USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 607 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 71 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 73 LYS NZ :NH3+ 164:sc= 0.622 (180deg=-0.196) USER MOD Set 1.3: A 74 GLN : amide:sc= 0.819 K(o=1.4,f=-8.3!) USER MOD Set 2.1: A 14 LYS NZ :NH3+ -157:sc= 1.93 (180deg=0.739) USER MOD Set 2.2: A 82 THR OG1 : rot -64:sc= 1.61 USER MOD Single : A 22 CYS SG : rot 21:sc= 0.141 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 29 THR OG1 : rot 177:sc= 0.251 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HD1:sc= -0.486 X(o=-0.49,f=-0.49) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 SER OG : rot 75:sc= 1.24 USER MOD Single : A 54 HIS : no HD1:sc= -2.03! K(o=-2!,f=-0.12) USER MOD Single : A 55 LYS NZ :NH3+ -164:sc= -0.0532 (180deg=-0.314) USER MOD Single : A 63 ASN : amide:sc= -0.426 K(o=-0.43,f=-2.2!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 72 HIS : no HD1:sc= -0.0454 X(o=-0.045,f=-0.27) USER MOD Single : A 77 CYS SG : rot 46:sc= 1.23 USER MOD Single : A 78 THR OG1 : rot 53:sc= 1.18 USER MOD Single : A 81 ASN : amide:sc= 0.91 K(o=0.91,f=-0.048) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 HIS : no HE2:sc= 1.19 K(o=1.2,f=-5.6!) USER MOD ----------------------------------------------------------------- ATOM 79 N ILE A 7 -3.781 -5.526 -12.325 1.00 64.13 N ATOM 80 CA ILE A 7 -2.760 -4.705 -11.729 1.00 13.24 C ATOM 81 C ILE A 7 -3.058 -3.312 -12.214 1.00 71.51 C ATOM 82 O ILE A 7 -3.393 -3.110 -13.393 1.00 43.41 O ATOM 83 CB ILE A 7 -1.316 -5.119 -12.137 1.00 32.03 C ATOM 84 CG1 ILE A 7 -0.893 -6.473 -11.497 1.00 54.13 C ATOM 85 CG2 ILE A 7 -0.330 -3.997 -11.752 1.00 71.22 C ATOM 86 CD1 ILE A 7 -1.615 -7.696 -12.049 1.00 64.45 C ATOM 0 HA ILE A 7 -2.782 -4.802 -10.644 1.00 13.24 H new ATOM 0 HB ILE A 7 -1.297 -5.263 -13.217 1.00 32.03 H new ATOM 0 HG12 ILE A 7 0.179 -6.607 -11.640 1.00 54.13 H new ATOM 0 HG13 ILE A 7 -1.067 -6.421 -10.422 1.00 54.13 H new ATOM 0 HG21 ILE A 7 0.681 -4.287 -12.038 1.00 71.22 H new ATOM 0 HG22 ILE A 7 -0.604 -3.078 -12.270 1.00 71.22 H new ATOM 0 HG23 ILE A 7 -0.369 -3.832 -10.675 1.00 71.22 H new ATOM 0 HD11 ILE A 7 -1.254 -8.591 -11.543 1.00 64.45 H new ATOM 0 HD12 ILE A 7 -2.687 -7.592 -11.882 1.00 64.45 H new ATOM 0 HD13 ILE A 7 -1.421 -7.781 -13.118 1.00 64.45 H new ATOM 98 N PHE A 8 -2.968 -2.326 -11.314 1.00 34.12 N ATOM 99 CA PHE A 8 -3.253 -0.971 -11.676 1.00 62.51 C ATOM 100 C PHE A 8 -2.329 -0.130 -10.867 1.00 71.53 C ATOM 101 O PHE A 8 -1.822 -0.572 -9.834 1.00 34.23 O ATOM 102 CB PHE A 8 -4.739 -0.512 -11.428 1.00 72.10 C ATOM 103 CG PHE A 8 -5.166 -0.817 -10.006 1.00 43.12 C ATOM 104 CD1 PHE A 8 -5.455 -2.150 -9.595 1.00 32.04 C ATOM 105 CD2 PHE A 8 -5.318 0.231 -9.063 1.00 45.40 C ATOM 106 CE1 PHE A 8 -5.864 -2.416 -8.276 1.00 25.34 C ATOM 107 CE2 PHE A 8 -5.733 -0.048 -7.746 1.00 65.11 C ATOM 108 CZ PHE A 8 -6.002 -1.369 -7.355 1.00 34.35 C ATOM 0 H PHE A 8 -2.700 -2.460 -10.339 1.00 34.12 H new ATOM 0 HA PHE A 8 -3.114 -0.869 -12.752 1.00 62.51 H new ATOM 0 HB2 PHE A 8 -4.831 0.557 -11.619 1.00 72.10 H new ATOM 0 HB3 PHE A 8 -5.403 -1.019 -12.129 1.00 72.10 H new ATOM 0 HD1 PHE A 8 -5.359 -2.962 -10.301 1.00 32.04 H new ATOM 0 HD2 PHE A 8 -5.114 1.250 -9.356 1.00 45.40 H new ATOM 0 HE1 PHE A 8 -6.073 -3.431 -7.972 1.00 25.34 H new ATOM 0 HE2 PHE A 8 -5.845 0.757 -7.035 1.00 65.11 H new ATOM 0 HZ PHE A 8 -6.316 -1.579 -6.343 1.00 34.35 H new ATOM 118 N GLU A 9 -2.060 1.096 -11.340 1.00 24.11 N ATOM 119 CA GLU A 9 -1.184 1.986 -10.625 1.00 12.14 C ATOM 120 C GLU A 9 -2.073 2.979 -9.951 1.00 22.20 C ATOM 121 O GLU A 9 -3.083 3.391 -10.516 1.00 73.32 O ATOM 122 CB GLU A 9 -0.249 2.804 -11.542 1.00 71.03 C ATOM 123 CG GLU A 9 0.708 1.948 -12.365 1.00 54.34 C ATOM 124 CD GLU A 9 1.511 2.874 -13.233 1.00 62.22 C ATOM 125 OE1 GLU A 9 2.269 3.705 -12.681 1.00 34.52 O ATOM 126 OE2 GLU A 9 1.375 2.790 -14.465 1.00 21.44 O ATOM 0 H GLU A 9 -2.440 1.475 -12.207 1.00 24.11 H new ATOM 0 HA GLU A 9 -0.562 1.387 -9.960 1.00 12.14 H new ATOM 0 HB2 GLU A 9 -0.855 3.407 -12.218 1.00 71.03 H new ATOM 0 HB3 GLU A 9 0.331 3.495 -10.930 1.00 71.03 H new ATOM 0 HG2 GLU A 9 1.363 1.370 -11.713 1.00 54.34 H new ATOM 0 HG3 GLU A 9 0.155 1.234 -12.975 1.00 54.34 H new ATOM 133 N VAL A 10 -1.701 3.391 -8.749 1.00 23.42 N ATOM 134 CA VAL A 10 -2.376 4.459 -8.073 1.00 53.21 C ATOM 135 C VAL A 10 -1.309 5.461 -7.820 1.00 11.24 C ATOM 136 O VAL A 10 -0.253 5.126 -7.291 1.00 2.32 O ATOM 137 CB VAL A 10 -2.991 4.037 -6.737 1.00 4.20 C ATOM 138 CG1 VAL A 10 -3.589 5.270 -6.021 1.00 73.01 C ATOM 139 CG2 VAL A 10 -4.047 2.953 -7.025 1.00 1.52 C ATOM 0 H VAL A 10 -0.924 2.988 -8.226 1.00 23.42 H new ATOM 0 HA VAL A 10 -3.207 4.825 -8.676 1.00 53.21 H new ATOM 0 HB VAL A 10 -2.238 3.622 -6.067 1.00 4.20 H new ATOM 0 HG11 VAL A 10 -4.025 4.963 -5.071 1.00 73.01 H new ATOM 0 HG12 VAL A 10 -2.802 6.002 -5.839 1.00 73.01 H new ATOM 0 HG13 VAL A 10 -4.362 5.715 -6.648 1.00 73.01 H new ATOM 0 HG21 VAL A 10 -4.504 2.632 -6.089 1.00 1.52 H new ATOM 0 HG22 VAL A 10 -4.815 3.359 -7.683 1.00 1.52 H new ATOM 0 HG23 VAL A 10 -3.570 2.100 -7.507 1.00 1.52 H new ATOM 149 N GLU A 11 -1.542 6.719 -8.213 1.00 12.52 N ATOM 150 CA GLU A 11 -0.606 7.754 -7.899 1.00 44.03 C ATOM 151 C GLU A 11 -1.135 8.412 -6.686 1.00 41.24 C ATOM 152 O GLU A 11 -2.233 8.985 -6.701 1.00 65.21 O ATOM 153 CB GLU A 11 -0.444 8.809 -9.005 1.00 2.33 C ATOM 154 CG GLU A 11 0.284 8.258 -10.239 1.00 45.11 C ATOM 155 CD GLU A 11 0.350 9.352 -11.270 1.00 41.13 C ATOM 156 OE1 GLU A 11 -0.719 9.745 -11.777 1.00 14.20 O ATOM 157 OE2 GLU A 11 1.462 9.809 -11.591 1.00 73.43 O ATOM 0 H GLU A 11 -2.362 7.021 -8.739 1.00 12.52 H new ATOM 0 HA GLU A 11 0.381 7.310 -7.770 1.00 