38 0.902 -7.439 8.137 1.00 64.34 C ATOM 617 C GLN A 38 1.663 -8.392 7.202 1.00 22.22 C ATOM 618 O GLN A 38 1.095 -9.362 6.698 1.00 2.21 O ATOM 619 CB GLN A 38 0.435 -8.207 9.386 1.00 43.11 C ATOM 620 CG GLN A 38 -0.155 -7.325 10.483 1.00 3.23 C ATOM 621 CD GLN A 38 0.871 -6.414 11.154 1.00 13.45 C ATOM 622 OE1 GLN A 38 0.548 -5.319 11.593 1.00 12.43 O ATOM 623 NE2 GLN A 38 2.109 -6.866 11.263 1.00 1.31 N ATOM 0 H GLN A 38 -1.017 -7.477 7.267 1.00 41.31 H new ATOM 0 HA GLN A 38 1.573 -6.635 8.439 1.00 64.34 H new ATOM 0 HB2 GLN A 38 -0.311 -8.943 9.087 1.00 43.11 H new ATOM 0 HB3 GLN A 38 1.281 -8.759 9.796 1.00 43.11 H new ATOM 0 HG2 GLN A 38 -0.949 -6.712 10.057 1.00 3.23 H new ATOM 0 HG3 GLN A 38 -0.615 -7.960 11.240 1.00 3.23 H new ATOM 0 HE21 GLN A 38 2.352 -7.783 10.888 1.00 1.31 H new ATOM 0 HE22 GLN A 38 2.821 -6.298 11.722 1.00 1.31 H new ATOM 632 N ILE A 39 2.943 -8.109 6.977 1.00 33.40 N ATOM 633 CA ILE A 39 3.794 -8.943 6.119 1.00 51.11 C ATOM 634 C ILE A 39 5.014 -9.465 6.897 1.00 13.12 C ATOM 635 O ILE A 39 5.842 -8.686 7.368 1.00 5.35 O ATOM 636 CB ILE A 39 4.289 -8.151 4.879 1.00 61.50 C ATOM 637 CG1 ILE A 39 3.101 -7.586 4.084 1.00 43.53 C ATOM 638 CG2 ILE A 39 5.161 -9.037 3.987 1.00 4.21 C ATOM 639 CD1 ILE A 39 3.507 -6.766 2.874 1.00 43.41 C ATOM 0 H ILE A 39 3.421 -7.302 7.379 1.00 33.40 H new ATOM 0 HA ILE A 39 3.187 -9.785 5.787 1.00 51.11 H new ATOM 0 HB ILE A 39 4.894 -7.314 5.228 1.00 61.50 H new ATOM 0 HG12 ILE A 39 2.470 -8.412 3.756 1.00 43.53 H new ATOM 0 HG13 ILE A 39 2.496 -6.966 4.745 1.00 43.53 H new ATOM 0 HG21 ILE A 39 5.498 -8.464 3.123 1.00 4.21 H new ATOM 0 HG22 ILE A 39 6.026 -9.384 4.553 1.00 4.21 H new ATOM 0 HG23 ILE A 39 4.581 -9.896 3.649 1.00 4.21 H new ATOM 0 HD11 ILE A 39 2.614 -6.402 2.365 1.00 43.41 H new ATOM 0 HD12 ILE A 39 4.113 -5.919 3.195 1.00 43.41 H new ATOM 0 HD13 ILE A 39 4.086 -7.387 2.191 1.00 43.41 H new ATOM 651 N SER A 40 5.129 -10.786 7.021 1.00 24.24 N ATOM 652 CA SER A 40 6.254 -11.395 7.752 1.00 51.53 C ATOM 653 C SER A 40 7.405 -11.759 6.807 1.00 75.40 C ATOM 654 O SER A 40 7.329 -12.747 6.074 1.00 71.14 O ATOM 655 CB SER A 40 5.788 -12.652 8.503 1.00 1.45 C ATOM 656 OG SER A 40 6.866 -13.278 9.187 1.00 71.15 O ATOM 0 H SER A 40 4.466 -11.456 6.631 1.00 24.24 H new ATOM 0 HA SER A 40 6.617 -10.658 8.468 1.00 51.53 H new ATOM 0 HB2 SER A 40 5.009 -12.383 9.217 1.00 1.45 H new ATOM 0 HB3 SER A 40 5.345 -13.355 7.798 1.00 1.45 H new ATOM 0 HG SER A 40 6.538 -14.073 9.656 1.00 71.15 H new ATOM 662 N ALA A 41 8.450 -10.930 6.801 1.00 31.51 N ATOM 663 CA ALA A 41 9.658 -11.191 6.004 1.00 10.51 C ATOM 664 C ALA A 41 10.942 -10.980 6.824 1.00 33.14 C ATOM 665 O ALA A 41 10.962 -10.189 7.770 1.00 63.02 O ATOM 666 CB ALA A 41 9.676 -10.305 4.768 1.00 23.14 C ATOM 0 H ALA A 41 8.487 -10.066 7.342 1.00 31.51 H new ATOM 0 HA ALA A 41 9.629 -12.237 5.698 1.00 10.51 H new ATOM 0 HB1 ALA A 41 10.576 -10.509 4.187 1.00 23.14 H new ATOM 0 HB2 ALA A 41 8.796 -10.512 4.159 1.00 23.14 H new ATOM 0 HB3 ALA A 41 9.669 -9.258 5.071 1.00 23.14 H new ATOM 672 N ILE A 42 12.017 -11.677 6.450 1.00 73.04 N ATOM 673 CA ILE A 42 13.322 -11.513 7.111 1.00 51.01 C ATOM 674 C ILE A 42 14.474 -11.554 6.086 1.00 44.12 C ATOM 675 O ILE A 42 14.757 -12.606 5.510 1.00 51.54 O ATOM 676 CB ILE A 42 13.570 -12.612 8.183 1.00 62.35 C ATOM 677 CG1 ILE A 42 12.445 -12.609 9.236 1.00 54.32 C ATOM 678 CG2 ILE A 42 14.932 -12.414 8.853 1.00 53.25 C ATOM 679 CD1 ILE A 42 12.601 -13.671 10.311 1.00 43.45 C ATOM 0 H ILE A 42 12.014 -12.361 5.694 1.00 73.04 H new ATOM 0 HA ILE A 42 13.299 -10.539 7.600 1.00 51.01 H new ATOM 0 HB ILE A 42 13.570 -13.581 7.684 1.00 62.35 H new ATOM 0 HG12 ILE A 42 12.409 -11.629 9.711 1.00 54.32 H new ATOM 0 HG13 ILE A 42 11.489 -12.755 8.732 1.00 54.32 H new ATOM 0 HG21 ILE A 42 15.087 -13.193 9.600 1.00 53.25 H new ATOM 0 HG22 ILE A 42 15.719 -12.471 8.101 1.00 53.25 H new ATOM 0 HG23 ILE A 42 14.961 -11.437 9.336 1.00 53.25 H new ATOM 0 HD11 ILE A 42 11.770 -13.603 11.013 1.00 43.45 H new ATOM 0 HD12 ILE A 42 12.606 -14.658 9.849 1.00 43.45 H new ATOM 0 HD13 ILE A 42 13.539 -13.515 10.843 1.00 43.45 H new ATOM 691 N PRO A 43 15.150 -10.412 5.818 1.00 62.22 N ATOM 692 CA PRO A 43 14.816 -9.093 6.408 1.00 20.33 C ATOM 693 C PRO A 43 13.581 -8.430 5.744 1.00 22.33 C ATOM 694 O PRO A 43 13.005 -8.986 4.811 1.00 23.21 O ATOM 695 CB PRO A 43 16.091 -8.281 6.124 1.00 42.05 C ATOM 696 CG PRO A 43 16.621 -8.855 4.856 1.00 23.42 C ATOM 697 CD PRO A 43 16.320 -10.330 4.918 1.00 64.33 C ATOM 0 HA PRO A 43 14.547 -9.162 7.462 1.00 20.33 H new ATOM 0 HB2 PRO A 43 15.870 -7.219 6.018 1.00 42.05 H new ATOM 0 HB3 PRO A 43 16.812 -8.377 6.936 1.00 42.05 H new ATOM 0 HG2 PRO A 43 16.146 -8.395 3.990 1.00 23.42 H new ATOM 0 HG3 PRO A 43 17.693 -8.678 4.764 1.00 23.42 H new ATOM 0 HD2 PRO A 43 16.095 -10.734 3.931 1.00 64.33 H new ATOM 0 HD3 PRO A 43 17.166 -10.895 5.309 1.00 64.33 H new ATOM 705 N PRO A 44 13.140 -7.245 6.232 1.00 42.21 N ATOM 706 CA PRO A 44 12.041 -6.480 5.599 1.00 41.40 C ATOM 707 C PRO A 44 12.188 -6.358 4.062 1.00 22.42 C ATOM 708 O PRO A 44 13.282 -6.097 3.552 1.00 44.22 O ATOM 709 CB PRO A 44 12.162 -5.106 6.266 1.00 22.41 C ATOM 710 CG PRO A 44 12.703 -5.403 7.624 1.00 34.02 C ATOM 711 CD PRO A 44 13.642 -6.570 7.449 1.00 73.33 C ATOM 0 HA PRO A 44 11.074 -6.965 5.736 1.00 41.40 H new ATOM 0 HB2 PRO A 44 12.829 -4.450 5.707 1.00 22.41 H new ATOM 0 HB3 PRO A 44 11.196 -4.605 6.323 1.00 22.41 H new ATOM 0 HG2 PRO A 44 13.226 -4.539 8.034 1.00 34.02 H new ATOM 0 HG3 PRO A 44 11.900 -5.649 8.319 1.00 34.02 H new ATOM 0 HD2 PRO A 44 14.673 -6.239 7.327 1.00 73.33 H new ATOM 0 HD3 PRO A 44 13.621 -7.234 8.313 1.00 73.33 H new ATOM 719 N PRO A 45 11.084 -6.544 3.302 1.00 51.23 N ATOM 720 CA PRO A 45 11.116 -6.550 1.832 1.00 24.13 C ATOM 721 C PRO A 45 10.951 -5.157 1.193 1.00 34.32 C ATOM 722 O PRO A 45 10.631 -4.176 1.871 1.00 4.23 O ATOM 723 CB PRO A 45 9.911 -7.431 1.496 1.00 0.51 C ATOM 724 CG PRO A 45 8.917 -7.130 2.572 1.00 42.01 C ATOM 725 CD PRO A 45 9.713 -6.765 3.811 1.00 2.20 C ATOM 0 HA PRO A 45 12.076 -6.898 1.449 1.00 24.13 H new ATOM 0 HB2 PRO A 45 9.511 -7.197 0.509 1.00 0.51 H new ATOM 0 HB3 PRO A 45 10.181 -8.487 1.489 1.00 0.51 H new ATOM 0 HG2 PRO A 45 8.263 -6.309 2.276 1.00 42.01 H new ATOM 0 HG3 PRO A 45 8.279 -7.993 2.762 1.00 42.01 H new ATOM 0 HD2 PRO A 45 9.316 -5.871 4.291 1.00 2.20 H new ATOM 0 HD3 PRO A 45 9.686 -7.563 4.552 1.00 2.20 H new ATOM 733 N LYS A 46 11.176 -5.086 -0.120 1.00 0.01 N ATOM 734 CA LYS A 46 10.934 -3.862 -0.892 1.00 0.41 C ATOM 735 C LYS A 46 9.464 -3.805 -1.342 1.00 33.11 C ATOM 736 O LYS A 46 8.959 -4.745 -1.961 1.00 52.22 O ATOM 737 CB LYS A 46 11.869 -3.821 -2.114 1.00 12.22 C ATOM 738 CG LYS A 46 11.841 -2.504 -2.890 1.00 45.25 C ATOM 739 CD LYS A 46 12.363 -1.331 -2.060 1.00 34.23 C ATOM 740 CE LYS A 46 12.479 -0.061 -2.897 1.00 51.42 C ATOM 741 NZ LYS A 46 12.996 1.086 -2.106 1.00 32.43 N ATOM 0 H LYS A 46 11.528 -5.866 -0.675 1.00 0.01 H new ATOM 0 HA LYS A 46 11.140 -2.996 -0.263 1.00 0.41 H new ATOM 0 HB2 LYS A 46 12.890 -4.010 -1.781 1.00 12.22 H new ATOM 0 HB3 LYS A 46 11.598 -4.632 -2.790 1.00 12.22 H new ATOM 0 HG2 LYS A 46 12.443 -2.604 -3.793 1.00 45.25 H new ATOM 0 HG3 LYS A 46 10.820 -2.295 -3.209 1.00 45.25 H new ATOM 0 HD2 LYS A 46 11.694 -1.153 -1.218 1.00 34.23 H new ATOM 0 HD3 LYS A 46 13.338 -1.584 -1.644 1.00 34.23 H new ATOM 0 HE2 LYS A 46 13.141 -0.245 -3.743 1.00 51.42 H new ATOM 0 HE3 LYS A 46 11.501 0.193 -3.306 1.00 51.42 H new ATOM 0 HZ1 LYS A 46 13.058 1.927 -2.714 1.00 32.43 H new ATOM 0 HZ2 LYS A 46 12.352 1.279 -1.313 1.00 32.43 H new ATOM 0 HZ3 LYS A 46 13.940 0.855 -1.736 1.00 32.43 H new ATOM 755 N LEU A 47 8.780 -2.710 -1.020 1.00 74.13 N ATOM 756 CA LEU A 47 7.341 -2.582 -1.295 1.00 74.23 C ATOM 757 C LEU A 47 7.072 -1.776 -2.579 1.00 22.02 C ATOM 758 O LEU A 47 7.751 -0.788 -2.862 1.00 65.33 O ATOM 759 CB LEU A 47 6.643 -1.909 -0.106 1.00 51.34 C ATOM 760 CG LEU A 47 6.892 -2.566 1.264 1.00 