44.03 H new ATOM 0 HB2 GLU A 11 -1.427 9.175 -9.300 1.00 2.33 H new ATOM 0 HB3 GLU A 11 0.109 9.662 -8.611 1.00 2.33 H new ATOM 0 HG2 GLU A 11 1.287 7.925 -9.972 1.00 45.11 H new ATOM 0 HG3 GLU A 11 -0.244 7.391 -10.637 1.00 45.11 H new ATOM 164 N LEU A 12 -0.391 8.287 -5.585 1.00 54.13 N ATOM 165 CA LEU A 12 -0.838 8.772 -4.333 1.00 12.43 C ATOM 166 C LEU A 12 -0.093 10.023 -4.092 1.00 40.15 C ATOM 167 O LEU A 12 1.147 10.023 -4.068 1.00 32.33 O ATOM 168 CB LEU A 12 -0.501 7.780 -3.193 1.00 72.43 C ATOM 169 CG LEU A 12 -1.496 7.770 -2.026 1.00 62.15 C ATOM 170 CD1 LEU A 12 -1.433 9.022 -1.145 1.00 22.14 C ATOM 171 CD2 LEU A 12 -2.911 7.456 -2.506 1.00 41.21 C ATOM 0 H LEU A 12 0.528 7.846 -5.564 1.00 54.13 H new ATOM 0 HA LEU A 12 -1.919 8.913 -4.348 1.00 12.43 H new ATOM 0 HB2 LEU A 12 -0.445 6.775 -3.611 1.00 72.43 H new ATOM 0 HB3 LEU A 12 0.489 8.019 -2.805 1.00 72.43 H new ATOM 0 HG LEU A 12 -1.185 6.958 -1.369 1.00 62.15 H new ATOM 0 HD11 LEU A 12 -2.166 8.940 -0.343 1.00 22.14 H new ATOM 0 HD12 LEU A 12 -0.435 9.116 -0.717 1.00 22.14 H new ATOM 0 HD13 LEU A 12 -1.653 9.903 -1.748 1.00 22.14 H new ATOM 0 HD21 LEU A 12 -3.592 7.456 -1.655 1.00 41.21 H new ATOM 0 HD22 LEU A 12 -3.228 8.212 -3.225 1.00 41.21 H new ATOM 0 HD23 LEU A 12 -2.925 6.475 -2.981 1.00 41.21 H new ATOM 183 N ALA A 13 -0.823 11.124 -3.931 1.00 54.11 N ATOM 184 CA ALA A 13 -0.210 12.383 -3.660 1.00 71.01 C ATOM 185 C ALA A 13 -0.213 12.564 -2.183 1.00 42.54 C ATOM 186 O ALA A 13 -1.214 12.349 -1.519 1.00 3.41 O ATOM 187 CB ALA A 13 -0.953 13.580 -4.277 1.00 0.02 C ATOM 0 H ALA A 13 -1.841 11.150 -3.987 1.00 54.11 H new ATOM 0 HA ALA A 13 0.788 12.364 -4.098 1.00 71.01 H new ATOM 0 HB1 ALA A 13 -0.428 14.502 -4.028 1.00 0.02 H new ATOM 0 HB2 ALA A 13 -0.991 13.465 -5.360 1.00 0.02 H new ATOM 0 HB3 ALA A 13 -1.967 13.622 -3.881 1.00 0.02 H new ATOM 193 N LYS A 14 0.919 12.998 -1.657 1.00 60.03 N ATOM 194 CA LYS A 14 1.087 13.356 -0.256 1.00 11.33 C ATOM 195 C LYS A 14 0.755 14.818 -0.150 1.00 65.40 C ATOM 196 O LYS A 14 1.427 15.557 0.542 1.00 42.54 O ATOM 197 CB LYS A 14 2.526 13.143 0.293 1.00 52.24 C ATOM 198 CG LYS A 14 2.901 11.674 0.603 1.00 75.00 C ATOM 199 CD LYS A 14 2.682 10.690 -0.547 1.00 13.04 C ATOM 200 CE LYS A 14 3.361 9.323 -0.344 1.00 34.20 C ATOM 201 NZ LYS A 14 4.834 9.474 -0.138 1.00 42.53 N ATOM 0 H LYS A 14 1.771 13.115 -2.206 1.00 60.03 H new ATOM 0 HA LYS A 14 0.440 12.708 0.336 1.00 11.33 H new ATOM 0 HB2 LYS A 14 3.237 13.537 -0.433 1.00 52.24 H new ATOM 0 HB3 LYS A 14 2.641 13.731 1.204 1.00 52.24 H new ATOM 0 HG2 LYS A 14 3.950 11.638 0.896 1.00 75.00 H new ATOM 0 HG3 LYS A 14 2.318 11.340 1.462 1.00 75.00 H new ATOM 0 HD2 LYS A 14 1.611 10.535 -0.679 1.00 13.04 H new ATOM 0 HD3 LYS A 14 3.056 11.136 -1.469 1.00 13.04 H new ATOM 0 HE2 LYS A 14 2.921 8.820 0.517 1.00 34.20 H new ATOM 0 HE3 LYS A 14 3.176 8.690 -1.212 1.00 34.20 H new ATOM 0 HZ1 LYS A 14 5.313 8.585 -0.389 1.00 42.53 H new ATOM 0 HZ2 LYS A 14 5.192 10.242 -0.741 1.00 42.53 H new ATOM 0 HZ3 LYS A 14 5.024 9.700 0.859 1.00 42.53 H new ATOM 285 N GLY A 20 -0.197 8.880 6.831 1.00 64.34 N ATOM 286 CA GLY A 20 -1.131 8.046 7.553 1.00 3.34 C ATOM 287 C GLY A 20 -1.437 6.772 6.830 1.00 51.43 C ATOM 288 O GLY A 20 -2.617 6.420 6.675 1.00 5.31 O ATOM 0 HA2 GLY A 20 -0.721 7.813 8.536 1.00 3.34 H new ATOM 0 HA3 GLY A 20 -2.056 8.599 7.716 1.00 3.34 H new ATOM 292 N ILE A 21 -0.404 6.033 6.400 1.00 73.15 N ATOM 293 CA ILE A 21 -0.626 4.737 5.820 1.00 13.40 C ATOM 294 C ILE A 21 0.195 3.801 6.669 1.00 42.11 C ATOM 295 O ILE A 21 1.207 4.207 7.241 1.00 75.54 O ATOM 296 CB ILE A 21 -0.160 4.636 4.349 1.00 41.22 C ATOM 297 CG1 ILE A 21 -0.634 5.879 3.549 1.00 40.22 C ATOM 298 CG2 ILE A 21 -0.673 3.302 3.733 1.00 2.44 C ATOM 299 CD1 ILE A 21 -0.254 5.844 2.062 1.00 54.24 C ATOM 0 H ILE A 21 0.573 6.321 6.449 1.00 73.15 H new ATOM 0 HA ILE A 21 -1.691 4.508 5.803 1.00 13.40 H new ATOM 0 HB ILE A 21 0.929 4.626 4.302 1.00 41.22 H new ATOM 0 HG12 ILE A 21 -1.717 5.963 3.635 1.00 40.22 H new ATOM 0 HG13 ILE A 21 -0.208 6.774 4.002 1.00 40.22 H new ATOM 0 HG21 ILE A 21 -0.345 3.230 2.696 1.00 2.44 H new ATOM 0 HG22 ILE A 21 -0.272 2.462 4.300 1.00 2.44 H new ATOM 0 HG23 ILE A 21 -1.762 3.279 3.771 1.00 2.44 H new ATOM 0 HD11 ILE A 21 -0.620 6.746 1.572 1.00 54.24 H new ATOM 0 HD12 ILE A 21 0.830 5.793 1.965 1.00 54.24 H new ATOM 0 HD13 ILE A 21 -0.702 4.968 1.592 1.00 54.24 H new ATOM 311 N CYS A 22 -0.208 2.531 6.748 1.00 62.05 N ATOM 312 CA CYS A 22 0.623 1.525 7.358 1.00 3.25 C ATOM 313 C CYS A 22 0.210 0.290 6.656 1.00 71.53 C ATOM 314 O CYS A 22 -0.780 0.286 5.912 1.00 63.45 O ATOM 315 CB CYS A 22 0.327 1.279 8.869 1.00 61.41 C ATOM 316 SG CYS A 22 1.118 2.491 9.994 1.00 61.12 S ATOM 0 H CYS A 22 -1.102 2.189 6.395 1.00 62.05 H new ATOM 0 HA CYS A 22 1.670 1.819 7.287 1.00 3.25 H new ATOM 0 HB2 CYS A 22 -0.751 1.304 9.026 1.00 61.41 H new ATOM 0 HB3 CYS A 22 0.665 0.278 9.136 1.00 61.41 H new ATOM 0 HG CYS A 22 1.407 3.572 9.333 1.00 61.12 H new ATOM 321 N VAL A 23 1.034 -0.744 6.761 1.00 73.14 N ATOM 322 CA VAL A 23 0.914 -1.875 5.924 1.00 21.03 C ATOM 323 C VAL A 23 1.387 -3.015 6.769 1.00 33.34 C ATOM 324 O VAL A 23 1.934 -2.805 7.860 1.00 61.23 O ATOM 325 CB VAL A 23 1.801 -1.779 4.669 1.00 42.13 C ATOM 326 CG1 VAL A 23 1.026 -1.025 3.564 1.00 22.25 C ATOM 327 CG2 VAL A 23 3.119 -1.074 5.044 1.00 44.33 C ATOM 0 H VAL A 23 1.796 -0.799 7.437 1.00 73.14 H new ATOM 0 HA VAL A 23 -0.110 -1.981 5.565 1.00 21.03 H new ATOM 0 HB VAL A 23 2.050 -2.768 4.284 1.00 42.13 H new ATOM 0 HG11 VAL A 23 1.646 -0.952 2.670 1.00 22.25 H new ATOM 0 HG12 VAL A 23 0.111 -1.567 3.327 1.00 22.25 H new ATOM 0 HG13 VAL A 23 0.775 -0.024 3.914 1.00 22.25 H new ATOM 0 HG21 VAL A 23 3.756 -1.000 