12.10 C ATOM 761 CD1 LEU A 47 6.294 -1.717 2.385 1.00 34.35 C ATOM 762 CD2 LEU A 47 6.326 -3.988 1.293 1.00 4.34 C ATOM 0 H LEU A 47 9.194 -1.895 -0.568 1.00 74.13 H new ATOM 0 HA LEU A 47 6.941 -3.585 -1.442 1.00 74.23 H new ATOM 0 HB2 LEU A 47 6.968 -0.870 -0.056 1.00 51.34 H new ATOM 0 HB3 LEU A 47 5.570 -1.898 -0.295 1.00 51.34 H new ATOM 0 HG LEU A 47 7.968 -2.628 1.424 1.00 12.10 H new ATOM 0 HD11 LEU A 47 6.481 -2.198 3.345 1.00 34.35 H new ATOM 0 HD12 LEU A 47 6.755 -0.729 2.379 1.00 34.35 H new ATOM 0 HD13 LEU A 47 5.219 -1.617 2.232 1.00 34.35 H new ATOM 0 HD21 LEU A 47 6.513 -4.434 2.270 1.00 4.34 H new ATOM 0 HD22 LEU A 47 5.252 -3.956 1.108 1.00 4.34 H new ATOM 0 HD23 LEU A 47 6.809 -4.588 0.522 1.00 4.34 H new ATOM 774 N PHE A 48 6.076 -2.211 -3.351 1.00 31.13 N ATOM 775 CA PHE A 48 5.669 -1.514 -4.580 1.00 54.41 C ATOM 776 C PHE A 48 4.147 -1.295 -4.616 1.00 22.02 C ATOM 777 O PHE A 48 3.380 -2.200 -4.294 1.00 65.23 O ATOM 778 CB PHE A 48 6.095 -2.320 -5.818 1.00 23.52 C ATOM 779 CG PHE A 48 7.589 -2.478 -5.962 1.00 52.33 C ATOM 780 CD1 PHE A 48 8.250 -3.558 -5.388 1.00 61.31 C ATOM 781 CD2 PHE A 48 8.332 -1.549 -6.677 1.00 63.25 C ATOM 782 CE1 PHE A 48 9.616 -3.701 -5.523 1.00 52.44 C ATOM 783 CE2 PHE A 48 9.699 -1.690 -6.812 1.00 35.21 C ATOM 784 CZ PHE A 48 10.341 -2.769 -6.236 1.00 73.51 C ATOM 0 H PHE A 48 5.530 -3.049 -3.148 1.00 31.13 H new ATOM 0 HA PHE A 48 6.163 -0.543 -4.588 1.00 54.41 H new ATOM 0 HB2 PHE A 48 5.638 -3.308 -5.770 1.00 23.52 H new ATOM 0 HB3 PHE A 48 5.704 -1.831 -6.710 1.00 23.52 H new ATOM 0 HD1 PHE A 48 7.688 -4.293 -4.830 1.00 61.31 H new ATOM 0 HD2 PHE A 48 7.835 -0.706 -7.133 1.00 63.25 H new ATOM 0 HE1 PHE A 48 10.118 -4.543 -5.070 1.00 52.44 H new ATOM 0 HE2 PHE A 48 10.266 -0.957 -7.367 1.00 35.21 H new ATOM 0 HZ PHE A 48 11.410 -2.883 -6.344 1.00 73.51 H new ATOM 794 N TRP A 49 3.721 -0.092 -5.008 1.00 71.34 N ATOM 795 CA TRP A 49 2.290 0.221 -5.173 1.00 73.42 C ATOM 796 C TRP A 49 2.007 0.816 -6.560 1.00 12.41 C ATOM 797 O TRP A 49 2.612 1.812 -6.958 1.00 63.24 O ATOM 798 CB TRP A 49 1.811 1.197 -4.086 1.00 21.04 C ATOM 799 CG TRP A 49 1.649 0.566 -2.731 1.00 12.33 C ATOM 800 CD1 TRP A 49 2.620 0.372 -1.794 1.00 44.34 C ATOM 801 CD2 TRP A 49 0.436 0.052 -2.164 1.00 74.05 C ATOM 802 NE1 TRP A 49 2.086 -0.226 -0.677 1.00 62.32 N ATOM 803 CE2 TRP A 49 0.747 -0.431 -0.879 1.00 13.21 C ATOM 804 CE3 TRP A 49 -0.887 -0.041 -2.614 1.00 15.43 C ATOM 805 CZ2 TRP A 49 -0.212 -0.998 -0.042 1.00 61.40 C ATOM 806 CZ3 TRP A 49 -1.838 -0.609 -1.783 1.00 42.52 C ATOM 807 CH2 TRP A 49 -1.495 -1.078 -0.509 1.00 60.22 C ATOM 0 H TRP A 49 4.345 0.687 -5.219 1.00 71.34 H new ATOM 0 HA TRP A 49 1.741 -0.716 -5.076 1.00 73.42 H new ATOM 0 HB2 TRP A 49 2.522 2.019 -4.011 1.00 21.04 H new ATOM 0 HB3 TRP A 49 0.858 1.627 -4.392 1.00 21.04 H new ATOM 0 HD1 TRP A 49 3.658 0.648 -1.912 1.00 44.34 H new ATOM 0 HE1 TRP A 49 2.603 -0.476 0.166 1.00 62.32 H new ATOM 0 HE3 TRP A 49 -1.161 0.324 -3.593 1.00 15.43 H new ATOM 0 HZ2 TRP A 49 0.049 -1.362 0.941 1.00 61.40 H new ATOM 0 HZ3 TRP A 49 -2.860 -0.692 -2.123 1.00 42.52 H new ATOM 0 HH2 TRP A 49 -2.260 -1.512 0.118 1.00 60.22 H new ATOM 818 N LYS A 50 1.082 0.202 -7.292 1.00 75.34 N ATOM 819 CA LYS A 50 0.714 0.671 -8.635 1.00 74.34 C ATOM 820 C LYS A 50 -0.812 0.700 -8.814 1.00 30.12 C ATOM 821 O LYS A 50 -1.492 -0.283 -8.534 1.00 33.42 O ATOM 822 CB LYS A 50 1.359 -0.246 -9.686 1.00 41.22 C ATOM 823 CG LYS A 50 1.048 0.122 -11.136 1.00 72.32 C ATOM 824 CD LYS A 50 1.704 -0.850 -12.120 1.00 14.24 C ATOM 825 CE LYS A 50 3.224 -0.896 -11.955 1.00 53.35 C ATOM 826 NZ LYS A 50 3.860 -1.872 -12.882 1.00 2.24 N ATOM 0 H LYS A 50 0.570 -0.624 -6.982 1.00 75.34 H new ATOM 0 HA LYS A 50 1.081 1.689 -8.764 1.00 74.34 H new ATOM 0 HB2 LYS A 50 2.440 -0.231 -9.546 1.00 41.22 H new ATOM 0 HB3 LYS A 50 1.028 -1.269 -9.507 1.00 41.22 H new ATOM 0 HG2 LYS A 50 -0.031 0.121 -11.288 1.00 72.32 H new ATOM 0 HG3 LYS A 50 1.397 1.135 -11.337 1.00 72.32 H new ATOM 0 HD2 LYS A 50 1.293 -1.849 -11.971 1.00 14.24 H new ATOM 0 HD3 LYS A 50 1.459 -0.553 -13.140 1.00 14.24 H new ATOM 0 HE2 LYS A 50 3.638 0.096 -12.135 1.00 53.35 H new ATOM 0 HE3 LYS A 50 3.468 -1.162 -10.927 1.00 53.35 H new ATOM 0 HZ1 LYS A 50 4.890 -1.870 -12.735 1.00 2.24 H new ATOM 0 HZ2 LYS A 50 3.486 -2.824 -12.694 1.00 2.24 H new ATOM 0 HZ3 LYS A 50 3.650 -1.605 -13.865 1.00 2.24 H new ATOM 840 N ARG A 51 -1.342 1.834 -9.276 1.00 52.53 N ATOM 841 CA ARG A 51 -2.783 1.973 -9.544 1.00 13.41 C ATOM 842 C ARG A 51 -3.054 2.071 -11.051 1.00 42.12 C ATOM 843 O ARG A 51 -2.661 3.050 -11.683 1.00 4.13 O ATOM 844 CB ARG A 51 -3.339 3.231 -8.853 1.00 24.21 C ATOM 845 CG ARG A 51 -4.765 3.583 -9.286 1.00 20.45 C ATOM 846 CD ARG A 51 -5.243 4.918 -8.715 1.00 32.53 C ATOM 847 NE ARG A 51 -4.318 6.018 -8.993 1.00 71.24 N ATOM 848 CZ ARG A 51 -4.113 6.540 -10.174 1.00 45.22 C ATOM 849 NH1 ARG A 51 -4.756 6.110 -11.214 1.00 41.20 N ATOM 850 NH2 ARG A 51 -3.276 7.517 -10.304 1.00 44.24 N ATOM 0 H ARG A 51 -0.797 2.673 -9.474 1.00 52.53 H new ATOM 0 HA ARG A 51 -3.280 1.087 -9.148 1.00 13.41 H new ATOM 0 HB2 ARG A 51 -3.322 3.081 -7.773 1.00 24.21 H new ATOM 0 HB3 ARG A 51 -2.683 4.075 -9.068 1.00 24.21 H new ATOM 0 HG2 ARG A 51 -4.811 3.621 -10.374 1.00 20.45 H new ATOM 0 HG3 ARG A 51 -5.443 2.792 -8.966 1.00 20.45 H new ATOM 0 HD2 ARG A 51 -6.221 5.157 -9.133 1.00 32.53 H new ATOM 0 HD3 ARG A 51 -5.372 4.821 -7.637 1.00 32.53 H new ATOM 0 HE ARG A 51 -3.795 6.406 -8.208 1.00 71.24 H new ATOM 0 HH11 ARG A 51 -5.434 5.354 -11.118 1.00 41.20 H new ATOM 0 HH12 ARG A 51 -4.584 6.528 -12.128 1.00 41.20 H new ATOM 0 HH21 ARG A 51 -2.780 7.876 -9.488 1.00 44.24 H new ATOM 0 HH22 ARG A 51 -3.111 7.929 -11.223 1.00 44.24 H new ATOM 864 N ASN A 52 -3.733 1.070 -11.617 1.00 51.31 N ATOM 865 CA ASN A 52 -4.103 1.090 -13.045 1.00 42.13 C ATOM 866 C ASN A 52 -2.919 1.504 -13.942 1.00 24.23 C ATOM 867 O ASN A 52 -3.017 2.458 -14.722 1.00 42.44 O ATOM 868 CB ASN A 52 -5.300 2.032 -13.271 1.00 13.54 C ATOM 869 CG ASN A 52 -6.638 1.424 -12.877 1.00 4.25 C ATOM 870 OD1 ASN A 52 -6.651 0.533 -11.902 1.00 42.24 O flip ATOM 871 ND2 ASN A 52 -7.667 1.755 -13.450 1.00 45.54 N flip ATOM 0 H ASN A 52 -4.039 0.236 -11.115 1.00 51.31 H new ATOM 0 HA ASN A 52 -4.386 0.075 -13.325 1.00 42.13 H new ATOM 0 HB2 ASN A 52 -5.144 2.947 -12.700 1.00 13.54 H new ATOM 0 HB3 ASN A 52 -5.335 2.315 -14.323 1.00 13.54 H new ATOM 0 HD21 ASN A 52 -7.634 2.445 -14.200 1.00 45.54 H new ATOM 0 HD22 ASN A 52 -8.558 1.341 -13.177 1.00 45.54 H new ATOM 878 N ASN A 53 -1.801 0.786 -13.803 1.00 33.24 N ATOM 879 CA ASN A 53 -0.584 1.026 -14.605 1.00 30.42 C ATOM 880 C ASN A 53 0.142 2.338 -14.230 1.00 15.41 C ATOM 881 O ASN A 53 1.140 2.700 -14.859 1.00 64.41 O ATOM 882 CB ASN A 53 -0.909 1.014 -16.104 1.00 11.33 C ATOM 883 CG ASN A 53 -1.478 -0.314 -16.559 1.00 10.23 C ATOM 884 OD1 ASN A 53 -1.134 -1.368 -16.031 1.00 71.05 O ATOM 885 ND2 ASN A 53 -2.359 -0.280 -17.535 1.00 12.04 N ATOM 0 H ASN A 53 -1.708 0.022 -13.134 1.00 33.24 H new ATOM 0 HA ASN A 53 0.098 0.208 -14.374 1.00 30.42 H new ATOM 0 HB2 ASN A 53 -1.623 1.807 -16.325 1.00 11.33 H new ATOM 0 HB3 ASN A 53 -0.004 1.232 -16.671 1.00 11.33 H new ATOM 0 HD21 ASN A 53 -2.778 -1.146 -17.874 1.00 12.04 H new ATOM 0 HD22 ASN A 53 -2.623 0.612 -17.952 1.00 12.04 H new ATOM 892 N GLU A 54 -0.350 3.043 -13.214 1.00 34.23 N ATOM 893 CA GLU A 54 0.310 4.262 -12.722 1.00 54.12 C ATOM 894 C GLU A 54 1.142 3.976 -11.464 1.00 33.41 C ATOM 895 O GLU A 54 0.670 3.343 -10.517 1.00 50.31 O ATOM 896 CB GLU A 54 -0.725 5.365 -12.438 1.00 3.40 C ATOM 897 CG GLU A 54 -1.402 5.919 -13.691 1.00 71.22 C ATOM 898 CD GLU A 54 -2.464 6.967 -13.380 1.00 41.25 C ATOM 899 OE1 GLU A 54 -2.117 8.036 -12.829 1.00 71.04 O ATOM 900 OE2 GLU A 54 -3.654 6.725 -13.675 1.00 72.03 O ATOM 0 H GLU A 54 -1.203 2.796 -12.712 1.00 34.23 H new ATOM 0 HA GLU A 54 0.986 4.610 -13.503 1.00 54.12 H new ATOM 0 HB2 GLU A 54 -1.489 4.968 -11.770 1.00 3.40 H new ATOM 0 HB3 GLU A 54 -0.234 6.183 -11.911 1.00 3.40 H new ATOM 0 HG2 GLU A 54 -0.646 6.358 -14.342 1.00 71.22 H new ATOM 0 HG3 GLU A 54 -1.860 5.098 -14.243 1.00 71.22 H new ATOM 907 N MET A 55 2.384 4.448 -11.467 1.00 71.22 N ATOM 908 CA MET A 55 3.308 4.238 -10.350 1.00 51.12 C ATOM 909 C MET A 55 3.008 5.214 -9.201 1.00 75.13 C ATOM 910 O MET A 55 3.132 6.430 -9.361 1.00 71.21 O ATOM 911 CB MET A 55 4.760 4.422 -10.834 1.00 61.02 C ATOM 912 CG MET A 55 5.831 4.089 -9.793 1.00 43.12 C ATOM 913 SD MET A 55 6.318 2.343 -9.788 1.00 44.24 S ATOM 914 CE MET A 55 4.869 1.536 -9.104 1.00 11.34 C ATOM 0 H MET A 55 2.781 4.985 -12.238 1.00 71.22 H new ATOM 0 HA MET A 55 3.177 3.222 -9.978 1.00 51.12 H new ATOM 0 HB2 MET A 55 4.918 3.794 -11.711 1.00 61.02 H new ATOM 0 HB3 MET A 55 4.893 5.455 -11.154 1.00 61.02 H new ATOM 0 HG2 MET A 55 6.712 4.703 -9.981 1.00 43.12 H new ATOM 0 HG3 MET A 55 5.460 4.357 -8.804 1.00 43.12 H new ATOM 0 HE1 MET A 55 5.174 0.648 -8.550 1.00 11.34 H new ATOM 0 HE2 MET A 55 4.353 2.223 -8.433 1.00 11.34 H new ATOM 0 HE3 MET A 55 4.198 1.246 -9.913 1.00 11.34 H new ATOM 924 N VAL A 56 2.610 4.683 -8.046 1.00 54.13 N ATOM 925 CA VAL A 56 2.315 5.520 -6.879 1.00 40.31 C ATOM 926 C VAL A 56 3.610 6.053 -6.247 1.00 60.13 C ATOM 927 O VAL A 56 4.381 5.300 -5.653 1.00 63.10 O ATOM 928 CB VAL A 56 1.497 4.739 -5.818 1.00 0.20 C ATOM 929 CG1 VAL A 56 1.126 5.640 -4.638 1.00 14.31 C ATOM 930 CG2 VAL A 56 0.248 4.127 -6.452 1.00 55.45 C ATOM 0 H VAL A 56 2.484 3.683 -7.891 1.00 54.13 H new ATOM 0 HA VAL A 56 1.717 6.363 -7.226 1.00 40.31 H new ATOM 0 HB VAL A 56 2.119 3.930 -5.435 1.00 0.20 H new ATOM 0 HG11 VAL A 56 0.553 5.067 -3.909 1.00 14.31 H new ATOM 0 HG12 VAL A 56 2.034 6.018 -4.169 1.00 14.31 H new ATOM 0 HG13 VAL A 56 0.526 6.477 -4.994 1.00 14.31 H new ATOM 0 HG21 VAL A 56 -0.315 3.582 -5.694 1.00 55.45 H new ATOM 0 HG22 VAL A 56 -0.375 4.919 -6.867 1.00 55.45 H new ATOM 0 HG23 VAL A 56 0.542 3.442 -7.247 1.00 55.45 H new ATOM 940 N GLN A 57 3.850 7.353 -6.396 1.00 42.15 N ATOM 941 CA GLN A 57 5.078 7.978 -5.897 1.00 11.12 C ATOM 942 C GLN A 57 4.872 8.604 -4.509 1.00 53.00 C ATOM 943 O GLN A 57 3.982 9.428 -4.308 1.00 13.14 O ATOM 944 CB GLN A 57 5.566 9.036 -6.894 1.00 34.31 C ATOM 945 CG GLN A 57 5.951 8.459 -8.251 1.00 54.00 C ATOM 946 CD GLN A 57 6.387 9.525 -9.238 1.00 71.34 C ATOM 947 OE1 GLN A 57 5.578 10.066 -9.987 1.00 23.12 O ATOM 948 NE2 GLN A 57 7.665 9.839 -9.242 1.00 74.13 N ATOM 0 H GLN A 57 3.210 7.998 -6.859 1.00 42.15 H new ATOM 0 HA GLN A 57 5.835 7.201 -5.796 1.00 11.12 H new ATOM 0 HB2 GLN A 57 4.783 9.781 -7.034 1.00 34.31 H new ATOM 0 HB3 GLN A 57 6.427 9.554 -6.470 1.00 34.31 H new ATOM 0 HG2 GLN A 57 6.759 7.739 -8.119 1.00 54.00 H new ATOM 0 HG3 GLN A 57 5.102 7.913 -8.663 1.00 54.00 H new ATOM 0 HE21 GLN A 57 8.308 9.368 -8.605 1.00 74.13 H new ATOM 0 HE22 GLN A 57 8.013 10.553 -9.882 1.00 74.13 H new ATOM 957 N PHE A 58 5.725 8.221 -3.562 1.00 13.03 N ATOM 958 CA PHE A 58 5.591 8.647 -2.163 1.00 2.41 C ATOM 959 C PHE A 58 6.484 9.864 -1.856 1.00 73.53 C ATOM 960 O PHE A 58 6.876 10.087 -0.712 1.00 54.22 O ATOM 961 CB PHE A 58 5.958 7.471 -1.243 1.00 4.42 C ATOM 962 CG PHE A 58 5.397 6.152 -1.713 1.00 13.04 C ATOM 963 CD1 PHE A 58 4.055 5.845 -1.533 1.00 25.43 C ATOM 964 CD2 PHE A 58 6.212 5.223 -2.346 1.00 44.23 C ATOM 965 CE1 PHE A 58 3.541 4.641 -1.975 1.00 55.30 C ATOM 966 CE2 PHE A 58 5.702 4.018 -2.788 1.00 21.51 C ATOM 967 CZ PHE A 58 4.365 3.727 -2.602 1.00 54.42 C ATOM 0 H PHE A 58 6.524 7.611 -3.736 1.00 13.03 H new ATOM 0 HA PHE A 58 4.558 8.948 -1.987 1.00 2.41 H new ATOM 0 HB2 PHE A 58 7.043 7.394 -1.177 1.00 4.42 H new ATOM 0 HB3 PHE A 58 5.592 7.677 -0.237 1.00 4.42 H new ATOM 0 HD1 PHE A 58 3.406 6.555 -1.042 1.00 25.43 H new ATOM 0 HD2 PHE A 58 7.258 5.446 -2.495 1.00 44.23 H new ATOM 0 HE1 PHE A 58 2.495 4.415 -1.830 1.00 55.30 H new ATOM 0 HE2 PHE A 58 6.348 3.305 -3.278 1.00 21.51 H new ATOM 0 HZ PHE A 58 3.964 2.785 -2.947 1.00 54.42 H new ATOM 977 N ASN A 59 6.765 10.671 -2.879 1.00 24.21 N ATOM 978 CA ASN A 59 7.701 11.803 -2.754 1.00 24.43 C ATOM 979 C ASN A 59 7.072 13.031 -2.066 1.00 50.45 C ATOM 980 O ASN A 59 7.702 14.085 -1.975 1.00 40.31 O ATOM 981 CB ASN A 59 8.220 12.203 -4.143 1.00 64.20 C ATOM 982 CG ASN A 59 7.101 12.616 -5.083 1.00 4.24 C ATOM 983 OD1 ASN A 59 6.532 11.792 -5.785 1.00 5.34 O ATOM 984 ND2 ASN A 59 6.773 13.892 -5.110 1.00 30.15 N ATOM 0 H ASN A 59 6.359 10.566 -3.809 1.00 24.21 H new ATOM 0 HA ASN A 59 8.522 11.466 -2.121 1.00 24.43 H new ATOM 0 HB2 ASN A 59 8.927 13.026 -4.040 1.00 64.20 H new ATOM 0 HB3 ASN A 59 8.766 11.366 -4.578 1.00 64.20 H new ATOM 0 HD21 ASN A 59 6.028 14.214 -5.727 1.00 30.15 H new ATOM 0 HD22 ASN A 59 7.264 14.558 -4.514 1.00 30.15 H new ATOM 991 N THR A 60 5.840 12.898 -1.585 1.00 31.03 N ATOM 992 CA THR A 60 5.114 14.026 -0.971 1.00 31.15 C ATOM 993 C THR A 60 4.574 13.668 0.418 1.00 25.43 C ATOM 994 O THR A 60 4.433 12.497 0.755 1.00 41.32 O ATOM 995 CB THR A 60 3.934 14.491 -1.868 1.00 41.41 C ATOM 996 OG1 THR A 60 3.039 15.331 -1.120 1.00 2.01 O ATOM 997 CG2 THR A 60 3.163 13.299 -2.432 1.00 12.14 C ATOM 0 H THR A 60 5.315 12.023 -1.604 1.00 31.03 H new ATOM 0 HA THR A 60 5.834 14.838 -0.870 1.00 31.15 H new ATOM 0 HB THR A 60 4.354 15.056 -2.700 1.00 41.41 H new ATOM 0 HG1 THR A 60 2.301 15.618 -1.697 1.00 2.01 H new ATOM 0 HG21 THR A 60 2.344 13.658 -3.055 1.00 12.14 H new ATOM 0 HG22 THR A 60 3.833 12.683 -3.032 1.00 12.14 H new ATOM 0 HG23 THR A 60 2.761 12.704 -1.612 1.00 12.14 H new ATOM 1005 N ASP A 61 4.258 14.687 1.217 1.00 1.44 N ATOM 1006 CA ASP A 61 3.681 14.483 2.552 1.00 34.43 C ATOM 1007 C ASP A 61 2.252 13.932 2.442 1.00 51.22 C ATOM 1008 O ASP A 61 1.740 13.300 3.367 1.00 42.50 O ATOM 1009 CB ASP A 61 3.677 15.811 3.328 1.00 32.32 C ATOM 1010 CG ASP A 61 3.161 15.673 4.754 1.00 42.22 C ATOM 1011 OD1 ASP A 61 1.926 15.670 4.959 1.00 53.13 O ATOM 1012 OD2 ASP A 61 3.987 15.586 5.684 1.00 51.23 O ATOM 0 H ASP A 61 4.391 15.666 0.965 1.00 1.44 H new ATOM 0 HA ASP A 61 4.291 13.757 3.089 1.00 34.43 H new ATOM 0 HB2 ASP A 61 4.690 16.213 3.353 1.00 32.32 H new ATOM 0 HB3 ASP A 61 3.060 16.534 2.794 1.00 32.32 H new ATOM 1017 N ARG A 62 1.617 14.174 1.298 1.00 0.45 N ATOM 1018 CA ARG A 62 0.250 13.710 1.064 1.00 63.33 C ATOM 1019 C ARG A 62 0.212 12.202 0.764 1.00 54.22 C ATOM 1020 O ARG A 62 -0.774 11.531 1.056 1.00 11.12 O ATOM 1021 CB ARG A 62 -0.401 14.494 -0.082 1.00 53.21 C ATOM 1022 CG ARG A 62 -0.280 16.010 0.064 1.00 23.42 C ATOM 1023 CD ARG A 62 -1.190 16.757 -0.910 1.00 22.33 C ATOM 1024 NE ARG A 62 -1.127 16.203 -2.263 1.00 12.50 N ATOM 1025 CZ ARG A 62 -0.715 16.858 -3.312 1.00 42.45 C ATOM 1026 NH1 ARG A 62 -0.257 18.064 -3.203 1.00 35.20 N ATOM 1027 NH2 ARG A 62 -0.754 16.293 -4.472 1.00 14.00 N ATOM 0 H ARG A 62 2.026 14.688 0.518 1.00 0.45 H new ATOM 0 HA ARG A 62 -0.317 13.888 1.978 1.00 63.33 H new ATOM 0 HB2 ARG A 62 0.057 14.191 -1.024 1.00 53.21 H new ATOM 0 HB3 ARG A 62 -1.456 14.227 -0.140 1.00 53.21 H new ATOM 0 HG2 ARG A 62 -0.531 16.296 1.085 1.00 23.42 H new ATOM 0 HG3 ARG A 62 0.754 16.308 -0.106 1.00 23.42 H new ATOM 0 HD2 ARG A 62 -2.218 16.714 -0.549 1.00 22.33 H new ATOM 0 HD3 ARG A 62 -0.905 17.809 -0.937 1.00 22.33 H new ATOM 0 HE ARG A 62 -1.426 15.237 -2.394 1.00 12.50 H new ATOM 0 HH11 ARG A 62 -0.215 18.513 -2.288 1.00 35.20 H new ATOM 0 HH12 ARG A 62 0.062 18.565 -4.032 1.00 35.20 H new ATOM 0 HH21 ARG A 62 -1.106 15.340 -4.563 1.00 14.00 H new ATOM 0 HH22 ARG A 62 -0.433 16.800 -5.297 1.00 14.00 H new ATOM 1041 N ILE A 63 1.287 11.675 0.183 1.00 44.35 N ATOM 1042 CA ILE A 63 1.385 10.237 -0.108 1.00 63.23 C ATOM 1043 C ILE A 63 2.589 9.629 0.624 1.00 1.21 C ATOM 1044 O ILE A 63 3.728 10.044 0.415 1.00 61.55 O ATOM 1045 CB ILE A 63 1.541 9.973 -1.631 1.00 21.42 C ATOM 1046 CG1 ILE A 63 0.407 10.648 -2.429 1.00 62.31 C ATOM 1047 CG2 ILE A 63 1.581 8.469 -1.917 1.00 73.14 C ATOM 1048 CD1 ILE A 63 -0.978 10.140 -2.084 1.00 5.31 C ATOM 0 H ILE A 63 2.104 12.217 -0.097 1.00 