4.162 1.00 44.33 H new ATOM 0 HG22 VAL A 23 2.903 -0.074 5.420 1.00 44.33 H new ATOM 0 HG23 VAL A 23 3.632 -1.648 5.815 1.00 44.33 H new ATOM 337 N THR A 24 1.151 -4.227 6.298 1.00 55.42 N ATOM 338 CA THR A 24 1.507 -5.400 7.010 1.00 61.44 C ATOM 339 C THR A 24 1.791 -6.407 5.931 1.00 62.41 C ATOM 340 O THR A 24 1.500 -6.151 4.785 1.00 24.35 O ATOM 341 CB THR A 24 0.413 -5.902 7.958 1.00 50.13 C ATOM 342 OG1 THR A 24 0.895 -6.965 8.784 1.00 22.54 O ATOM 343 CG2 THR A 24 -0.835 -6.346 7.149 1.00 50.54 C ATOM 0 H THR A 24 0.702 -4.406 5.400 1.00 55.42 H new ATOM 0 HA THR A 24 2.356 -5.214 7.668 1.00 61.44 H new ATOM 0 HB THR A 24 0.124 -5.082 8.615 1.00 50.13 H new ATOM 0 HG1 THR A 24 0.178 -7.266 9.381 1.00 22.54 H new ATOM 0 HG21 THR A 24 -1.605 -6.701 7.834 1.00 50.54 H new ATOM 0 HG22 THR A 24 -1.218 -5.500 6.578 1.00 50.54 H new ATOM 0 HG23 THR A 24 -0.559 -7.149 6.466 1.00 50.54 H new ATOM 351 N GLY A 25 2.401 -7.545 6.281 1.00 44.55 N ATOM 352 CA GLY A 25 2.755 -8.540 5.284 1.00 31.30 C ATOM 353 C GLY A 25 4.224 -8.649 5.287 1.00 14.10 C ATOM 354 O GLY A 25 4.885 -8.089 6.171 1.00 65.02 O ATOM 0 H GLY A 25 2.654 -7.791 7.238 1.00 44.55 H new ATOM 0 HA2 GLY A 25 2.297 -9.501 5.518 1.00 31.30 H new ATOM 0 HA3 GLY A 25 2.392 -8.245 4.299 1.00 31.30 H new ATOM 358 N GLY A 26 4.782 -9.392 4.324 1.00 74.13 N ATOM 359 CA GLY A 26 6.205 -9.511 4.221 1.00 65.21 C ATOM 360 C GLY A 26 6.574 -10.947 4.350 1.00 61.13 C ATOM 361 O GLY A 26 6.101 -11.793 3.592 1.00 11.53 O ATOM 0 H GLY A 26 4.257 -9.909 3.619 1.00 74.13 H new ATOM 0 HA2 GLY A 26 6.549 -9.117 3.265 1.00 65.21 H new ATOM 0 HA3 GLY A 26 6.691 -8.924 5.001 1.00 65.21 H new ATOM 365 N VAL A 27 7.462 -11.248 5.324 1.00 22.05 N ATOM 366 CA VAL A 27 8.162 -12.525 5.483 1.00 24.42 C ATOM 367 C VAL A 27 7.257 -13.647 5.995 1.00 50.24 C ATOM 368 O VAL A 27 7.764 -14.606 6.576 1.00 21.21 O ATOM 369 CB VAL A 27 9.391 -12.412 6.364 1.00 41.44 C ATOM 370 CG1 VAL A 27 10.419 -11.540 5.613 1.00 30.21 C ATOM 371 CG2 VAL A 27 8.985 -11.821 7.737 1.00 11.44 C ATOM 0 H VAL A 27 7.715 -10.574 6.046 1.00 22.05 H new ATOM 0 HA VAL A 27 8.485 -12.790 4.476 1.00 24.42 H new ATOM 0 HB VAL A 27 9.843 -13.383 6.566 1.00 41.44 H new ATOM 0 HG11 VAL A 27 11.319 -11.436 6.218 1.00 30.21 H new ATOM 0 HG12 VAL A 27 10.672 -12.012 4.664 1.00 30.21 H new ATOM 0 HG13 VAL A 27 9.992 -10.555 5.426 1.00 30.21 H new ATOM 0 HG21 VAL A 27 9.867 -11.739 8.373 1.00 11.44 H new ATOM 0 HG22 VAL A 27 8.548 -10.833 7.593 1.00 11.44 H new ATOM 0 HG23 VAL A 27 8.254 -12.475 8.213 1.00 11.44 H new ATOM 381 N ASN A 28 5.922 -13.509 5.843 1.00 72.33 N ATOM 382 CA ASN A 28 4.927 -14.415 6.458 1.00 32.53 C ATOM 383 C ASN A 28 4.585 -13.859 7.791 1.00 53.34 C ATOM 384 O ASN A 28 4.877 -14.416 8.846 1.00 65.55 O ATOM 385 CB ASN A 28 5.307 -15.933 6.604 1.00 23.32 C ATOM 386 CG ASN A 28 4.039 -16.734 6.905 1.00 32.53 C ATOM 387 OD1 ASN A 28 3.125 -16.778 6.081 1.00 13.23 O ATOM 388 ND2 ASN A 28 3.967 -17.379 8.083 1.00 70.45 N ATOM 0 H ASN A 28 5.502 -12.763 5.288 1.00 72.33 H new ATOM 0 HA ASN A 28 4.093 -14.441 5.756 1.00 32.53 H new ATOM 0 HB2 ASN A 28 5.773 -16.295 5.687 1.00 23.32 H new ATOM 0 HB3 ASN A 28 6.035 -16.064 7.405 1.00 23.32 H new ATOM 0 HD21 ASN A 28 3.137 -17.925 8.316 1.00 70.45 H new ATOM 0 HD22 ASN A 28 4.742 -17.322 8.744 1.00 70.45 H new ATOM 395 N THR A 29 3.953 -12.692 7.715 1.00 44.40 N ATOM 396 CA THR A 29 3.342 -12.032 8.829 1.00 20.12 C ATOM 397 C THR A 29 1.966 -12.700 8.963 1.00 22.13 C ATOM 398 O THR A 29 1.747 -13.765 8.396 1.00 54.30 O ATOM 399 CB THR A 29 3.209 -10.531 8.590 1.00 1.14 C ATOM 400 OG1 THR A 29 4.373 -10.096 7.883 1.00 35.31 O ATOM 401 CG2 THR A 29 3.146 -9.786 9.951 1.00 73.10 C ATOM 0 H THR A 29 3.857 -12.175 6.841 1.00 44.40 H new ATOM 0 HA THR A 29 3.938 -12.126 9.737 1.00 20.12 H new ATOM 0 HB THR A 29 2.302 -10.321 8.023 1.00 1.14 H new ATOM 0 HG1 THR A 29 4.293 -9.141 7.678 1.00 35.31 H new ATOM 0 HG21 THR A 29 3.051 -8.714 9.775 1.00 73.10 H new ATOM 0 HG22 THR A 29 2.285 -10.138 10.519 1.00 73.10 H new ATOM 0 HG23 THR A 29 4.058 -9.982 10.515 1.00 73.10 H new ATOM 409 N SER A 30 1.050 -12.127 9.753 1.00 61.41 N ATOM 410 CA SER A 30 -0.227 -12.752 10.053 1.00 21.22 C ATOM 411 C SER A 30 -1.027 -13.041 8.775 1.00 50.00 C ATOM 412 O SER A 30 -1.862 -13.959 8.753 1.00 22.31 O ATOM 413 CB SER A 30 -1.073 -11.864 10.981 1.00 11.23 C ATOM 414 OG SER A 30 -0.290 -11.506 12.129 1.00 64.33 O ATOM 0 H SER A 30 1.181 -11.218 10.198 1.00 61.41 H new ATOM 0 HA SER A 30 -0.006 -13.694 10.554 1.00 21.22 H new ATOM 0 HB2 SER A 30 -1.396 -10.968 10.452 1.00 11.23 H new ATOM 0 HB3 SER A 30 -1.974 -12.394 11.290 1.00 11.23 H new ATOM 0 HG SER A 30 -0.823 -10.938 12.724 1.00 64.33 H new ATOM 420 N VAL A 31 -0.778 -12.282 7.679 1.00 53.32 N ATOM 421 CA VAL A 31 -1.438 -12.567 6.420 1.00 72.52 C ATOM 422 C VAL A 31 -0.715 -13.747 5.780 1.00 12.54 C ATOM 423 O VAL A 31 0.516 -13.786 5.732 1.00 22.44 O ATOM 424 CB VAL A 31 -1.464 -11.388 5.455 1.00 71.21 C ATOM 425 CG1 VAL A 31 -2.443 -10.344 6.012 1.00 43.41 C ATOM 426 CG2 VAL A 31 -0.035 -10.818 5.287 1.00 64.25 C ATOM 0 H VAL A 31 -0.137 -11.489 7.659 1.00 53.32 H new ATOM 0 HA VAL A 31 -2.483 -12.792 6.632 1.00 72.52 H new ATOM 0 HB VAL A 31 -1.802 -11.694 4.465 1.00 71.21 H new ATOM 0 HG11 VAL A 31 -2.482 -9.487 5.340 1.00 43.41 H new ATOM 0 HG12 VAL A 31 -3.436 -10.785 6.096 1.00 43.41 H new ATOM 0 HG13 VAL A 31 -2.107 -10.018 6.996 1.00 43.41 H new ATOM 0 HG21 VAL A 31 -0.058 -9.975 4.596 1.00 64.25 H new ATOM 0 HG22 VAL A 31 0.340 -10.484 6.255 1.00 64.25 H new ATOM 0 HG23 VAL A 31 0.622 -11.593 4.892 1.00 64.25 H new ATOM 436 N ARG A 32 -1.500 -14.758 5.327 1.00 72.12 N ATOM 437 CA ARG A 32 -0.961 -16.027 4.847 1.00 2.34 C ATOM 