44.35 H new ATOM 0 HA ILE A 63 0.461 9.772 0.237 1.00 63.23 H new ATOM 0 HB ILE A 63 2.486 10.410 -1.953 1.00 21.42 H new ATOM 0 HG12 ILE A 63 0.443 11.723 -2.252 1.00 62.31 H new ATOM 0 HG13 ILE A 63 0.584 10.494 -3.493 1.00 62.31 H new ATOM 0 HG21 ILE A 63 1.691 8.305 -2.989 1.00 73.14 H new ATOM 0 HG22 ILE A 63 2.426 8.021 -1.393 1.00 73.14 H new ATOM 0 HG23 ILE A 63 0.655 8.008 -1.572 1.00 73.14 H new ATOM 0 HD11 ILE A 63 -1.719 10.664 -2.688 1.00 5.31 H new ATOM 0 HD12 ILE A 63 -1.035 9.071 -2.288 1.00 5.31 H new ATOM 0 HD13 ILE A 63 -1.179 10.319 -1.028 1.00 5.31 H new ATOM 1060 N SER A 64 2.345 8.616 1.447 1.00 44.34 N ATOM 1061 CA SER A 64 3.409 8.015 2.270 1.00 1.53 C ATOM 1062 C SER A 64 3.266 6.494 2.362 1.00 41.44 C ATOM 1063 O SER A 64 2.162 5.959 2.290 1.00 53.42 O ATOM 1064 CB SER A 64 3.397 8.612 3.689 1.00 31.53 C ATOM 1065 OG SER A 64 3.589 10.020 3.672 1.00 25.31 O ATOM 0 H SER A 64 1.427 8.189 1.568 1.00 44.34 H new ATOM 0 HA SER A 64 4.357 8.243 1.783 1.00 1.53 H new ATOM 0 HB2 SER A 64 2.448 8.381 4.172 1.00 31.53 H new ATOM 0 HB3 SER A 64 4.181 8.146 4.286 1.00 31.53 H new ATOM 0 HG SER A 64 3.574 10.363 4.590 1.00 25.31 H new ATOM 1071 N LEU A 65 4.389 5.805 2.527 1.00 11.02 N ATOM 1072 CA LEU A 65 4.397 4.351 2.705 1.00 34.33 C ATOM 1073 C LEU A 65 5.460 3.941 3.731 1.00 51.50 C ATOM 1074 O LEU A 65 6.659 4.034 3.465 1.00 4.51 O ATOM 1075 CB LEU A 65 4.673 3.650 1.366 1.00 61.40 C ATOM 1076 CG LEU A 65 4.758 2.115 1.432 1.00 22.51 C ATOM 1077 CD1 LEU A 65 3.412 1.510 1.822 1.00 71.42 C ATOM 1078 CD2 LEU A 65 5.248 1.544 0.102 1.00 35.31 C ATOM 0 H LEU A 65 5.316 6.231 2.542 1.00 11.02 H new ATOM 0 HA LEU A 65 3.416 4.047 3.071 1.00 34.33 H new ATOM 0 HB2 LEU A 65 3.887 3.924 0.663 1.00 61.40 H new ATOM 0 HB3 LEU A 65 5.610 4.032 0.961 1.00 61.40 H new ATOM 0 HG LEU A 65 5.481 1.848 2.203 1.00 22.51 H new ATOM 0 HD11 LEU A 65 3.499 0.424 1.862 1.00 71.42 H new ATOM 0 HD12 LEU A 65 3.114 1.886 2.801 1.00 71.42 H new ATOM 0 HD13 LEU A 65 2.661 1.787 1.083 1.00 71.42 H new ATOM 0 HD21 LEU A 65 5.301 0.457 0.170 1.00 35.31 H new ATOM 0 HD22 LEU A 65 4.556 1.825 -0.692 1.00 35.31 H new ATOM 0 HD23 LEU A 65 6.238 1.942 -0.122 1.00 35.31 H new ATOM 1090 N TYR A 66 5.027 3.489 4.905 1.00 44.31 N ATOM 1091 CA TYR A 66 5.969 3.084 5.952 1.00 53.54 C ATOM 1092 C TYR A 66 5.703 1.653 6.430 1.00 44.43 C ATOM 1093 O TYR A 66 4.557 1.198 6.476 1.00 74.22 O ATOM 1094 CB TYR A 66 5.923 4.068 7.136 1.00 2.15 C ATOM 1095 CG TYR A 66 4.627 4.063 7.937 1.00 12.03 C ATOM 1096 CD1 TYR A 66 3.538 4.835 7.547 1.00 52.30 C ATOM 1097 CD2 TYR A 66 4.503 3.301 9.096 1.00 11.23 C ATOM 1098 CE1 TYR A 66 2.368 4.845 8.281 1.00 64.03 C ATOM 1099 CE2 TYR A 66 3.335 3.309 9.835 1.00 43.43 C ATOM 1100 CZ TYR A 66 2.272 4.084 9.426 1.00 30.41 C ATOM 1101 OH TYR A 66 1.107 4.096 10.166 1.00 54.14 O ATOM 0 H TYR A 66 4.043 3.393 5.156 1.00 44.31 H new ATOM 0 HA TYR A 66 6.969 3.106 5.519 1.00 53.54 H new ATOM 0 HB2 TYR A 66 6.748 3.838 7.810 1.00 2.15 H new ATOM 0 HB3 TYR A 66 6.092 5.076 6.756 1.00 2.15 H new ATOM 0 HD1 TYR A 66 3.608 5.438 6.654 1.00 52.30 H new ATOM 0 HD2 TYR A 66 5.334 2.693 9.423 1.00 11.23 H new ATOM 0 HE1 TYR A 66 1.531 5.447 7.959 1.00 64.03 H new ATOM 0 HE2 TYR A 66 3.256 2.710 10.730 1.00 43.43 H new ATOM 0 HH TYR A 66 1.206 3.505 10.941 1.00 54.14 H new ATOM 1111 N GLN A 67 6.777 0.943 6.765 1.00 65.01 N ATOM 1112 CA GLN A 67 6.680 -0.413 7.306 1.00 62.20 C ATOM 1113 C GLN A 67 7.310 -0.484 8.707 1.00 34.34 C ATOM 1114 O GLN A 67 8.470 -0.120 8.906 1.00 11.13 O ATOM 1115 CB GLN A 67 7.347 -1.417 6.349 1.00 65.43 C ATOM 1116 CG GLN A 67 8.823 -1.138 6.069 1.00 62.33 C ATOM 1117 CD GLN A 67 9.419 -2.099 5.054 1.00 32.03 C ATOM 1118 OE1 GLN A 67 9.921 -3.159 5.401 1.00 53.24 O ATOM 1119 NE2 GLN A 67 9.366 -1.735 3.790 1.00 31.30 N ATOM 0 H GLN A 67 7.733 1.286 6.671 1.00 65.01 H new ATOM 0 HA GLN A 67 5.627 -0.677 7.399 1.00 62.20 H new ATOM 0 HB2 GLN A 67 7.253 -2.418 6.769 1.00 65.43 H new ATOM 0 HB3 GLN A 67 6.804 -1.415 5.404 1.00 65.43 H new ATOM 0 HG2 GLN A 67 8.933 -0.117 5.704 1.00 62.33 H new ATOM 0 HG3 GLN A 67 9.385 -1.206 7.001 1.00 62.33 H new ATOM 0 HE21 GLN A 67 8.941 -0.844 3.533 1.00 31.30 H new ATOM 0 HE22 GLN A 67 9.750 -2.344 3.067 1.00 31.30 H new ATOM 1128 N ASP A 68 6.528 -0.944 9.673 1.00 64.33 N ATOM 1129 CA ASP A 68 6.967 -1.029 11.066 1.00 24.44 C ATOM 1130 C ASP A 68 7.897 -2.238 11.277 1.00 44.53 C ATOM 1131 O ASP A 68 7.865 -3.198 10.505 1.00 1.52 O ATOM 1132 CB ASP A 68 5.733 -1.139 11.972 1.00 35.43 C ATOM 1133 CG ASP A 68 6.039 -0.878 13.436 1.00 54.20 C ATOM 1134 OD1 ASP A 68 6.618 -1.764 14.100 1.00 4.21 O ATOM 1135 OD2 ASP A 68 5.697 0.215 13.931 1.00 54.41 O ATOM 0 H ASP A 68 5.574 -1.269 9.518 1.00 64.33 H new ATOM 0 HA ASP A 68 7.530 -0.130 11.319 1.00 24.44 H new ATOM 0 HB2 ASP A 68 4.978 -0.430 11.634 1.00 35.43 H new ATOM 0 HB3 ASP A 68 5.303 -2.135 11.870 1.00 35.43 H new ATOM 1140 N ASN A 69 8.699 -2.198 12.341 1.00 11.31 N ATOM 1141 CA ASN A 69 9.633 -3.288 12.657 1.00 74.25 C ATOM 1142 C ASN A 69 8.887 -4.615 12.907 1.00 43.31 C ATOM 1143 O ASN A 69 9.452 -5.697 12.756 1.00 14.14 O ATOM 1144 CB ASN A 69 10.481 -2.913 13.882 1.00 20.53 C ATOM 1145 CG ASN A 69 11.525 -3.963 14.217 1.00 12.03 C ATOM 1146 OD1 ASN A 69 11.280 -4.878 14.996 1.00 45.13 O ATOM 1147 ND2 ASN A 69 12.698 -3.844 13.626 1.00 0.32 N ATOM 0 H ASN A 69 8.723 -1.422 13.003 1.00 11.31 H new ATOM 0 HA ASN A 69 10.288 -3.433 11.798 1.00 74.25 H new ATOM 0 HB2 ASN A 69 10.977 -1.960 13.697 1.00 20.53 H new ATOM 0 HB3 ASN A 69 9.826 -2.770 14.742 1.00 20.53 H new ATOM 0 HD21 ASN A 69 13.434 -4.525 13.812 1.00 0.32 H new ATOM 0 HD22 ASN A 69 12.869 -3.071 12.983 1.00 0.32 H new ATOM 1154 N THR A 70 7.613 -4.521 13.290 1.00 5.02 N ATOM 1155 CA THR A 70 6.772 -5.716 13.500 1.00 0.12 C ATOM 1156 C THR A 70 6.211 -6.267 12.175 1.00 72.20 C ATOM 1157 O THR A 70 5.435 -7.225 12.164 1.00 25.22 O ATOM 1158 CB THR A 70 5.595 -5.422 14.465 1.00 60.24 C ATOM 1159 OG1 THR A 70 4.877 -6.629 14.751 1.00 51.13 O ATOM 1160 CG2 THR A 70 4.637 -4.391 13.874 1.00 32.52 C ATOM 0 H THR A 70 7.136 -3.636 13.462 1.00 5.02 H new ATOM 0 HA THR A 70 7.422 -6.469 13.946 1.00 0.12 H new ATOM 0 HB THR A 70 6.015 -5.017 15.386 1.00 60.24 H new ATOM 0 HG1 THR A 70 4.839 -7.186 13.945 1.00 51.13 H new ATOM 0 HG21 THR A 70 3.823 -4.207 14.575 1.00 32.52 H new ATOM 0 HG22 THR A 70 5.173 -3.460 13.688 1.00 32.52 H new ATOM 0 HG23 THR A 70 4.230 -4.768 12.936 1.00 32.52 H new ATOM 1168 N GLY A 71 6.605 -5.655 11.059 1.00 14.11 N ATOM 1169 CA GLY A 71 6.128 -6.089 9.749 1.00 63.41 C ATOM 1170 C GLY A 71 4.780 -5.483 9.366 1.00 62.44 C ATOM 1171 O GLY A 71 4.033 -6.057 8.572 1.00 43.13 O ATOM 0 H GLY A 71 7.248 -4.864 11.036 1.00 14.11 H new ATOM 0 HA2 GLY A 71 6.867 -5.821 8.994 1.00 63.41 H new ATOM 0 HA3 GLY A 71 6.045 -7.176 9.742 1.00 63.41 H new ATOM 1175 N ARG A 72 4.465 -4.320 9.931 1.00 55.32 N ATOM 1176 CA ARG A 72 3.196 -3.639 9.644 1.00 21.41 C ATOM 1177 C ARG A 72 3.363 -2.605 8.519 1.00 73.03 C ATOM 1178 O ARG A 72 3.993 -1.565 8.706 1.00 65.23 O ATOM 1179 CB ARG A 72 2.679 -2.949 10.915 1.00 52.02 C ATOM 1180 CG ARG A 72 1.314 -2.283 10.755 1.00 11.55 C ATOM 1181 CD ARG A 72 0.877 -1.595 12.045 1.00 64.55 C ATOM 1182 NE ARG A 72 -0.450 -0.991 11.935 1.00 4.40 N ATOM 1183 CZ ARG A 72 -0.850 0.035 12.638 1.00 71.21 C ATOM 1184 NH1 ARG A 72 -0.042 0.632 13.460 1.00 23.01 N ATOM 1185 NH2 ARG A 72 -2.059 0.475 12.507 1.00 21.02 N ATOM 0 H ARG A 72 5.067 -3.827 10.590 1.00 55.32 H new ATOM 0 HA ARG A 72 2.474 -4.386 9.314 1.00 21.41 H new ATOM 0 HB2 ARG A 72 2.620 -3.686 11.716 1.00 52.02 H new ATOM 0 HB3 ARG A 72 3.403 -2.197 11.227 1.00 52.02 H new ATOM 0 HG2 ARG A 72 1.356 -1.552 9.947 1.00 11.55 H new ATOM 0 HG3 ARG A 72 0.574 -3.031 10.470 1.00 11.55 H new ATOM 0 HD2 ARG A 72 0.876 -2.321 12.858 1.00 64.55 H new ATOM 0 HD3 ARG A 72 1.603 -0.825 12.306 1.00 64.55 H new ATOM 0 HE ARG A 72 -1.105 -1.397 11.267 1.00 4.40 H new ATOM 0 HH11 ARG A 72 0.917 0.301 13.563 1.00 23.01 H new ATOM 0 HH12 ARG A 72 -0.366 1.432 14.003 1.00 23.01 H new ATOM 0 HH21 ARG A 72 -2.699 0.021 11.855 1.00 21.02 H new ATOM 0 HH22 ARG A 72 -2.372 1.276 13.055 1.00 21.02 H new ATOM 1199 N VAL A 73 2.784 -2.890 7.359 1.00 53.14 N ATOM 1200 CA VAL A 73 2.868 -1.987 6.203 1.00 64.21 C ATOM 1201 C VAL A 73 1.642 -1.069 6.136 1.00 42.44 C ATOM 1202 O VAL A 73 0.511 -1.531 6.259 1.00 24.20 O ATOM 1203 CB VAL A 73 2.980 -2.791 4.881 1.00 41.31 C ATOM 1204 CG1 VAL A 73 2.992 -1.859 3.667 1.00 15.41 C ATOM 1205 CG2 VAL A 73 4.220 -3.685 4.900 1.00 62.24 C ATOM 0 H VAL A 73 2.248 -3.741 7.187 1.00 53.14 H new ATOM 0 HA VAL A 73 3.763 -1.378 6.327 1.00 64.21 H new ATOM 0 HB VAL A 73 2.101 -3.430 4.797 1.00 41.31 H new ATOM 0 HG11 VAL A 73 3.071 -2.451 2.755 1.00 15.41 H new ATOM 0 HG12 VAL A 73 2.069 -1.279 3.644 1.00 15.41 H new ATOM 0 HG13 VAL A 73 3.844 -1.183 3.736 1.00 15.41 H new ATOM 0 HG21 VAL A 73 4.282 -4.241 3.965 1.00 62.24 H new ATOM 0 HG22 VAL A 73 5.111 -3.068 5.015 1.00 62.24 H new ATOM 0 HG23 VAL A 73 4.152 -4.384 5.734 1.00 62.24 H new ATOM 1215 N THR A 74 1.864 0.232 5.950 1.00 71.33 N ATOM 1216 CA THR A 74 0.755 1.193 5.867 1.00 60.25 C ATOM 1217 C THR A 74 0.952 2.222 4.746 1.00 43.51 C ATOM 1218 O THR A 74 1.980 2.898 4.677 1.00 11.34 O ATOM 1219 CB THR A 74 0.556 1.952 7.203 1.00 60.11 C ATOM 1220 OG1 THR A 74 0.252 1.029 8.264 1.00 71.40 O ATOM 1221 CG2 THR A 74 -0.568 2.980 7.087 1.00 43.01 C ATOM 0 H THR A 74 2.791 0.646 5.854 1.00 71.33 H new ATOM 0 HA THR A 74 -0.131 0.598 5.646 1.00 60.25 H new ATOM 0 HB THR A 74 1.486 2.473 7.431 1.00 60.11 H new ATOM 0 HG1 THR A 74 0.131 1.522 9.102 1.00 71.40 H new ATOM 0 HG21 THR A 74 -0.687 3.498 8.038 1.00 43.01 H new ATOM 0 HG22 THR A 74 -0.322 3.702 6.309 1.00 43.01 H new ATOM 0 HG23 THR A 74 -1.499 2.474 6.831 1.00 43.01 H new ATOM 1229 N LEU A 75 -0.046 2.327 3.872 1.00 51.32 N ATOM 1230 CA LEU A 75 -0.087 3.358 2.832 1.00 30.01 C ATOM 1231 C LEU A 75 -0.992 4.526 3.263 1.00 3.40 C ATOM 1232 O LEU A 75 -2.149 4.319 3.635 1.00 54.43 O ATOM 1233 CB LEU A 75 -0.608 2.752 1.521 1.00 71.22 C ATOM 1234 CG LEU A 75 -0.752 3.739 0.347 1.00 3.13 C ATOM 1235 CD1 LEU A 75 0.609 4.293 -0.065 1.00 30.44 C ATOM 1236 CD2 LEU A 75 -1.446 3.074 -0.839 1.00 22.55 C ATOM 0 H LEU A 75 -0.851 1.700 3.863 1.00 51.32 H new ATOM 0 HA LEU A 75 0.923 3.739 2.679 1.00 30.01 H new ATOM 0 HB2 LEU A 75 0.065 1.950 1.219 1.00 71.22 H new ATOM 0 HB3 LEU A 75 -1.580 2.297 1.712 1.00 71.22 H new ATOM 0 HG LEU A 75 -1.372 4.572 0.680 1.00 3.13 H new ATOM 0 HD11 LEU A 75 0.483 4.988 -0.895 1.00 30.44 H new ATOM 0 HD12 LEU A 75 1.060 4.815 0.779 1.00 30.44 H new ATOM 0 HD13 LEU A 75 1.257 3.473 -0.373 1.00 30.44 H new ATOM 0 HD21 LEU A 75 -1.537 3.790 -1.656 1.00 22.55 H new ATOM 0 HD22 LEU A 75 -0.859 2.218 -1.171 1.00 22.55 H new ATOM 0 HD23 LEU A 75 -2.439 2.739 -0.539 1.00 22.55 H new ATOM 1248 N LEU A 76 -0.460 5.745 3.214 1.00 13.42 N ATOM 1249 CA LEU A 76 -1.213 6.953 3.585 1.00 15.52 C ATOM 1250 C LEU A 76 -1.470 7.841 2.358 1.00 32.41 C ATOM 1251 O LEU A 76 -0.532 8.276 1.688 1.00 35.01 O ATOM 1252 CB LEU A 76 -0.440 7.753 4.648 1.00 25.12 C ATOM 1253 CG LEU A 76 -0.172 7.013 5.970 1.00 24.25 C ATOM 1254 CD1 LEU A 76 0.676 7.870 6.908 1.00 2.14 C ATOM 1255 CD2 LEU A 76 -1.483 6.608 6.642 1.00 23.40 C ATOM 0 H LEU A 76 0.499 5.929 2.919 1.00 13.42 H new ATOM 0 HA LEU A 76 -2.174 6.639 3.993 1.00 15.52 H new ATOM 0 HB2 LEU A 76 0.516 8.059 4.223 1.00 25.12 H new ATOM 0 HB3 LEU A 76 -0.997 8.664 4.868 1.00 25.12 H new ATOM 0 HG LEU A 76 0.386 6.105 5.742 1.00 24.25 H new ATOM 0 HD11 LEU A 76 0.853 7.327 7.836 1.00 2.14 H new ATOM 0 HD12 LEU A 76 1.630 8.096 6.432 1.00 2.14 H new ATOM 0 HD13 LEU A 76 0.151 8.800 7.126 1.00 2.14 H new ATOM 0 HD21 LEU A 76 -1.268 6.086 7.575 1.00 23.40 H new ATOM 0 HD22 LEU A 76 -2.074 7.499 6.853 1.00 23.40 H new ATOM 0 HD23 LEU A 76 -2.043 5.949 5.979 1.00 23.40 H new ATOM 1267 N ILE A 77 -2.743 8.109 2.069 1.00 42.30 N ATOM 1268 CA ILE A 77 -3.123 8.937 0.916 1.00 72.34 C ATOM 1269 C ILE A 77 -3.979 10.142 1.344 1.00 34.34 C ATOM 1270 O ILE A 77 -5.088 9.978 1.850 1.00 13.33 O ATOM 1271 CB ILE A 77 -3.894 8.102 -0.140 1.00 14.34 C ATOM 1272 CG1 ILE A 77 -3.019 6.939 -0.644 1.00 70.31 C ATOM 1273 CG2 ILE A 77 -4.350 8.983 -1.304 1.00 2.00 C ATOM 1274 CD1 ILE A 77 -3.703 6.045 -1.659 1.00 41.01 C ATOM 0 H ILE A 77 -3.533 7.766 2.616 1.00 42.30 H new ATOM 0 HA ILE A 77 -2.199 9.307 0.472 1.00 72.34 H new ATOM 0 HB ILE A 77 -4.783 7.685 0.333 1.00 14.34 H new ATOM 0 HG12 ILE A 77 -2.111 7.347 -1.089 1.00 70.31 H new ATOM 0 HG13 ILE A 77 -2.712 6.334 0.209 1.00 70.31 H new ATOM 0 HG21 ILE A 77 -4.888 8.375 -2.031 1.00 2.00 H new ATOM 0 HG22 ILE A 77 -5.007 9.768 -0.930 1.00 2.00 H new ATOM 0 HG23 ILE A 77 -3.480 9.434 -1.781 1.00 2.00 H new ATOM 0 HD11 ILE A 77 -3.020 5.251 -1.963 1.00 41.01 H new ATOM 0 HD12 ILE A 77 -4.595 5.605 -1.214 1.00 41.01 H new ATOM 0 HD13 ILE A 77 -3.986 6.635 -2.531 1.00 41.01 H new ATOM 1286 N LYS A 78 -3.446 11.348 1.144 1.00 72.54 N ATOM 1287 CA LYS A 78 -4.128 12.596 1.526 1.00 41.13 C ATOM 1288 C LYS A 78 -4.526 13.422 0.289 1.00 73.52 C ATOM 1289 O LYS A 78 -3.918 13.285 -0.779 1.00 52.04 O ATOM 1290 CB LYS A 78 -3.208 13.445 2.414 1.00 71.12 C ATOM 1291 CG LYS A 78 -2.584 12.687 3.580 1.00 3.04 C ATOM 1292 CD LYS A 78 -1.527 13.530 4.292 1.00 21.34 C ATOM 1293 CE LYS A 78 -0.715 12.711 5.289 1.00 23.20 C ATOM 1294 NZ LYS A 78 0.417 13.494 5.857 1.00 43.05 N ATOM 0 H LYS A 78 -2.532 11.493 0.714 1.00 72.54 H new ATOM 0 HA LYS A 78 -5.032 12.324 2.071 1.00 41.13 H new ATOM 0 HB2 LYS A 78 -2.410 13.860 1.798 1.00 71.12 H new ATOM 0 HB3 LYS A 78 -3.778 14.287 2.807 1.00 71.12 H new ATOM 0 HG2 LYS A 78 -3.362 12.402 4.288 1.00 3.04 H new ATOM 0 HG3 LYS A 78 -2.131 11.765 3.216 1.00 3.04 H new ATOM 0 HD2 LYS A 78 -0.857 13.969 3.553 1.00 21.34 H new ATOM 0 HD3 LYS A 78 -2.013 14.356 4.812 1.00 21.34 H new ATOM 0 HE2 LYS A 78 -1.365 12.374 6.097 1.00 23.20 H new ATOM 0 HE3 LYS A 78 -0.329 11.819 4.797 1.00 23.20 H new ATOM 0 HZ1 LYS A 78 0.985 12.883 6.478 1.00 43.05 H new ATOM 0 HZ2 LYS A 78 1.014 13.852 5.084 1.00 43.05 H new ATOM 0 HZ3 LYS A 78 0.044 14.295 6.406 1.00 43.05 H new ATOM 1308 N ASP A 79 -5.536 14.287 0.446 1.00 14.42 N ATOM 1309 CA ASP A 79 -5.976 15.196 -0.628 1.00 73.13 C ATOM 1310 C ASP A 79 -6.351 14.407 -1.900 1.00 62.01 C ATOM 1311 O ASP A 79 -6.218 14.889 -3.028 1.00 63.25 O ATOM 1312 CB ASP A 79 -4.865 16.225 -0.918 1.00 71.20 C ATOM 1313 CG ASP A 79 -5.342 17.407 -1.753 1.00 62.13 C ATOM 1314 OD1 ASP A 79 -6.049 18.280 -1.202 1.00 11.43 O ATOM 1315 OD2 ASP A 79 -4.990 17.489 -2.947 1.00 51.35 O ATOM 0 H ASP A 79 -6.069 14.379 1.311 1.00 14.42 H new ATOM 0 HA ASP A 79 -6.870 15.727 -0.301 1.00 73.13 H new ATOM 0 HB2 ASP A 79 -4.465 16.594 0.027 1.00 71.20 H new ATOM 0 HB3 ASP A 79 -4.046 15.728 -1.438 1.00 71.20 H new ATOM 1320 N VAL A 80 -6.845 13.190 -1.697 1.00 74.13 N ATOM 1321 CA VAL A 80 -7.184 12.294 -2.800 1.00 75.25 C ATOM 1322 C VAL A 80 -8.430 12.789 -3.561 1.00 2.43 C ATOM 1323 O VAL A 80 -9.403 13.239 -2.956 1.00 65.15 O ATOM 1324 CB VAL A 80 -7.420 10.848 -2.281 1.00 75.54 C ATOM 1325 CG1 VAL A 80 -8.734 10.738 -1.521 1.00 31.55 C ATOM 1326 CG2 VAL A 80 -7.372 9.836 -3.415 1.00 65.31 C ATOM 0 H VAL A 80 -7.021 12.798 -0.772 1.00 74.13 H new ATOM 0 HA VAL A 80 -6.340 12.289 -3.490 1.00 75.25 H new ATOM 0 HB VAL A 80 -6.609 10.619 -1.589 1.00 75.54 H new ATOM 0 HG11 VAL A 80 -8.868 9.714 -1.172 1.00 31.55 H new ATOM 0 HG12 VAL A 80 -8.717 11.414 -0.666 1.00 31.55 H new ATOM 0 HG13 VAL A 80 -9.559 11.007 -2.180 1.00 31.55 H new ATOM 0 HG21 VAL A 80 -7.541 8.835 -3.017 1.00 65.31 H new ATOM 0 HG22 VAL A 80 -8.146 10.071 -4.146 1.00 65.31 H new ATOM 0 HG23 VAL A 80 -6.395 9.875 -3.896 1.00 65.31 H new ATOM 1336 N ASN A 81 -8.378 12.739 -4.888 1.00 14.12 N ATOM 1337 CA ASN A 81 -9.533 13.100 -5.728 1.00 75.13 C ATOM 1338 C ASN A 81 -9.914 11.946 -6.671 1.00 44.01 C ATOM 1339 