438 C ARG A 32 -0.045 -15.805 3.667 1.00 72.25 C ATOM 439 O ARG A 32 1.087 -16.270 3.661 1.00 4.50 O ATOM 440 CB ARG A 32 -2.063 -17.024 4.407 1.00 51.04 C ATOM 441 CG ARG A 32 -1.525 -18.432 4.075 1.00 14.10 C ATOM 442 CD ARG A 32 -2.594 -19.402 3.549 1.00 61.24 C ATOM 443 NE ARG A 32 -3.111 -18.856 2.239 1.00 42.20 N ATOM 444 CZ ARG A 32 -4.390 -18.340 2.103 1.00 63.34 C ATOM 445 NH1 ARG A 32 -5.214 -18.222 3.179 1.00 52.31 N ATOM 446 NH2 ARG A 32 -4.819 -17.940 0.881 1.00 33.11 N ATOM 0 H ARG A 32 -2.518 -14.703 5.290 1.00 72.12 H new ATOM 0 HA ARG A 32 -0.418 -16.454 5.690 1.00 2.34 H new ATOM 0 HB2 ARG A 32 -2.805 -17.106 5.201 1.00 51.04 H new ATOM 0 HB3 ARG A 32 -2.575 -16.624 3.532 1.00 51.04 H new ATOM 0 HG2 ARG A 32 -0.734 -18.341 3.331 1.00 14.10 H new ATOM 0 HG3 ARG A 32 -1.073 -18.857 4.971 1.00 14.10 H new ATOM 0 HD2 ARG A 32 -2.171 -20.396 3.408 1.00 61.24 H new ATOM 0 HD3 ARG A 32 -3.407 -19.501 4.269 1.00 61.24 H new ATOM 0 HE ARG A 32 -2.496 -18.867 1.425 1.00 42.20 H new ATOM 0 HH11 ARG A 32 -4.893 -18.515 4.102 1.00 52.31 H new ATOM 0 HH12 ARG A 32 -6.153 -17.840 3.063 1.00 52.31 H new ATOM 0 HH21 ARG A 32 -4.202 -18.020 0.073 1.00 33.11 H new ATOM 0 HH22 ARG A 32 -5.759 -17.559 0.770 1.00 33.11 H new ATOM 460 N HIS A 33 -0.533 -15.108 2.621 1.00 31.33 N ATOM 461 CA HIS A 33 0.225 -14.998 1.359 1.00 2.45 C ATOM 462 C HIS A 33 1.351 -13.992 1.519 1.00 34.00 C ATOM 463 O HIS A 33 2.067 -13.689 0.566 1.00 1.11 O ATOM 464 CB HIS A 33 -0.658 -14.554 0.162 1.00 71.03 C ATOM 465 CG HIS A 33 0.065 -14.541 -1.165 1.00 45.13 C ATOM 466 ND1 HIS A 33 0.696 -15.646 -1.673 1.00 23.14 N ATOM 467 CD2 HIS A 33 0.218 -13.544 -2.065 1.00 51.34 C ATOM 468 CE1 HIS A 33 1.214 -15.328 -2.854 1.00 40.33 C ATOM 469 NE2 HIS A 33 0.934 -14.054 -3.114 1.00 74.10 N ATOM 0 H HIS A 33 -1.430 -14.622 2.623 1.00 31.33 H new ATOM 0 HA HIS A 33 0.613 -15.994 1.144 1.00 2.45 H new ATOM 0 HB2 HIS A 33 -1.516 -15.222 0.090 1.00 71.03 H new ATOM 0 HB3 HIS A 33 -1.047 -13.556 0.362 1.00 71.03 H new ATOM 0 HD2 HIS A 33 -0.155 -12.535 -1.973 1.00 51.34 H new ATOM 0 HE1 HIS A 33 1.771 -15.994 -3.497 1.00 40.33 H new ATOM 0 HE2 HIS A 33 1.207 -13.543 -3.954 1.00 74.10 H new ATOM 478 N GLY A 34 1.534 -13.467 2.748 1.00 75.52 N ATOM 479 CA GLY A 34 2.597 -12.499 3.048 1.00 41.12 C ATOM 480 C GLY A 34 2.457 -11.250 2.202 1.00 40.04 C ATOM 481 O GLY A 34 3.393 -10.459 2.121 1.00 30.31 O ATOM 0 H GLY A 34 0.951 -13.703 3.551 1.00 75.52 H new ATOM 0 HA2 GLY A 34 2.561 -12.232 4.104 1.00 41.12 H new ATOM 0 HA3 GLY A 34 3.570 -12.956 2.868 1.00 41.12 H new ATOM 485 N GLY A 35 1.288 -11.066 1.537 1.00 50.10 N ATOM 486 CA GLY A 35 1.071 -9.917 0.670 1.00 21.42 C ATOM 487 C GLY A 35 1.131 -8.684 1.501 1.00 4.02 C ATOM 488 O GLY A 35 0.776 -8.710 2.672 1.00 13.42 O ATOM 0 H GLY A 35 0.495 -11.705 1.595 1.00 50.10 H new ATOM 0 HA2 GLY A 35 1.829 -9.884 -0.113 1.00 21.42 H new ATOM 0 HA3 GLY A 35 0.103 -9.993 0.174 1.00 21.42 H new ATOM 492 N ILE A 36 1.606 -7.573 0.915 1.00 23.13 N ATOM 493 CA ILE A 36 1.712 -6.345 1.651 1.00 75.41 C ATOM 494 C ILE A 36 0.330 -5.721 1.651 1.00 31.32 C ATOM 495 O ILE A 36 -0.066 -5.084 0.689 1.00 43.05 O ATOM 496 CB ILE A 36 2.711 -5.363 1.039 1.00 3.22 C ATOM 497 CG1 ILE A 36 4.075 -6.055 0.754 1.00 40.31 C ATOM 498 CG2 ILE A 36 2.842 -4.134 1.965 1.00 23.52 C ATOM 499 CD1 ILE A 36 4.783 -6.588 2.007 1.00 14.52 C ATOM 0 H ILE A 36 1.914 -7.519 -0.056 1.00 23.13 H new ATOM 0 HA ILE A 36 2.077 -6.563 2.655 1.00 75.41 H new ATOM 0 HB ILE A 36 2.346 -5.018 0.072 1.00 3.22 H new ATOM 0 HG12 ILE A 36 3.913 -6.882 0.062 1.00 40.31 H new ATOM 0 HG13 ILE A 36 4.733 -5.345 0.253 1.00 40.31 H new ATOM 0 HG21 ILE A 36 3.553 -3.429 1.535 1.00 23.52 H new ATOM 0 HG22 ILE A 36 1.870 -3.652 2.069 1.00 23.52 H new ATOM 0 HG23 ILE A 36 3.195 -4.453 2.946 1.00 23.52 H new ATOM 0 HD11 ILE A 36 5.725 -7.055 1.721 1.00 14.52 H new ATOM 0 HD12 ILE A 36 4.980 -5.763 2.692 1.00 14.52 H new ATOM 0 HD13 ILE A 36 4.147 -7.324 2.499 1.00 14.52 H new ATOM 511 N TYR A 37 -0.444 -5.927 2.726 1.00 73.54 N ATOM 512 CA TYR A 37 -1.793 -5.401 2.781 1.00 40.23 C ATOM 513 C TYR A 37 -1.727 -4.117 3.502 1.00 43.45 C ATOM 514 O TYR A 37 -0.976 -3.971 4.458 1.00 23.02 O ATOM 515 CB TYR A 37 -2.818 -6.287 3.558 1.00 31.23 C ATOM 516 CG TYR A 37 -3.127 -7.504 2.740 1.00 74.25 C ATOM 517 CD1 TYR A 37 -2.294 -8.638 2.798 1.00 31.02 C ATOM 518 CD2 TYR A 37 -4.267 -7.536 1.895 1.00 31.43 C ATOM 519 CE1 TYR A 37 -2.564 -9.770 2.012 1.00 22.14 C ATOM 520 CE2 TYR A 37 -4.541 -8.671 1.112 1.00 71.21 C ATOM 521 CZ TYR A 37 -3.681 -9.786 1.163 1.00 33.03 C ATOM 522 OH TYR A 37 -3.932 -10.915 0.359 1.00 52.41 O ATOM 0 H TYR A 37 -0.154 -6.448 3.553 1.00 73.54 H new ATOM 0 HA TYR A 37 -2.140 -5.337 1.750 1.00 40.23 H new ATOM 0 HB2 TYR A 37 -2.408 -6.577 4.525 1.00 31.23 H new ATOM 0 HB3 TYR A 37 -3.730 -5.724 3.755 1.00 31.23 H new ATOM 0 HD1 TYR A 37 -1.437 -8.637 3.455 1.00 31.02 H new ATOM 0 HD2 TYR A 37 -4.928 -6.683 1.853 1.00 31.43 H new ATOM 0 HE1 TYR A 37 -1.911 -10.629 2.061 1.00 22.14 H new ATOM 0 HE2 TYR A 37 -5.410 -8.688 0.472 1.00 71.21 H new ATOM 0 HH TYR A 37 -4.744 -10.766 -0.169 1.00 52.41 H new ATOM 532 N VAL A 38 -2.552 -3.156 3.072 1.00 23.10 N ATOM 533 CA VAL A 38 -2.744 -1.944 3.794 1.00 40.44 C ATOM 534 C VAL A 38 -3.549 -2.333 5.004 1.00 13.35 C ATOM 535 O VAL A 38 -4.526 -3.095 4.904 1.00 45.41 O ATOM 536 CB VAL A 38 -3.484 -0.893 2.983 1.00 33.42 C ATOM 537 CG1 VAL A 38 -3.662 0.384 3.818 1.00 20.44 C ATOM 538 CG2 VAL A 38 -2.680 -0.641 1.682 1.00 22.01 C ATOM 0 H VAL A 38 -3.095 -3.220 2.211 1.00 23.10 H new ATOM 0 HA VAL A 38 -1.786 -1.492 4.049 1.00 40.44 H new ATOM 0 HB VAL A 38 -4.484 -1.233 2.716 1.00 33.42 H new ATOM 0 HG11 VAL A 38 -4.193 