O ASN A 81 -9.265 10.904 -6.665 1.00 54.31 O ATOM 1340 CB ASN A 81 -9.244 14.392 -6.514 1.00 64.31 C ATOM 1341 CG ASN A 81 -7.856 14.439 -7.138 1.00 73.54 C ATOM 1342 OD1 ASN A 81 -7.336 13.310 -7.576 1.00 13.01 O flip ATOM 1343 ND2 ASN A 81 -7.255 15.501 -7.241 1.00 10.34 N flip ATOM 0 H ASN A 81 -7.551 12.453 -5.413 1.00 14.12 H new ATOM 0 HA ASN A 81 -10.387 13.284 -5.076 1.00 75.13 H new ATOM 0 HB2 ASN A 81 -9.989 14.500 -7.302 1.00 64.31 H new ATOM 0 HB3 ASN A 81 -9.360 15.245 -5.846 1.00 64.31 H new ATOM 0 HD21 ASN A 81 -7.678 16.362 -6.895 1.00 10.34 H new ATOM 0 HD22 ASN A 81 -6.331 15.524 -7.673 1.00 10.34 H new ATOM 1350 N LYS A 82 -10.957 12.136 -7.487 1.00 15.24 N ATOM 1351 CA LYS A 82 -11.428 11.088 -8.415 1.00 3.44 C ATOM 1352 C LYS A 82 -10.272 10.489 -9.242 1.00 32.23 C ATOM 1353 O LYS A 82 -10.246 9.289 -9.514 1.00 44.53 O ATOM 1354 CB LYS A 82 -12.491 11.651 -9.369 1.00 53.30 C ATOM 1355 CG LYS A 82 -13.794 12.079 -8.696 1.00 25.12 C ATOM 1356 CD LYS A 82 -14.572 10.897 -8.121 1.00 70.32 C ATOM 1357 CE LYS A 82 -16.036 11.254 -7.884 1.00 24.34 C ATOM 1358 NZ LYS A 82 -16.751 11.565 -9.154 1.00 4.10 N ATOM 0 H LYS A 82 -11.494 13.002 -7.528 1.00 15.24 H new ATOM 0 HA LYS A 82 -11.861 10.295 -7.805 1.00 3.44 H new ATOM 0 HB2 LYS A 82 -12.070 12.509 -9.893 1.00 53.30 H new ATOM 0 HB3 LYS A 82 -12.718 10.897 -10.123 1.00 53.30 H new ATOM 0 HG2 LYS A 82 -13.571 12.786 -7.897 1.00 25.12 H new ATOM 0 HG3 LYS A 82 -14.418 12.603 -9.420 1.00 25.12 H new ATOM 0 HD2 LYS A 82 -14.509 10.051 -8.805 1.00 70.32 H new ATOM 0 HD3 LYS A 82 -14.116 10.582 -7.182 1.00 70.32 H new ATOM 0 HE2 LYS A 82 -16.534 10.424 -7.382 1.00 24.34 H new ATOM 0 HE3 LYS A 82 -16.095 12.113 -7.216 1.00 24.34 H new ATOM 0 HZ1 LYS A 82 -17.768 11.387 -9.032 1.00 4.10 H new ATOM 0 HZ2 LYS A 82 -16.601 12.564 -9.401 1.00 4.10 H new ATOM 0 HZ3 LYS A 82 -16.383 10.961 -9.916 1.00 4.10 H new ATOM 1372 N LYS A 83 -9.319 11.341 -9.628 1.00 64.44 N ATOM 1373 CA LYS A 83 -8.147 10.920 -10.416 1.00 12.32 C ATOM 1374 C LYS A 83 -7.332 9.813 -9.722 1.00 52.31 C ATOM 1375 O LYS A 83 -6.689 8.997 -10.386 1.00 61.32 O ATOM 1376 CB LYS A 83 -7.233 12.128 -10.684 1.00 40.50 C ATOM 1377 CG LYS A 83 -7.912 13.258 -11.453 1.00 15.52 C ATOM 1378 CD LYS A 83 -8.251 12.865 -12.892 1.00 72.11 C ATOM 1379 CE LYS A 83 -7.033 12.920 -13.818 1.00 71.45 C ATOM 1380 NZ LYS A 83 -6.008 11.891 -13.493 1.00 2.25 N ATOM 0 H LYS A 83 -9.333 12.337 -9.407 1.00 64.44 H new ATOM 0 HA LYS A 83 -8.526 10.513 -11.353 1.00 12.32 H new ATOM 0 HB2 LYS A 83 -6.871 12.516 -9.732 1.00 40.50 H new ATOM 0 HB3 LYS A 83 -6.360 11.794 -11.244 1.00 40.50 H new ATOM 0 HG2 LYS A 83 -8.825 13.549 -10.934 1.00 15.52 H new ATOM 0 HG3 LYS A 83 -7.259 14.131 -11.462 1.00 15.52 H new ATOM 0 HD2 LYS A 83 -8.665 11.857 -12.902 1.00 72.11 H new ATOM 0 HD3 LYS A 83 -9.024 13.531 -13.274 1.00 72.11 H new ATOM 0 HE2 LYS A 83 -7.361 12.785 -14.849 1.00 71.45 H new ATOM 0 HE3 LYS A 83 -6.580 13.909 -13.754 1.00 71.45 H new ATOM 0 HZ1 LYS A 83 -5.584 11.533 -14.373 1.00 2.25 H new ATOM 0 HZ2 LYS A 83 -5.267 12.315 -12.899 1.00 2.25 H new ATOM 0 HZ3 LYS A 83 -6.456 11.105 -12.980 1.00 2.25 H new ATOM 1394 N ASP A 84 -7.363 9.790 -8.391 1.00 42.32 N ATOM 1395 CA ASP A 84 -6.535 8.864 -7.607 1.00 24.42 C ATOM 1396 C ASP A 84 -7.293 7.591 -7.200 1.00 1.23 C ATOM 1397 O ASP A 84 -6.729 6.719 -6.533 1.00 12.32 O ATOM 1398 CB ASP A 84 -5.995 9.561 -6.358 1.00 60.45 C ATOM 1399 CG ASP A 84 -5.195 10.803 -6.691 1.00 23.02 C ATOM 1400 OD1 ASP A 84 -4.212 10.698 -7.460 1.00 43.05 O ATOM 1401 OD2 ASP A 84 -5.552 11.894 -6.200 1.00 73.02 O ATOM 0 H ASP A 84 -7.953 10.402 -7.828 1.00 42.32 H new ATOM 0 HA ASP A 84 -5.709 8.561 -8.250 1.00 24.42 H new ATOM 0 HB2 ASP A 84 -6.827 9.831 -5.708 1.00 60.45 H new ATOM 0 HB3 ASP A 84 -5.367 8.866 -5.800 1.00 60.45 H new ATOM 1406 N ALA A 85 -8.563 7.475 -7.580 1.00 2.21 N ATOM 1407 CA ALA A 85 -9.305 6.244 -7.296 1.00 23.11 C ATOM 1408 C ALA A 85 -8.985 5.179 -8.350 1.00 21.11 C ATOM 1409 O ALA A 85 -8.863 5.478 -9.542 1.00 21.01 O ATOM 1410 CB ALA A 85 -10.805 6.528 -7.259 1.00 31.34 C ATOM 0 H ALA A 85 -9.091 8.196 -8.072 1.00 2.21 H new ATOM 0 HA ALA A 85 -9.001 5.867 -6.320 1.00 23.11 H new ATOM 0 HB1 ALA A 85 -11.345 5.605 -7.047 1.00 31.34 H new ATOM 0 HB2 ALA A 85 -11.018 7.260 -6.480 1.00 31.34 H new ATOM 0 HB3 ALA A 85 -11.125 6.922 -8.224 1.00 31.34 H new ATOM 1416 N GLY A 86 -8.840 3.934 -7.911 1.00 34.43 N ATOM 1417 CA GLY A 86 -8.508 2.866 -8.836 1.00 13.02 C ATOM 1418 C GLY A 86 -8.263 1.524 -8.162 1.00 41.03 C ATOM 1419 O GLY A 86 -8.470 1.362 -6.955 1.00 23.15 O ATOM 0 H GLY A 86 -8.945 3.646 -6.938 1.00 34.43 H new ATOM 0 HA2 GLY A 86 -9.318 2.757 -9.557 1.00 13.02 H new ATOM 0 HA3 GLY A 86 -7.617 3.148 -9.398 1.00 13.02 H new ATOM 1423 N TRP A 87 -7.802 0.563 -8.955 1.00 12.30 N ATOM 1424 CA TRP A 87 -7.289 -0.701 -8.425 1.00 61.40 C ATOM 1425 C TRP A 87 -5.770 -0.618 -8.197 1.00 23.40 C ATOM 1426 O TRP A 87 -4.996 -0.418 -9.136 1.00 1.32 O ATOM 1427 CB TRP A 87 -7.621 -1.868 -9.366 1.00 3.42 C ATOM 1428 CG TRP A 87 -9.016 -2.392 -9.189 1.00 61.12 C ATOM 1429 CD1 TRP A 87 -10.129 -2.044 -9.896 1.00 30.53 C ATOM 1430 CD2 TRP A 87 -9.437 -3.366 -8.229 1.00 32.11 C ATOM 1431 NE1 TRP A 87 -11.218 -2.741 -9.432 1.00 50.12 N ATOM 1432 CE2 TRP A 87 -10.818 -3.562 -8.407 1.00 61.04 C ATOM 1433 CE3 TRP A 87 -8.775 -4.092 -7.236 1.00 72.13 C ATOM 1434 CZ2 TRP A 87 -11.549 -4.457 -7.627 1.00 40.53 C ATOM 1435 CZ3 TRP A 87 -9.499 -4.977 -6.463 1.00 71.13 C ATOM 1436 CH2 TRP A 87 -10.874 -5.154 -6.660 1.00 22.15 C ATOM 0 H TRP A 87 -7.772 0.633 -9.972 1.00 12.30 H new ATOM 0 HA TRP A 87 -7.776 -0.884 -7.467 1.00 61.40 H new ATOM 0 HB2 TRP A 87 -7.490 -1.542 -10.398 1.00 3.42 H new ATOM 0 HB3 TRP A 87 -6.911 -2.677 -9.195 1.00 3.42 H new ATOM 0 HD1 TRP A 87 -10.151 -1.326 -10.702 1.00 30.53 H new ATOM 0 HE1 TRP A 87 -12.169 -2.661 -9.791 1.00 50.12 H new ATOM 0 HE3 TRP A 87 -7.715 -3.963 -7.076 1.00 72.13 H new ATOM 0 HZ2 TRP A 87 -12.609 -4.596 -7.780 1.00 40.53 H new ATOM 0 HZ3 TRP A 87 -8.996 -5.543 -5.693 1.00 71.13 H new ATOM 0 HH2 TRP A 87 -11.413 -5.853 -6.038 1.00 22.15 H new ATOM 1447 N TYR A 88 -5.362 -0.760 -6.941 1.00 5.34 N ATOM 1448 CA TYR A 88 -3.947 -0.721 -6.554 1.00 14.24 C ATOM 1449 C TYR A 88 -3.343 -2.132 -6.479 1.00 3.41 C ATOM 1450 O TYR A 88 -4.034 -3.114 -6.191 1.00 51.23 O ATOM 1451 CB TYR A 88 -3.785 -0.019 -5.193 1.00 53.14 C ATOM 1452 CG TYR A 88 -3.968 1.491 -5.242 1.00 74.23 C ATOM 1453 CD1 TYR A 88 -5.220 2.063 -5.470 1.00 32.03 C ATOM 1454 CD2 TYR A 88 -2.885 2.345 -5.056 1.00 71.45 C ATOM 1455 CE1 TYR A 88 -5.379 3.437 -5.514 1.00 64.21 C ATOM 1456 CE2 TYR A 88 -3.038 3.717 -5.096 1.00 34.44 C ATOM 1457 CZ TYR A 88 -4.285 4.259 -5.326 1.00 13.42 C ATOM 1458 OH TYR A 88 -4.435 5.629 -5.375 1.00 2.52 O ATOM 0 H TYR A 88 -5.999 -0.906 -6.158 1.00 5.34 H new ATOM 0 HA TYR A 88 -3.413 -0.160 -7.321 1.00 14.24 H new ATOM 0 HB2 TYR A 88 -4.507 -0.438 -4.493 1.00 53.14 H new ATOM 0 HB3 TYR A 88 -2.793 -0.241 -4.799 1.00 53.14 H new ATOM 0 HD1 TYR A 88 -6.078 1.424 -5.614 1.00 32.03 H new ATOM 0 HD2 TYR A 88 -1.906 1.927 -4.877 1.00 71.45 H new ATOM 0 HE1 TYR A 88 -6.354 3.865 -5.695 1.00 64.21 H new ATOM 0 HE2 TYR A 88 -2.185 4.362 -4.948 1.00 34.44 H new ATOM 0 HH TYR A 88 -5.299 5.849 -5.781 1.00 2.52 H new ATOM 1468 N THR A 89 -2.045 -2.220 -6.741 1.00 55.01 N ATOM 1469 CA THR A 89 -1.310 -3.489 -6.668 1.00 24.02 C ATOM 1470 C THR A 89 -0.105 -3.361 -5.728 1.00 41.23 C ATOM 1471 O THR A 89 0.808 -2.577 -5.994 1.00 74.43 O ATOM 1472 CB THR A 89 -0.806 -3.932 -8.066 1.00 4.22 C ATOM 1473 OG1 THR A 89 -1.895 -3.955 -9.007 1.00 14.02 O ATOM 1474 CG2 THR A 89 -0.158 -5.313 -8.004 1.00 25.22 C ATOM 0 H THR A 89 -1.469 -1.422 -7.009 1.00 55.01 H new ATOM 0 HA THR A 89 -2.001 -4.239 -6.285 1.00 24.02 H new ATOM 0 HB THR A 89 -0.058 -3.210 -8.394 1.00 4.22 H new ATOM 0 HG1 THR A 89 -2.587 -4.573 -8.691 1.00 14.02 H new ATOM 0 HG21 THR A 89 0.186 -5.598 -8.998 1.00 25.22 H new ATOM 0 HG22 THR A 89 0.690 -5.286 -7.320 1.00 25.22 H new ATOM 0 HG23 THR A 89 -0.887 -6.041 -7.650 1.00 25.22 H new ATOM 1482 N VAL A 90 -0.106 -4.118 -4.629 1.00 64.14 N ATOM 1483 CA VAL A 90 1.007 -4.084 -3.671 1.00 41.10 C ATOM 1484 C VAL A 90 1.920 -5.314 -3.818 1.00 34.52 C ATOM 1485 O VAL A 90 1.498 -6.455 -3.612 1.00 60.30 O ATOM 1486 CB VAL A 90 0.515 -3.960 -2.201 1.00 52.23 C ATOM 1487 CG1 VAL A 90 -0.457 -5.079 -1.835 1.00 11.25 C ATOM 1488 CG2 VAL A 90 1.702 -3.928 -1.232 1.00 64.42 C ATOM 0 H VAL A 90 -0.859 -4.759 -4.379 1.00 64.14 H new ATOM 0 HA VAL A 90 1.585 -3.191 -3.909 1.00 41.10 H new ATOM 0 HB VAL A 90 -0.026 -3.018 -2.114 1.00 52.23 H new ATOM 0 HG11 VAL A 90 -0.778 -4.958 -0.800 1.00 11.25 H new ATOM 0 HG12 VAL A 90 -1.326 -5.036 -2.492 1.00 11.25 H new ATOM 0 HG13 VAL A 90 0.038 -6.043 -1.951 1.00 11.25 H new ATOM 0 HG21 VAL A 90 1.335 -3.841 -0.209 1.00 64.42 H new ATOM 0 HG22 VAL A 90 2.279 -4.847 -1.333 1.00 64.42 H new ATOM 0 HG23 VAL A 90 2.338 -3.073 -1.463 1.00 64.42 H new ATOM 1498 N SER A 91 3.171 -5.068 -4.193 1.00 72.53 N ATOM 1499 CA SER A 91 4.166 -6.138 -4.355 1.00 32.40 C ATOM 1500 C SER A 91 5.260 -6.047 -3.286 1.00 61.33 C ATOM 1501 O SER A 91 5.876 -4.996 -3.104 1.00 65.53 O ATOM 1502 CB SER A 91 4.806 -6.074 -5.752 1.00 60.43 C ATOM 1503 OG SER A 91 3.846 -6.302 -6.775 1.00 51.34 O ATOM 0 H SER A 91 3.528 -4.133 -4.393 1.00 72.53 H new ATOM 0 HA SER A 91 3.646 -7.089 -4.240 1.00 32.40 H new ATOM 0 HB2 SER A 91 5.269 -5.098 -5.897 1.00 60.43 H new ATOM 0 HB3 SER A 91 5.600 -6.817 -5.824 1.00 60.43 H new ATOM 0 HG SER A 91 4.283 -6.253 -7.651 1.00 51.34 H new ATOM 1509 N ALA A 92 5.492 -7.149 -2.574 1.00 24.13 N ATOM 1510 CA ALA A 92 6.557 -7.217 -1.568 1.00 30.52 C ATOM 1511 C ALA A 92 7.643 -8.219 -1.986 1.00 41.41 C ATOM 1512 O ALA A 92 7.394 -9.426 -2.064 1.00 21.33 O ATOM 1513 CB ALA A 92 5.973 -7.596 -0.209 1.00 72.32 C ATOM 0 H ALA A 92 4.956 -8.011 -2.674 1.00 24.13 H new ATOM 0 HA ALA A 92 7.019 -6.233 -1.490 1.00 30.52 H new ATOM 0 HB1 ALA A 92 6.773 -7.644 0.530 1.00 72.32 H new ATOM 0 HB2 ALA A 92 5.242 -6.847 0.095 1.00 72.32 H new ATOM 0 HB3 ALA A 92 5.487 -8.569 -0.280 1.00 72.32 H new ATOM 1519 N VAL A 93 8.851 -7.724 -2.248 1.00 41.44 N ATOM 1520 CA VAL A 93 9.946 -8.583 -2.719 1.00 24.34 C ATOM 1521 C VAL A 93 11.141 -8.602 -1.746 1.00 12.23 C ATOM 1522 O VAL A 93 11.755 -7.575 -1.453 1.00 1.11 O ATOM 1523 CB VAL A 93 10.421 -8.164 -4.138 1.00 23.44 C ATOM 1524 CG1 VAL A 93 10.935 -6.728 -4.152 1.00 33.23 C ATOM 1525 CG2 VAL A 93 11.484 -9.130 -4.664 1.00 61.03 C ATOM 0 H VAL A 93 9.100 -6.740 -2.144 1.00 41.44 H new ATOM 0 HA VAL A 93 9.543 -9.595 -2.766 1.00 24.34 H new ATOM 0 HB VAL A 93 9.559 -8.212 -4.803 1.00 23.44 H new ATOM 0 HG11 VAL A 93 11.259 -6.467 -5.160 1.00 33.23 H new ATOM 0 HG12 VAL A 93 10.137 -6.053 -3.841 1.00 33.23 H new ATOM 0 HG13 VAL A 93 11.776 -6.636 -3.465 1.00 33.23 H new ATOM 0 HG21 VAL A 93 11.801 -8.816 -5.659 1.00 61.03 H new ATOM 0 HG22 VAL A 93 12.342 -9.128 -3.992 1.00 61.03 H new ATOM 0 HG23 VAL A 93 11.067 -10.136 -4.717 1.00 61.03 H new ATOM 1535 N ASN A 94 11.435 -9.787 -1.229 1.00 74.01 N ATOM 1536 CA ASN A 94 12.583 -10.010 -0.345 1.00 2.11 C ATOM 1537 C ASN A 94 13.645 -10.883 -1.045 1.00 34.44 C ATOM 1538 O ASN A 94 13.337 -11.600 -2.000 1.00 72.22 O ATOM 1539 CB ASN A 94 12.097 -10.665 0.959 1.00 74.25 C ATOM 1540 CG ASN A 94 13.220 -11.084 1.889 1.00 63.35 C ATOM 1541 OD1 ASN A 94 13.653 -12.222 1.883 1.00 4.22 O ATOM 1542 ND2 ASN A 94 13.711 -10.166 2.678 1.00 62.42 N ATOM 0 H ASN A 94 10.885 -10.627 -1.408 1.00 74.01 H new ATOM 0 HA ASN A 94 13.050 -9.054 -0.107 1.00 2.11 H new ATOM 0 HB2 ASN A 94 11.444 -9.967 1.484 1.00 74.25 H new ATOM 0 HB3 ASN A 94 11.496 -11.540 0.713 1.00 74.25 H new ATOM 0 HD21 ASN A 94 14.478 -10.394 3.311 1.00 62.42 H new ATOM 0 HD22 ASN A 94 13.328 -9.221 2.661 1.00 62.42 H new ATOM 1549 N GLU A 95 14.887 -10.819 -0.574 1.00 34.43 N ATOM 1550 CA GLU A 95 15.983 -11.627 -1.140 1.00 34.40 C ATOM 1551 C GLU A 95 15.671 -13.139 -1.102 1.00 24.01 C ATOM 1552 O GLU A 95 16.160 -13.913 -1.926 1.00 24.12 O ATOM 1553 CB GLU A 95 17.285 -11.335 -0.381 1.00 20.41 C ATOM 1554 CG GLU A 95 17.187 -11.562 1.126 1.00 0.54 C ATOM 1555 CD GLU A 95 18.478 -11.225 1.856 1.00 25.24 C ATOM 1556 OE1 GLU A 95 18.673 -10.044 2.215 1.00 35.42 O ATOM 1557 OE2 GLU A 95 19.307 -12.136 2.058 1.00 23.30 O ATOM 0 H GLU A 95 15.168 -10.217 0.200 1.00 34.43 H new ATOM 0 HA GLU A 95 16.096 -11.347 -2.188 1.00 34.40 H new ATOM 0 HB2 GLU A 95 18.078 -11.966 -0.783 1.00 20.41 H new ATOM 0 HB3 GLU A 95 17.577 -10.301 -0.565 1.00 20.41 H new ATOM 0 HG2 GLU A 95 16.377 -10.954 1.529 1.00 0.54 H new ATOM 0 HG3 GLU A 95 16.928 -12.604 1.316 1.00 0.54 H new ATOM 1564 N ALA A 96 14.896 -13.551 -0.107 1.00 45.21 N ATOM 1565 CA ALA A 96 14.432 -14.936 0.018 1.00 55.43 C ATOM 1566 C ALA A 96 13.337 -15.296 -1.010 1.00 54.40 C ATOM 1567 O ALA A 96 13.334 -16.398 -1.558 1.00 0.55 O ATOM 1568 CB ALA A 96 13.930 -15.182 1.434 1.00 14.42 C ATOM 0 H ALA A 96 14.568 -12.938 0.639 1.00 45.21 H new ATOM 0 HA ALA A 96 15.283 -15.584 -0.193 1.00 55.43 H new ATOM 0 HB1 ALA A 96 13.586 -16.212 1.524 1.00 14.42 H new ATOM 0 HB2 ALA A 96 14.739 -15.007 2.143 1.00 14.42 H new ATOM 0 HB3 ALA A 96 13.105 -14.503 1.651 1.00 14.42 H new ATOM 1574 N GLY A 97 12.414 -14.362 -1.258 1.00 4.13 N ATOM 1575 CA GLY A 97 11.287 -14.627 -2.156 1.00 23.03 C ATOM 1576 C GLY A 97 10.355 -13.421 -2.330 1.00 60.41 C ATOM 1577 O GLY A 97 10.596 -12.358 -1.761 1.00 14.42 O ATOM 0 H GLY A 97 12.424 -13.425 -0.854 1.00 4.13 H new ATOM 0 HA2 GLY A 97 11.671 -14.925 -3.132 1.00 23.03 H new ATOM 0 HA3 GLY A 97 10.713 -15.469 -1.769 1.00 23.03 H new ATOM 1581 N VAL A 98 9.276 -13.584 -3.105 1.00 22.52 N ATOM 1582 CA VAL A 98 8.359 -12.464 -3.414 1.00 52.14 C ATOM 1583 C VAL A 98 6.866 -12.867 -3.353 1.00 42.54 C ATOM 1584 O VAL A 98 6.495 -13.996 -3.685 1.00 14.14 O ATOM 1585 CB VAL A 98 8.676 -11.869 -4.817 1.00 44.23 C ATOM 1586 CG1 VAL A 98 8.571 -12.939 -5.903 1.00 31.34 C ATOM 1587 CG2 VAL A 98 7.770 -10.677 -5.135 1.00 73.41 C ATOM 0 H VAL A 98 9.012 -14.472 -3.531 1.00 22.52 H new ATOM 0 HA VAL A 98 8.526 -11.713 -2.642 1.00 52.14 H new ATOM 0 HB VAL A 98 9.704 -11.508 -4.797 1.00 44.23 H new ATOM 0 HG11 VAL A 98 8.797 -12.496 -6.873 1.00 31.34 H new ATOM 0 HG12 VAL A 98 9.281 -13.740 -5.695 1.00 31.34 H new ATOM 0 HG13 VAL A 98 7.560 -13.345 -5.917 1.00 31.34 H new ATOM 0 HG21 VAL A 98 8.017 -10.285 -6.122 1.00 73.41 H new ATOM 0 HG22 VAL A 98 6.728 -10.998 -5.123 1.00 73.41 H new ATOM 0 HG23 VAL A 98 7.918 -9.898 -4.387 1.00 73.41 H new ATOM 1597 N THR A 99 6.019 -11.930 -2.906 1.00 31.33 N ATOM 1598 CA THR A 99 4.557 -12.126 -2.867 1.00 42.13 C ATOM 1599 C THR A 99 3.811 -10.824 -3.211 1.00 3.24 C ATOM 1600 O THR A 99 4.252 -9.733 -2.845 1.00 44.31 O ATOM 1601 CB THR A 99 4.076 -12.639 -1.488 1.00 72.21 C ATOM 1602 OG1 THR A 99 2.653 -12.833 -1.500 1.00 62.32 O ATOM 1603 CG2 THR A 99 4.454 -11.670 -0.371 1.00 12.43 C ATOM 0 H THR A 99 6.322 -11.019 -2.562 1.00 31.33 H new ATOM 0 HA THR A 99 4.328 -12.883 -3.617 1.00 42.13 H new ATOM 0 HB THR A 99 4.571 -13.591 -1.296 1.00 72.21 H new ATOM 0 HG1 THR A 99 2.208 -12.009 -1.212 1.00 62.32 H new ATOM 0 HG21 THR A 99 4.102 -12.060 0.584 1.00 12.43 H new ATOM 0 HG22 THR A 99 5.538 -11.557 -0.339 1.00 12.43 H new ATOM 0 HG23 THR A 99 3.993 -10.700 -0.559 1.00 12.43 H new ATOM 1611 N THR A 100 2.686 -10.936 -3.921 1.00 61.10 N ATOM 1612 CA THR A 100 1.917 -9.754 -4.364 1.00 4.25 C ATOM 1613 C THR A 100 0.409 -9.899 -4.085 1.00 14.31 C ATOM 1614 O THR A 100 -0.157 -10.987 -4.201 1.00 64.51 O ATOM 1615 CB THR A 100 2.129 -9.482 -5.879 1.00 23.04 C ATOM 1616 OG1 THR A 100 3.495 -9.115 -6.126 1.00 34.15 O ATOM 1617 CG2 THR A 100 1.211 -8.374 -6.393 1.00 20.04 C ATOM 0 H THR A 100 2.282 -11.828 -4.205 1.00 61.10 H new ATOM 0 HA THR A 100 2.295 -8.911 -3.785 1.00 4.25 H new ATOM 0 HB THR A 100 1.885 -10.401 -6.411 1.00 23.04 H new ATOM 0 