1.132 3.230 1.00 20.44 H new ATOM 0 HG12 VAL A 38 -4.235 0.154 4.716 1.00 20.44 H new ATOM 0 HG13 VAL A 38 -2.684 0.773 4.101 1.00 20.44 H new ATOM 0 HG21 VAL A 38 -3.189 0.111 1.079 1.00 22.01 H new ATOM 0 HG22 VAL A 38 -1.680 -0.287 1.935 1.00 22.01 H new ATOM 0 HG23 VAL A 38 -2.604 -1.569 1.116 1.00 22.01 H new ATOM 548 N LYS A 39 -3.090 -1.896 6.176 1.00 50.53 N ATOM 549 CA LYS A 39 -3.588 -2.419 7.415 1.00 35.22 C ATOM 550 C LYS A 39 -4.522 -1.409 7.978 1.00 21.34 C ATOM 551 O LYS A 39 -5.567 -1.748 8.536 1.00 31.32 O ATOM 552 CB LYS A 39 -2.449 -2.618 8.441 1.00 21.40 C ATOM 553 CG LYS A 39 -2.876 -3.350 9.725 1.00 21.44 C ATOM 554 CD LYS A 39 -1.792 -3.320 10.801 1.00 23.52 C ATOM 555 CE LYS A 39 -2.260 -3.815 12.180 1.00 30.43 C ATOM 556 NZ LYS A 39 -2.393 -5.287 12.221 1.00 13.42 N ATOM 0 H LYS A 39 -2.372 -1.179 6.277 1.00 50.53 H new ATOM 0 HA LYS A 39 -4.067 -3.380 7.228 1.00 35.22 H new ATOM 0 HB2 LYS A 39 -1.643 -3.179 7.968 1.00 21.40 H new ATOM 0 HB3 LYS A 39 -2.043 -1.643 8.710 1.00 21.40 H new ATOM 0 HG2 LYS A 39 -3.785 -2.892 10.116 1.00 21.44 H new ATOM 0 HG3 LYS A 39 -3.118 -4.386 9.486 1.00 21.44 H new ATOM 0 HD2 LYS A 39 -0.953 -3.933 10.473 1.00 23.52 H new ATOM 0 HD3 LYS A 39 -1.422 -2.300 10.900 1.00 23.52 H new ATOM 0 HE2 LYS A 39 -1.550 -3.493 12.942 1.00 30.43 H new ATOM 0 HE3 LYS A 39 -3.218 -3.357 12.424 1.00 30.43 H new ATOM 0 HZ1 LYS A 39 -2.710 -5.581 13.167 1.00 13.42 H new ATOM 0 HZ2 LYS A 39 -3.090 -5.593 11.512 1.00 13.42 H new ATOM 0 HZ3 LYS A 39 -1.473 -5.725 12.013 1.00 13.42 H new ATOM 570 N ALA A 40 -4.147 -0.134 7.850 1.00 73.32 N ATOM 571 CA ALA A 40 -4.862 0.907 8.506 1.00 20.54 C ATOM 572 C ALA A 40 -4.630 2.118 7.714 1.00 33.12 C ATOM 573 O ALA A 40 -3.652 2.201 6.963 1.00 52.23 O ATOM 574 CB ALA A 40 -4.355 1.207 9.931 1.00 55.13 C ATOM 0 H ALA A 40 -3.351 0.179 7.294 1.00 73.32 H new ATOM 0 HA ALA A 40 -5.905 0.602 8.587 1.00 20.54 H new ATOM 0 HB1 ALA A 40 -4.948 2.011 10.367 1.00 55.13 H new ATOM 0 HB2 ALA A 40 -4.449 0.312 10.546 1.00 55.13 H new ATOM 0 HB3 ALA A 40 -3.309 1.510 9.889 1.00 55.13 H new ATOM 580 N VAL A 41 -5.534 3.084 7.874 1.00 14.43 N ATOM 581 CA VAL A 41 -5.409 4.356 7.244 1.00 42.30 C ATOM 582 C VAL A 41 -5.966 5.324 8.252 1.00 12.24 C ATOM 583 O VAL A 41 -6.952 5.014 8.939 1.00 75.02 O ATOM 584 CB VAL A 41 -6.205 4.483 5.930 1.00 5.51 C ATOM 585 CG1 VAL A 41 -5.945 5.867 5.306 1.00 21.52 C ATOM 586 CG2 VAL A 41 -5.790 3.334 4.984 1.00 74.32 C ATOM 0 H VAL A 41 -6.370 2.985 8.451 1.00 14.43 H new ATOM 0 HA VAL A 41 -4.370 4.534 6.967 1.00 42.30 H new ATOM 0 HB VAL A 41 -7.276 4.402 6.115 1.00 5.51 H new ATOM 0 HG11 VAL A 41 -6.507 5.959 4.377 1.00 21.52 H new ATOM 0 HG12 VAL A 41 -6.263 6.645 6.000 1.00 21.52 H new ATOM 0 HG13 VAL A 41 -4.881 5.979 5.099 1.00 21.52 H new ATOM 0 HG21 VAL A 41 -6.347 3.413 4.050 1.00 74.32 H new ATOM 0 HG22 VAL A 41 -4.722 3.401 4.777 1.00 74.32 H new ATOM 0 HG23 VAL A 41 -6.008 2.377 5.457 1.00 74.32 H new ATOM 596 N ILE A 42 -5.318 6.506 8.385 1.00 24.52 N ATOM 597 CA ILE A 42 -5.799 7.540 9.307 1.00 52.54 C ATOM 598 C ILE A 42 -7.065 8.077 8.694 1.00 52.44 C ATOM 599 O ILE A 42 -7.158 8.202 7.474 1.00 24.52 O ATOM 600 CB ILE A 42 -4.803 8.729 9.503 1.00 74.25 C ATOM 601 CG1 ILE A 42 -3.398 8.227 9.771 1.00 44.22 C ATOM 602 CG2 ILE A 42 -5.288 9.648 10.634 1.00 35.02 C ATOM 603 CD1 ILE A 42 -3.305 7.290 10.917 1.00 1.31 C ATOM 0 H ILE A 42 -4.474 6.757 7.870 1.00 24.52 H new ATOM 0 HA ILE A 42 -5.933 7.094 10.292 1.00 52.54 H new ATOM 0 HB ILE A 42 -4.773 9.307 8.580 1.00 74.25 H new ATOM 0 HG12 ILE A 42 -3.023 7.730 8.876 1.00 44.22 H new ATOM 0 HG13 ILE A 42 -2.747 9.081 9.958 1.00 44.22 H new ATOM 0 HG21 ILE A 42 -4.585 10.472 10.760 1.00 35.02 H new ATOM 0 HG22 ILE A 42 -6.272 10.045 10.384 1.00 35.02 H new ATOM 0 HG23 ILE A 42 -5.352 9.080 11.562 1.00 35.02 H new ATOM 0 HD11 ILE A 42 -2.270 6.975 11.046 1.00 1.31 H new ATOM 0 HD12 ILE A 42 -3.648 7.789 11.823 1.00 1.31 H new ATOM 0 HD13 ILE A 42 -3.929 6.417 10.725 1.00 1.31 H new ATOM 615 N PRO A 43 -8.051 8.422 9.533 1.00 63.40 N ATOM 616 CA PRO A 43 -9.180 9.221 9.115 1.00 70.34 C ATOM 617 C PRO A 43 -8.671 10.497 8.481 1.00 40.13 C ATOM 618 O PRO A 43 -8.075 11.322 9.183 1.00 54.01 O ATOM 619 CB PRO A 43 -9.974 9.481 10.409 1.00 2.21 C ATOM 620 CG PRO A 43 -9.608 8.282 11.305 1.00 32.23 C ATOM 621 CD PRO A 43 -8.152 8.001 10.937 1.00 65.24 C ATOM 0 HA PRO A 43 -9.812 8.739 8.369 1.00 70.34 H new ATOM 0 HB2 PRO A 43 -9.691 10.427 10.870 1.00 2.21 H new ATOM 0 HB3 PRO A 43 -11.046 9.527 10.219 1.00 2.21 H new ATOM 0 HG2 PRO A 43 -9.717 8.522 12.363 1.00 32.23 H new ATOM 0 HG3 PRO A 43 -10.247 7.421 11.106 1.00 32.23 H new ATOM 0 HD2 PRO A 43 -7.465 8.561 11.572 1.00 65.24 H new ATOM 0 HD3 PRO A 43 -7.907 6.945 11.056 1.00 65.24 H new ATOM 629 N GLN A 44 -8.882 10.636 7.164 1.00 52.13 N ATOM 630 CA GLN A 44 -8.438 11.769 6.401 1.00 60.24 C ATOM 631 C GLN A 44 -6.947 11.698 6.168 1.00 11.34 C ATOM 632 O GLN A 44 -6.342 12.712 5.865 1.00 30.42 O ATOM 633 CB GLN A 44 -8.816 13.159 6.983 1.00 42.34 C ATOM 634 CG GLN A 44 -10.319 13.305 7.265 1.00 23.03 C ATOM 635 CD GLN A 44 -10.550 14.660 7.902 1.00 4.33 C ATOM 636 OE1 GLN A 44 -10.919 14.746 9.076 1.00 21.40 O ATOM 637 NE2 GLN A 44 -10.332 15.742 7.138 1.00 3.24 N ATOM 0 H GLN A 44 -9.377 9.940 6.606 1.00 52.13 H new ATOM 0 HA GLN A 44 -8.982 11.695 5.459 1.00 60.24 H new ATOM 0 HB2 GLN A 44 -8.261 13.323 7.907 1.00 42.34 H new ATOM 0 HB3 GLN A 44 -8.506 13.936 6.284 1.00 42.34 H new ATOM 0 HG2 GLN A 44 -10.890 13.217 6.341 1.00 23.03 H new ATOM 0 HG3 GLN A 44 -10.661 12.510 7.928 1.00 23.03 H new ATOM 0 HE21 GLN A 44 -10.027 15.631 6.171 1.00 3.24 H new ATOM 0 HE22 GLN A 44 -10.471 16.676 7.524 1.00 3.24 H new ATOM 646 N GLY A 45 -6.308 10.483 6.249 1.00 2.25 N ATOM 647 CA GLY A 45 -4.927 10.354 5.796 1.00 74.30 C ATOM 648 C GLY A 45 -4.905 10.508 4.288 1.00 63.33 C ATOM 649 O GLY A 45 -5.964 10.623 3.634 1.00 35.43 O ATOM 0 H GLY A 45 -6.728 9.627 6.612 1.00 2.25 H new ATOM 0 HA2 GLY A 45 -4.301 11.113 6.265 1.00 74.30 H new ATOM 0 HA3 GLY A 45 -4.522 9.384 6.085 1.00 74.30 H new ATOM 653 N ALA A 46 -3.687 10.507 3.692 1.00 42.04 N ATOM 654 CA ALA A 46 -3.513 10.770 2.263 1.00 60.45 C ATOM 655 C ALA A 46 -4.228 9.702 1.476 1.00 53.12 C ATOM 656 O ALA A 46 -4.893 9.990 0.480 1.00 53.12 O ATOM 657 CB ALA A 46 -2.020 10.770 1.829 1.00 13.43 C ATOM 0 H ALA A 46 -2.816 10.325 4.190 1.00 42.04 H new ATOM 0 HA ALA A 46 -3.922 11.761 2.068 1.00 60.45 H new ATOM 0 HB1 ALA A 46 -1.952 10.970 0.760 1.00 13.43 H new ATOM 0 HB2 ALA A 46 -1.482 11.543 2.378 1.00 13.43 H new ATOM 0 HB3 ALA A 46 -1.578 9.797 2.045 1.00 13.43 H new ATOM 663 N ALA A 47 -4.106 8.434 1.932 1.00 62.42 N ATOM 664 CA ALA A 47 -4.698 7.290 1.233 1.00 23.12 C ATOM 665 C ALA A 47 -6.209 7.444 1.193 1.00 74.01 C ATOM 666 O ALA A 47 -6.820 7.321 0.141 1.00 13.54 O ATOM 667 CB ALA A 47 -4.374 5.944 1.915 1.00 41.42 C ATOM 0 H ALA A 47 -3.601 8.186 2.783 1.00 62.42 H new ATOM 0 HA ALA A 47 -4.270 7.279 0.230 1.00 23.12 H new ATOM 0 HB1 ALA A 47 -4.837 5.132 1.355 1.00 41.42 H new ATOM 0 HB2 ALA A 47 -3.294 5.799 1.938 1.00 41.42 H new ATOM 0 HB3 ALA A 47 -4.761 5.950 2.934 1.00 41.42 H new ATOM 673 N GLU A 48 -6.837 7.738 2.361 1.00 44.02 N ATOM 674 CA GLU A 48 -8.308 7.791 2.436 1.00 63.04 C ATOM 675 C GLU A 48 -8.806 8.956 1.605 1.00 13.50 C ATOM 676 O GLU A 48 -9.861 8.884 0.981 1.00 44.11 O ATOM 677 CB GLU A 48 -8.875 7.953 3.872 1.00 43.13 C ATOM 678 CG GLU A 48 -10.412 7.808 3.915 1.00 43.54 C ATOM 679 CD GLU A 48 -10.890 8.053 5.308 1.00 53.05 C ATOM 680 OE1 GLU A 48 -10.674 9.163 5.817 1.00 44.31 O ATOM 681 OE2 GLU A 48 -11.512 7.148 5.896 1.00 22.00 O ATOM 0 H GLU A 48 -6.357 7.936 3.239 1.00 44.02 H new ATOM 0 HA GLU A 48 -8.658 6.829 2.062 1.00 63.04 H new ATOM 0 HB2 GLU A 48 -8.423 7.206 4.525 1.00 43.13 H new ATOM 0 HB3 GLU A 48 -8.593 8.931 4.263 1.00 43.13 H new ATOM 0 HG2 GLU A 48 -10.875 8.517 3.229 1.00 43.54 H new ATOM 0 HG3 GLU A 48 -10.704 6.810 3.588 1.00 43.54 H new ATOM 688 N SER A 49 -8.036 10.059 1.586 1.00 5.23 N ATOM 689 CA SER A 49 -8.423 11.249 0.846 1.00 72.32 C ATOM 690 C SER A 49 -8.411 10.909 -0.638 1.00 14.50 C ATOM 691 O SER A 49 -9.267 11.358 -1.404 1.00 40.31 O ATOM 692 CB SER A 49 -7.440 12.416 1.089 1.00 12.22 C ATOM 693 OG SER A 49 -7.363 12.708 2.497 1.00 12.32 O ATOM 0 H SER A 49 -7.146 10.140 2.077 1.00 5.23 H new ATOM 0 HA SER A 49 -9.412 11.560 1.181 1.00 72.32 H new ATOM 0 HB2 SER A 49 -6.452 12.156 0.708 1.00 12.22 H new ATOM 0 HB3 SER A 49 -7.770 13.300 0.543 1.00 12.22 H new ATOM 0 HG SER A 49 -6.832 12.017 2.946 1.00 12.32 H new ATOM 699 N ASP A 50 -7.424 10.080 -1.043 1.00 34.12 N ATOM 700 CA ASP A 50 -7.267 9.656 -2.437 1.00 1.32 C ATOM 701 C ASP A 50 -8.453 8.791 -2.810 1.00 31.50 C ATOM 702 O ASP A 50 -9.022 8.916 -3.893 1.00 71.23 O ATOM 703 CB ASP A 50 -5.984 8.828 -2.659 1.00 1.54 C ATOM 704 CG ASP A 50 -5.732 8.716 -4.140 1.00 4.24 C ATOM 705 OD1 ASP A 50 -5.561 9.769 -4.784 1.00 31.44 O ATOM 706 OD2 ASP A 50 -5.689 7.599 -4.655 1.00 45.51 O ATOM 0 H ASP A 50 -6.722 9.693 -0.412 1.00 34.12 H new ATOM 0 HA ASP A 50 -7.203 10.553 -3.052 1.00 1.32 H new ATOM 0 HB2 ASP A 50 -5.137 9.305 -2.166 1.00 1.54 H new ATOM 0 HB3 ASP A 50 -6.093 7.837 -2.218 1.00 1.54 H new ATOM 711 N GLY A 51 -8.855 7.913 -1.876 1.00 74.24 N ATOM 712 CA GLY A 51 -10.066 7.114 -2.044 1.00 44.21 C ATOM 713 C GLY A 51 -9.736 5.811 -2.715 1.00 14.13 C ATOM 714 O GLY A 51 -10.483 4.840 -2.599 1.00 30.22 O ATOM 0 H GLY A 51 -8.357 7.744 -1.002 1.00 74.24 H new ATOM 0 HA2 GLY A 51 -10.525 6.926 -1.073 1.00 44.21 H new ATOM 0 HA3 GLY A 51 -10.794 7.664 -2.639 1.00 44.21 H new ATOM 718 N ARG A 52 -8.616 5.754 -3.450 1.00 21.30 N ATOM 719 CA ARG A 52 -8.279 4.544 -4.172 1.00 3.35 C ATOM 720 C ARG A 52 -7.704 3.573 -3.189 1.00 21.42 C ATOM 721 O ARG A 52 -7.974 2.382 -3.271 1.00 1.34 O ATOM 722 CB ARG A 52 -7.255 4.736 -5.323 1.00 35.13 C ATOM 723 CG ARG A 52 -7.844 5.407 -6.588 1.00 20.40 C ATOM 724 CD ARG A 52 -8.307 6.856 -6.378 1.00 32.33 C ATOM 725 NE ARG A 52 -8.791 7.410 -7.686 1.00 0.34 N ATOM 726 CZ ARG A 52 -9.243 8.715 -7.766 1.00 72.32 C ATOM 727 NH1 ARG A 52 -9.375 9.474 -6.625 1.00 63.11 N ATOM 728 NH2 ARG A 52 -9.560 9.248 -8.976 1.00 32.20 N ATOM 0 H ARG A 52 -7.949 6.519 -3.552 1.00 21.30 H new ATOM 0 HA ARG A 52 -9.198 4.193 -4.641 1.00 3.35 H new ATOM 0 HB2 ARG A 52 -6.424 5.339 -4.958 1.00 35.13 H new ATOM 0 HB3 ARG A 52 -6.847 3.763 -5.597 1.00 35.13 H new ATOM 0 HG2 ARG A 52 -7.093 5.389 -7.378 1.00 20.40 H new ATOM 0 HG3 ARG A 52 -8.689 4.815 -6.939 1.00 20.40 H new ATOM 0 HD2 ARG A 52 -9.104 6.892 -5.636 1.00 32.33 H new ATOM 0 HD3 ARG A 52 -7.486 7.461 -5.994 1.00 32.33 H new ATOM 0 HE ARG A 52 -8.787 6.822 -8.519 1.00 0.34 H new ATOM 0 HH11 ARG A 52 -9.139 9.074 -5.717 1.00 63.11 H new ATOM 0 HH12 ARG A 52 -9.709 10.436 -6.688 1.00 63.11 H new ATOM 0 HH21 ARG A 52 -9.464 8.686 -9.822 1.00 32.20 H new ATOM 0 HH22 ARG A 52 -9.894 10.210 -9.038 1.00 32.20 H new ATOM 742 N ILE A 53 -6.901 4.053 -2.237 1.00 22.14 N ATOM 743 CA ILE A 53 -6.255 3.161 -1.308 1.00 0.21 C ATOM 744 C ILE A 53 -6.981 3.282 0.006 1.00 15.22 C ATOM 745 O ILE A 53 -7.193 4.379 0.515 1.00 51.44 O ATOM 746 CB ILE A 53 -4.785 3.493 -1.105 1.00 3.13 C ATOM 747 CG1 ILE A 53 -4.083 3.570 -2.479 1.00 24.11 C ATOM 748 CG2 ILE A 53 -4.148 2.441 -0.159 1.00 72.53 C ATOM 749 CD1 ILE A 53 -2.604 3.904 -2.386 1.00 43.34 C ATOM 0 H ILE A 53 -6.693 5.042 -2.100 1.00 22.14 