HG1 THR A 100 3.534 -8.185 -6.432 1.00 34.15 H new ATOM 0 HG21 THR A 100 1.392 -8.216 -7.456 1.00 20.04 H new ATOM 0 HG22 THR A 100 0.171 -8.663 -6.241 1.00 20.04 H new ATOM 0 HG23 THR A 100 1.414 -7.451 -5.849 1.00 20.04 H new ATOM 1625 N CYS A 101 -0.235 -8.785 -3.727 1.00 70.44 N ATOM 1626 CA CYS A 101 -1.690 -8.743 -3.486 1.00 53.23 C ATOM 1627 C CYS A 101 -2.300 -7.455 -4.067 1.00 41.05 C ATOM 1628 O CYS A 101 -1.576 -6.522 -4.415 1.00 22.11 O ATOM 1629 CB CYS A 101 -1.988 -8.824 -1.981 1.00 13.23 C ATOM 1630 SG CYS A 101 -3.748 -8.767 -1.562 1.00 15.04 S ATOM 0 H CYS A 101 0.230 -7.887 -3.595 1.00 70.44 H new ATOM 0 HA CYS A 101 -2.140 -9.602 -3.985 1.00 53.23 H new ATOM 0 HB2 CYS A 101 -1.563 -9.748 -1.588 1.00 13.23 H new ATOM 0 HB3 CYS A 101 -1.481 -8.001 -1.478 1.00 13.23 H new ATOM 0 HG CYS A 101 -3.890 -8.844 -0.272 1.00 15.04 H new ATOM 1636 N ASN A 102 -3.630 -7.398 -4.181 1.00 33.45 N ATOM 1637 CA ASN A 102 -4.308 -6.195 -4.701 1.00 61.44 C ATOM 1638 C ASN A 102 -5.172 -5.498 -3.640 1.00 45.03 C ATOM 1639 O ASN A 102 -5.620 -6.113 -2.672 1.00 1.53 O ATOM 1640 CB ASN A 102 -5.167 -6.538 -5.924 1.00 23.01 C ATOM 1641 CG ASN A 102 -4.327 -6.887 -7.136 1.00 41.23 C ATOM 1642 OD1 ASN A 102 -3.867 -5.879 -7.848 1.00 73.01 O flip ATOM 1643 ND2 ASN A 102 -4.069 -8.051 -7.421 1.00 71.01 N flip ATOM 0 H ASN A 102 -4.258 -8.160 -3.925 1.00 33.45 H new ATOM 0 HA ASN A 102 -3.520 -5.500 -4.993 1.00 61.44 H new ATOM 0 HB2 ASN A 102 -5.820 -7.377 -5.683 1.00 23.01 H new ATOM 0 HB3 ASN A 102 -5.811 -5.691 -6.162 1.00 23.01 H new ATOM 0 HD21 ASN A 102 -4.440 -8.810 -6.850 1.00 71.01 H new ATOM 0 HD22 ASN A 102 -3.483 -8.260 -8.229 1.00 71.01 H new ATOM 1650 N THR A 103 -5.377 -4.197 -3.834 1.00 14.23 N ATOM 1651 CA THR A 103 -6.230 -3.381 -2.956 1.00 40.12 C ATOM 1652 C THR A 103 -6.985 -2.336 -3.785 1.00 22.31 C ATOM 1653 O THR A 103 -6.473 -1.866 -4.794 1.00 52.32 O ATOM 1654 CB THR A 103 -5.397 -2.652 -1.871 1.00 51.51 C ATOM 1655 OG1 THR A 103 -4.529 -3.583 -1.218 1.00 42.24 O ATOM 1656 CG2 THR A 103 -6.299 -1.990 -0.829 1.00 24.11 C ATOM 0 H THR A 103 -4.959 -3.673 -4.603 1.00 14.23 H new ATOM 0 HA THR A 103 -6.933 -4.053 -2.464 1.00 40.12 H new ATOM 0 HB THR A 103 -4.811 -1.877 -2.364 1.00 51.51 H new ATOM 0 HG1 THR A 103 -3.895 -3.097 -0.651 1.00 42.24 H new ATOM 0 HG21 THR A 103 -5.684 -1.487 -0.082 1.00 24.11 H new ATOM 0 HG22 THR A 103 -6.945 -1.261 -1.318 1.00 24.11 H new ATOM 0 HG23 THR A 103 -6.912 -2.749 -0.343 1.00 24.11 H new ATOM 1664 N ARG A 104 -8.195 -1.968 -3.378 1.00 62.21 N ATOM 1665 CA ARG A 104 -8.976 -0.977 -4.137 1.00 72.22 C ATOM 1666 C ARG A 104 -9.221 0.306 -3.328 1.00 25.10 C ATOM 1667 O ARG A 104 -9.383 0.265 -2.107 1.00 30.44 O ATOM 1668 CB ARG A 104 -10.318 -1.572 -4.595 1.00 22.04 C ATOM 1669 CG ARG A 104 -11.090 -0.649 -5.536 1.00 63.02 C ATOM 1670 CD ARG A 104 -12.420 -1.246 -5.979 1.00 51.32 C ATOM 1671 NE ARG A 104 -13.089 -0.389 -6.954 1.00 43.21 N ATOM 1672 CZ ARG A 104 -14.370 -0.395 -7.183 1.00 61.32 C ATOM 1673 NH1 ARG A 104 -15.149 -1.229 -6.574 1.00 11.31 N ATOM 1674 NH2 ARG A 104 -14.871 0.431 -8.039 1.00 12.23 N ATOM 0 H ARG A 104 -8.657 -2.329 -2.543 1.00 62.21 H new ATOM 0 HA ARG A 104 -8.385 -0.712 -5.014 1.00 72.22 H new ATOM 0 HB2 ARG A 104 -10.136 -2.523 -5.096 1.00 22.04 H new ATOM 0 HB3 ARG A 104 -10.932 -1.786 -3.720 1.00 22.04 H new ATOM 0 HG2 ARG A 104 -11.271 0.303 -5.038 1.00 63.02 H new ATOM 0 HG3 ARG A 104 -10.480 -0.438 -6.414 1.00 63.02 H new ATOM 0 HD2 ARG A 104 -12.252 -2.232 -6.413 1.00 51.32 H new ATOM 0 HD3 ARG A 104 -13.065 -1.386 -5.112 1.00 51.32 H new ATOM 0 HE ARG A 104 -12.513 0.258 -7.492 1.00 43.21 H new ATOM 0 HH11 ARG A 104 -14.761 -1.893 -5.904 1.00 11.31 H new ATOM 0 HH12 ARG A 104 -16.151 -1.222 -6.763 1.00 11.31 H new ATOM 0 HH21 ARG A 104 -14.263 1.085 -8.533 1.00 12.23 H new ATOM 0 HH22 ARG A 104 -15.874 0.430 -8.222 1.00 12.23 H new ATOM 1688 N LEU A 105 -9.235 1.443 -4.023 1.00 25.44 N ATOM 1689 CA LEU A 105 -9.525 2.740 -3.404 1.00 23.42 C ATOM 1690 C LEU A 105 -10.538 3.531 -4.243 1.00 72.14 C ATOM 1691 O LEU A 105 -10.308 3.789 -5.425 1.00 0.20 O ATOM 1692 CB LEU A 105 -8.235 3.558 -3.250 1.00 31.43 C ATOM 1693 CG LEU A 105 -8.416 4.972 -2.667 1.00 11.35 C ATOM 1694 CD1 LEU A 105 -8.936 4.911 -1.232 1.00 3.43 C ATOM 1695 CD2 LEU A 105 -7.108 5.758 -2.739 1.00 62.35 C ATOM 0 H LEU A 105 -9.047 1.494 -5.024 1.00 25.44 H new ATOM 0 HA LEU A 105 -9.954 2.555 -2.419 1.00 23.42 H new ATOM 0 HB2 LEU A 105 -7.548 3.005 -2.610 1.00 31.43 H new ATOM 0 HB3 LEU A 105 -7.760 3.644 -4.227 1.00 31.43 H new ATOM 0 HG LEU A 105 -9.160 5.493 -3.270 1.00 11.35 H new ATOM 0 HD11 LEU A 105 -9.055 5.923 -0.845 1.00 3.43 H new ATOM 0 HD12 LEU A 105 -9.899 4.401 -1.215 1.00 3.43 H new ATOM 0 HD13 LEU A 105 -8.226 4.366 -0.611 1.00 3.43 H new ATOM 0 HD21 LEU A 105 -7.258 6.754 -2.322 1.00 62.35 H new ATOM 0 HD22 LEU A 105 -6.339 5.238 -2.168 1.00 62.35 H new ATOM 0 HD23 LEU A 105 -6.792 5.844 -3.779 1.00 62.35 H new ATOM 1707 N ASP A 106 -11.654 3.909 -3.623 1.00 55.10 N ATOM 1708 CA ASP A 106 -12.692 4.703 -4.292 1.00 0.44 C ATOM 1709 C ASP A 106 -12.748 6.139 -3.740 1.00 61.11 C ATOM 1710 O ASP A 106 -12.463 6.383 -2.566 1.00 45.41 O ATOM 1711 CB ASP A 106 -14.061 4.035 -4.127 1.00 3.15 C ATOM 1712 CG ASP A 106 -14.211 2.774 -4.954 1.00 10.41 C ATOM 1713 OD1 ASP A 106 -13.758 1.705 -4.504 1.00 62.24 O ATOM 1714 OD2 ASP A 106 -14.799 2.851 -6.057 1.00 1.30 O ATOM 0 H ASP A 106 -11.867 3.678 -2.652 1.00 55.10 H new ATOM 0 HA ASP A 106 -12.436 4.754 -5.350 1.00 0.44 H new ATOM 0 HB2 ASP A 106 -14.216 3.793 -3.076 1.00 3.15 H new ATOM 0 HB3 ASP A 106 -14.840 4.743 -4.410 1.00 3.15 H new ATOM 1719 N VAL A 107 -13.122 7.085 -4.596 1.00 45.05 N ATOM 1720 CA VAL A 107 -13.265 8.490 -4.193 1.00 23.01 C ATOM 1721 C VAL A 107 -14.596 9.072 -4.697 1.00 30.44 C ATOM 1722 O VAL A 107 -15.080 8.708 -5.770 1.00 55.34 O ATOM 1723 CB VAL A 107 -12.094 9.360 -4.723 1.00 64.42 C ATOM 1724 CG1 VAL A 107 -12.251 10.814 -4.278 1.00 24.43 C ATOM 1725 CG2 VAL A 107 -10.747 8.801 -4.266 1.00 63.44 C ATOM 0 H VAL A 107 -13.333 6.908 -5.578 1.00 45.05 H new ATOM 0 HA VAL A 107 -13.249 8.510 -3.103 1.00 23.01 H new ATOM 0 HB VAL A 107 -12.122 9.331 -5.812 1.00 64.42 H new ATOM 0 HG11 VAL A 107 -11.418 11.404 -4.662 1.00 24.43 H new ATOM 0 HG12 VAL A 107 -13.188 11.214 -4.665 1.00 24.43 H new ATOM 0 HG13 VAL A 107 -12.259 10.862 -3.189 1.00 24.43 H new ATOM 0 HG21 VAL A 107 -9.943 9.429 -4.651 1.00 63.44 H new ATOM 0 HG22 VAL A 107 -10.709 8.789 -3.177 1.00 63.44 H new ATOM 0 HG23 VAL A 107 -10.627 7.786 -4.644 1.00 63.44 H new ATOM 1735 N THR A 108 -15.182 9.974 -3.916 1.00 15.12 N ATOM 1736 CA THR A 108 -16.454 10.618 -4.271 1.00 52.13 C ATOM 1737 C THR A 108 -16.317 12.149 -4.226 1.00 34.21 C ATOM 1738 O THR A 108 -15.604 12.692 -3.383 1.00 2.13 O ATOM 1739 CB THR A 108 -17.593 10.183 -3.313 1.00 54.54 C ATOM 1740 OG1 THR A 108 -17.669 8.748 -3.241 1.00 2.21 O ATOM 1741 CG2 THR A 108 -18.945 10.736 -3.761 1.00 23.45 C ATOM 0 H THR A 108 -14.796 10.282 -3.023 1.00 15.12 H new ATOM 0 HA THR A 108 -16.705 10.303 -5.284 1.00 52.13 H new ATOM 0 HB THR A 108 -17.361 10.589 -2.328 1.00 54.54 H new ATOM 0 HG1 THR A 108 -18.391 8.489 -2.631 1.00 2.21 H new ATOM 0 HG21 THR A 108 -19.719 10.411 -3.066 1.00 23.45 H new ATOM 0 HG22 THR A 108 -18.906 11.825 -3.777 1.00 23.45 H new ATOM 0 HG23 THR A 108 -19.176 10.367 -4.760 1.00 23.45 H new ATOM 1749 N ALA A 109 -17.004 12.845 -5.127 1.00 53.00 N ATOM 1750 CA ALA A 109 -16.911 14.306 -5.204 1.00 5.15 C ATOM 1751 C ALA A 109 -17.703 14.982 -4.077 1.00 64.14 C ATOM 1752 O ALA A 109 -18.837 14.598 -3.782 1.00 2.40 O ATOM 1753 CB ALA A 109 -17.405 14.790 -6.562 1.00 31.44 C ATOM 0 H ALA A 109 -17.631 12.426 -5.814 1.00 53.00 H new ATOM 0 HA ALA A 109 -15.864 14.582 -5.083 1.00 5.15 H new ATOM 0 HB1 ALA A 109 -17.332 15.877 -6.610 1.00 31.44 H new ATOM 0 HB2 ALA A 109 -16.793 14.350 -7.350 1.00 31.44 H new ATOM 0 HB3 ALA A 109 -18.444 14.490 -6.699 1.00 31.44 H new