H new ATOM 0 HA ILE A 53 -6.295 2.147 -1.707 1.00 0.21 H new ATOM 0 HB ILE A 53 -4.668 4.467 -0.630 1.00 3.13 H new ATOM 0 HG12 ILE A 53 -4.200 2.615 -2.992 1.00 24.11 H new ATOM 0 HG13 ILE A 53 -4.580 4.323 -3.090 1.00 24.11 H new ATOM 0 HG21 ILE A 53 -3.094 2.676 -0.011 1.00 72.53 H new ATOM 0 HG22 ILE A 53 -4.662 2.458 0.802 1.00 72.53 H new ATOM 0 HG23 ILE A 53 -4.240 1.450 -0.603 1.00 72.53 H new ATOM 0 HD11 ILE A 53 -2.176 3.942 -3.388 1.00 43.34 H new ATOM 0 HD12 ILE A 53 -2.479 4.872 -1.902 1.00 43.34 H new ATOM 0 HD13 ILE A 53 -2.094 3.138 -1.802 1.00 43.34 H new ATOM 761 N HIS A 54 -7.369 2.142 0.574 1.00 61.34 N ATOM 762 CA HIS A 54 -7.921 2.105 1.892 1.00 32.51 C ATOM 763 C HIS A 54 -7.336 0.900 2.489 1.00 72.14 C ATOM 764 O HIS A 54 -6.504 0.236 1.880 1.00 42.21 O ATOM 765 CB HIS A 54 -9.457 1.934 1.941 1.00 52.22 C ATOM 766 CG HIS A 54 -10.215 3.094 1.384 1.00 64.44 C ATOM 767 ND1 HIS A 54 -10.614 3.151 0.083 1.00 31.02 N ATOM 768 CD2 HIS A 54 -10.652 4.215 1.987 1.00 24.44 C ATOM 769 CE1 HIS A 54 -11.286 4.277 -0.095 1.00 63.22 C ATOM 770 NE2 HIS A 54 -11.315 4.938 1.050 1.00 2.01 N ATOM 0 H HIS A 54 -7.303 1.231 0.121 1.00 61.34 H new ATOM 0 HA HIS A 54 -7.704 3.048 2.395 1.00 32.51 H new ATOM 0 HB2 HIS A 54 -9.730 1.035 1.388 1.00 52.22 H new ATOM 0 HB3 HIS A 54 -9.762 1.777 2.976 1.00 52.22 H new ATOM 0 HD2 HIS A 54 -10.503 4.487 3.021 1.00 24.44 H new ATOM 0 HE1 HIS A 54 -11.736 4.602 -1.021 1.00 63.22 H new ATOM 0 HE2 HIS A 54 -11.762 5.842 1.203 1.00 2.01 H new ATOM 779 N LYS A 55 -7.758 0.576 3.707 1.00 72.30 N ATOM 780 CA LYS A 55 -7.373 -0.665 4.313 1.00 1.32 C ATOM 781 C LYS A 55 -8.039 -1.765 3.541 1.00 73.33 C ATOM 782 O LYS A 55 -9.134 -1.567 2.984 1.00 4.33 O ATOM 783 CB LYS A 55 -7.680 -0.760 5.807 1.00 70.14 C ATOM 784 CG LYS A 55 -9.154 -0.575 6.198 1.00 14.13 C ATOM 785 CD LYS A 55 -10.023 -1.851 6.175 1.00 25.22 C ATOM 786 CE LYS A 55 -11.457 -1.615 6.702 1.00 73.25 C ATOM 787 NZ LYS A 55 -11.433 -1.165 8.111 1.00 61.12 N ATOM 0 H LYS A 55 -8.364 1.162 4.281 1.00 72.30 H new ATOM 0 HA LYS A 55 -6.287 -0.748 4.265 1.00 1.32 H new ATOM 0 HB2 LYS A 55 -7.348 -1.734 6.166 1.00 70.14 H new ATOM 0 HB3 LYS A 55 -7.088 -0.009 6.329 1.00 70.14 H new ATOM 0 HG2 LYS A 55 -9.193 -0.150 7.201 1.00 14.13 H new ATOM 0 HG3 LYS A 55 -9.599 0.157 5.524 1.00 14.13 H new ATOM 0 HD2 LYS A 55 -10.075 -2.230 5.154 1.00 25.22 H new ATOM 0 HD3 LYS A 55 -9.543 -2.622 6.778 1.00 25.22 H new ATOM 0 HE2 LYS A 55 -11.957 -0.868 6.086 1.00 73.25 H new ATOM 0 HE3 LYS A 55 -12.035 -2.535 6.620 1.00 73.25 H new ATOM 0 HZ1 LYS A 55 -12.381 -1.272 8.526 1.00 61.12 H new ATOM 0 HZ2 LYS A 55 -10.753 -1.741 8.648 1.00 61.12 H new ATOM 0 HZ3 LYS A 55 -11.148 -0.166 8.151 1.00 61.12 H new ATOM 801 N GLY A 56 -7.386 -2.910 3.420 1.00 41.00 N ATOM 802 CA GLY A 56 -7.957 -4.012 2.664 1.00 12.33 C ATOM 803 C GLY A 56 -7.268 -4.061 1.332 1.00 13.10 C ATOM 804 O GLY A 56 -7.200 -5.113 0.690 1.00 52.54 O ATOM 0 H GLY A 56 -6.471 -3.099 3.830 1.00 41.00 H new ATOM 0 HA2 GLY A 56 -7.822 -4.952 3.199 1.00 12.33 H new ATOM 0 HA3 GLY A 56 -9.030 -3.870 2.534 1.00 12.33 H new ATOM 808 N ASP A 57 -6.730 -2.899 0.882 1.00 1.15 N ATOM 809 CA ASP A 57 -6.024 -2.827 -0.388 1.00 12.32 C ATOM 810 C ASP A 57 -4.686 -3.413 -0.151 1.00 11.01 C ATOM 811 O ASP A 57 -4.231 -3.445 0.982 1.00 3.11 O ATOM 812 CB ASP A 57 -5.853 -1.380 -0.916 1.00 24.40 C ATOM 813 CG ASP A 57 -7.182 -0.939 -1.511 1.00 44.31 C ATOM 814 OD1 ASP A 57 -7.464 -1.297 -2.680 1.00 72.44 O ATOM 815 OD2 ASP A 57 -7.964 -0.246 -0.814 1.00 30.01 O ATOM 0 H ASP A 57 -6.780 -2.015 1.388 1.00 1.15 H new ATOM 0 HA ASP A 57 -6.601 -3.360 -1.144 1.00 12.32 H new ATOM 0 HB2 ASP A 57 -5.556 -0.712 -0.108 1.00 24.40 H new ATOM 0 HB3 ASP A 57 -5.066 -1.339 -1.669 1.00 24.40 H new ATOM 820 N ARG A 58 -4.020 -3.950 -1.205 1.00 20.33 N ATOM 821 CA ARG A 58 -2.740 -4.574 -0.985 1.00 13.32 C ATOM 822 C ARG A 58 -1.817 -4.088 -2.047 1.00 53.11 C ATOM 823 O ARG A 58 -2.220 -3.885 -3.192 1.00 33.40 O ATOM 824 CB ARG A 58 -2.776 -6.142 -0.916 1.00 14.12 C ATOM 825 CG ARG A 58 -2.712 -6.909 -2.248 1.00 55.33 C ATOM 826 CD ARG A 58 -1.261 -7.145 -2.719 1.00 14.43 C ATOM 827 NE ARG A 58 -1.273 -8.029 -3.915 1.00 33.51 N ATOM 828 CZ ARG A 58 -0.097 -8.557 -4.409 1.00 64.25 C ATOM 829 NH1 ARG A 58 1.104 -8.293 -3.783 1.00 5.24 N ATOM 830 NH2 ARG A 58 -0.121 -9.337 -5.514 1.00 61.32 N ATOM 0 H ARG A 58 -4.351 -3.953 -2.170 1.00 20.33 H new ATOM 0 HA ARG A 58 -2.389 -4.286 0.006 1.00 13.32 H new ATOM 0 HB2 ARG A 58 -1.942 -6.472 -0.297 1.00 14.12 H new ATOM 0 HB3 ARG A 58 -3.691 -6.436 -0.401 1.00 14.12 H new ATOM 0 HG2 ARG A 58 -3.216 -7.869 -2.136 1.00 55.33 H new ATOM 0 HG3 ARG A 58 -3.254 -6.351 -3.012 1.00 55.33 H new ATOM 0 HD2 ARG A 58 -0.785 -6.194 -2.959 1.00 14.43 H new ATOM 0 HD3 ARG A 58 -0.676 -7.602 -1.920 1.00 14.43 H new ATOM 0 HE ARG A 58 -2.157 -8.247 -4.374 1.00 33.51 H new ATOM 0 HH11 ARG A 58 1.126 -7.705 -2.950 1.00 5.24 H new ATOM 0 HH12 ARG A 58 1.969 -8.686 -4.153 1.00 5.24 H new ATOM 0 HH21 ARG A 58 -1.007 -9.534 -5.980 1.00 61.32 H new ATOM 0 HH22 ARG A 58 0.747 -9.728 -5.881 1.00 61.32 H new ATOM 844 N VAL A 59 -0.568 -3.842 -1.659 1.00 5.15 N ATOM 845 CA VAL A 59 0.400 -3.227 -2.506 1.00 41.05 C ATOM 846 C VAL A 59 1.342 -4.324 -2.944 1.00 33.25 C ATOM 847 O VAL A 59 1.540 -5.307 -2.224 1.00 74.21 O ATOM 848 CB VAL A 59 1.190 -2.145 -1.751 1.00 2.34 C ATOM 849 CG1 VAL A 59 2.004 -1.294 -2.751 1.00 63.30 C ATOM 850 CG2 VAL A 59 0.182 -1.297 -0.929 1.00 61.04 C ATOM 0 H VAL A 59 -0.214 -4.075 -0.731 1.00 5.15 H new ATOM 0 HA VAL A 59 -0.088 -2.744 -3.353 1.00 41.05 H new ATOM 0 HB VAL A 59 1.909 -2.590 -1.063 1.00 2.34 H new ATOM 0 HG11 VAL A 59 2.561 -0.530 -2.209 1.00 63.30 H new ATOM 0 HG12 VAL A 59 2.700 -1.935 -3.292 1.00 63.30 H new ATOM 0 HG13 VAL A 59 1.326 -0.816 -3.458 1.00 63.30 H new ATOM 0 HG21 VAL A 59 0.719 -0.521 -0.383 1.00 61.04 H new ATOM 0 HG22 VAL A 59 -0.539 -0.834 -1.603 1.00 61.04 H new ATOM 0 HG23 VAL A 59 -0.343 -1.940 -0.223 1.00 61.04 H new ATOM 860 N LEU A 60 1.923 -4.189 -4.145 1.00 61.45 N ATOM 861 CA LEU A 60 2.998 -5.073 -4.541 1.00 51.43 C ATOM 862 C LEU A 60 4.222 -4.229 -4.695 1.00 73.34 C ATOM 863 O LEU A 60 5.296 -4.590 -4.212 1.00 62.21 O ATOM 864 CB LEU A 60 2.786 -5.876 -5.854 1.00 31.12 C ATOM 865 CG LEU A 60 2.076 -5.151 -7.000 1.00 2.33 C ATOM 866 CD1 LEU A 60 2.460 -5.735 -8.347 1.00 13.23 C ATOM 867 CD2 LEU A 60 0.573 -5.161 -6.824 1.00 11.31 C ATOM 0 H LEU A 60 1.664 -3.487 -4.838 1.00 61.45 H new ATOM 0 HA LEU A 60 3.068 -5.833 -3.763 1.00 51.43 H new ATOM 0 HB2 LEU A 60 3.762 -6.204 -6.213 1.00 31.12 H new ATOM 0 HB3 LEU A 60 2.216 -6.774 -5.615 1.00 31.12 H new ATOM 0 HG LEU A 60 2.408 -4.113 -6.973 1.00 2.33 H new ATOM 0 HD11 LEU A 60 1.938 -5.197 -9.139 1.00 13.23 H new ATOM 0 HD12 LEU A 60 3.536 -5.639 -8.492 1.00 13.23 H new ATOM 0 HD13 LEU A 60 2.182 -6.788 -8.380 1.00 13.23 H new ATOM 0 HD21 LEU A 60 0.106 -4.637 -7.658 1.00 11.31 H new ATOM 0 HD22 LEU A 60 0.217 -6.191 -6.797 1.00 11.31 H new ATOM 0 HD23 LEU A 60 0.313 -4.663 -5.890 1.00 11.31 H new ATOM 879 N ALA A 61 4.096 -3.079 -5.381 1.00 1.40 N ATOM 880 CA ALA A 61 5.274 -2.292 -5.644 1.00 64.55 C ATOM 881 C ALA A 61 5.042 -0.878 -5.258 1.00 51.45 C ATOM 882 O ALA A 61 3.915 -0.423 -5.080 1.00 52.12 O ATOM 883 CB ALA A 61 5.745 -2.312 -7.114 1.00 44.35 C ATOM 0 H ALA A 61 3.221 -2.700 -5.743 1.00 1.40 H new ATOM 0 HA ALA A 61 6.059 -2.754 -5.046 1.00 64.55 H new ATOM 0 HB1 ALA A 61 6.636 -1.693 -7.219 1.00 44.35 H new ATOM 0 HB2 ALA A 61 5.977 -3.336 -7.408 1.00 44.35 H new ATOM 0 HB3 ALA A 61 4.955 -1.921 -7.755 1.00 44.35 H new ATOM 889 N VAL A 62 6.168 -0.185 -5.109 1.00 74.11 N ATOM 890 CA VAL A 62 6.203 1.179 -4.690 1.00 61.11 C ATOM 891 C VAL A 62 7.235 1.802 -5.561 1.00 44.31 C ATOM 892 O VAL A 62 8.402 1.530 -5.427 1.00 35.31 O ATOM 893 CB VAL A 62 6.599 1.363 -3.229 1.00 1.12 C ATOM 894 CG1 VAL A 62 6.685 2.874 -2.903 1.00 34.20 C ATOM 895 CG2 VAL A 62 5.559 0.618 -2.358 1.00 14.32 C ATOM 0 H VAL A 62 7.091 -0.581 -5.284 1.00 74.11 H new ATOM 0 HA VAL A 62 5.211 1.623 -4.774 1.00 61.11 H new ATOM 0 HB VAL A 62 7.583 0.943 -3.021 1.00 1.12 H new ATOM 0 HG11 VAL A 62 6.968 3.005 -1.859 1.00 34.20 H new ATOM 0 HG12 VAL A 62 7.433 3.342 -3.543 1.00 34.20 H new ATOM 0 HG13 VAL A 62 5.715 3.340 -3.077 1.00 34.20 H new ATOM 0 HG21 VAL A 62 5.817 0.732 -1.305 1.00 14.32 H new ATOM 0 HG22 VAL A 62 4.568 1.037 -2.536 1.00 14.32 H new ATOM 0 HG23 VAL A 62 5.558 -0.440 -2.618 1.00 14.32 H new ATOM 905 N ASN A 63 6.782 2.628 -6.508 1.00 73.33 N ATOM 906 CA ASN A 63 7.630 3.294 -7.507 1.00 72.13 C ATOM 907 C ASN A 63 8.574 2.299 -8.174 1.00 73.33 C ATOM 908 O ASN A 63 9.719 2.619 -8.481 1.00 21.22 O ATOM 909 CB ASN A 63 8.437 4.519 -6.964 1.00 4.11 C ATOM 910 CG ASN A 63 8.901 5.365 -8.161 1.00 33.42 C ATOM 911 OD1 ASN A 63 8.210 5.433 -9.182 1.00 64.23 O ATOM 912 ND2 ASN A 63 10.070 6.019 -8.046 1.00 33.04 N ATOM 0 H ASN A 63 5.793 2.859 -6.606 1.00 73.33 H new ATOM 0 HA ASN A 63 6.934 3.696 -8.243 1.00 72.13 H new ATOM 0 HB2 ASN A 63 7.816 5.116 -6.296 1.00 4.11 H new ATOM 0 HB3 ASN A 63 9.295 4.180 -6.384 1.00 4.11 H new ATOM 0 HD21 ASN A 63 10.411 6.593 -8.817 1.00 33.04 H new ATOM 0 HD22 ASN A 63 10.616 5.941 -7.188 1.00 33.04 H new ATOM 919 N GLY A 64 8.090 1.079 -8.430 1.00 3.51 N ATOM 920 CA GLY A 64 8.864 0.105 -9.173 1.00 2.22 C ATOM 921 C GLY A 64 9.745 -0.682 -8.243 1.00 63.44 C ATOM 922 O GLY A 64 10.611 -1.442 -8.700 1.00 61.22 O ATOM 0 H GLY A 64 7.171 0.753 -8.132 1.00 3.51 H new ATOM 0 HA2 GLY A 64 8.195 -0.569 -9.708 1.00 2.22 H new ATOM 0 HA3 GLY A 64 9.474 0.610 -9.922 1.00 2.22 H new ATOM 926 N VAL A 65 9.548 -0.541 -6.913 1.00 44.41 N ATOM 927 CA VAL A 65 10.313 -1.292 -5.976 1.00 40.44 C ATOM 928 C VAL A 65 9.402 -2.374 -5.560 1.00 40.11 C ATOM 929 O VAL A 65 8.335 -2.117 -5.019 1.00 73.12 O ATOM 930 CB VAL A 65 10.723 -0.499 -4.735 1.00 54.42 C ATOM 931 CG1 VAL A 65 11.511 -1.424 -3.770 1.00 72.04 C ATOM 932 CG2 VAL A 65 11.539 0.730 -5.193 1.00 33.44 C ATOM 0 H VAL A 65 8.863 0.090 -6.497 1.00 44.41 H new ATOM 0 HA VAL A 65 11.246 -1.620 -6.434 1.00 40.44 H new ATOM 0 HB VAL A 65 9.854 -0.138 -4.185 1.00 54.42 H new ATOM 0 HG11 VAL A 65 11.804 -0.860 -2.884 1.00 72.04 H new ATOM 0 HG12 VAL A 65 10.881 -2.263 -3.474 1.00 72.04 H new ATOM 0 HG13 VAL A 65 12.402 -1.800 -4.273 1.00 72.04 H new ATOM 0 HG21 VAL A 65 11.842 1.311 -4.322 1.00 33.44 H new ATOM 0 HG22 VAL A 65 12.425 0.397 -5.734 1.00 33.44 H new ATOM 0 HG23 VAL A 65 10.926 1.350 -5.847 1.00 33.44 H new ATOM 942 N SER A 66 9.786 -3.612 -5.839 1.00 51.13 N ATOM 943 CA SER A 66 9.009 -4.736 -5.435 1.00 14.51 C ATOM 944 C SER A 66 9.145 -4.869 -3.945 1.00 71.35 C ATOM 945 O SER A 66 10.220 -5.168 -3.429 1.00 31.23 O ATOM 946 CB SER A 66 9.453 -6.046 -6.107 1.00 71.43 C ATOM 947 OG SER A 66 9.448 -5.873 -7.529 1.00 73.13 O ATOM 0 H SER A 66 10.639 -3.846 -6.347 1.00 51.13 H new ATOM 0 HA SER A 66 7.976 -4.567 -5.738 1.00 14.51 H new ATOM 0 HB2 SER A 66 10.451 -6.323 -5.766 1.00 71.43 H new ATOM 0 HB3 SER A 66 8.783 -6.858 -5.825 1.00 71.43 H new ATOM 0 HG SER A 66 9.732 -6.706 -7.961 1.00 73.13 H new ATOM 953 N LEU A 67 8.040 -4.606 -3.241 1.00 33.04 N ATOM 954 CA LEU A 67 8.016 -4.688 -1.790 1.00 13.04 C ATOM 955 C LEU A 67 7.673 -6.086 -1.396 1.00 65.22 C ATOM 956 O LEU A 67 7.682 -6.407 -0.220 1.00 23.54 O ATOM 957 CB LEU A 67 6.970 -3.756 -1.134 1.00 14.33 C ATOM 958 CG LEU A 67 7.558 -2.421 -0.649 1.00 41.10 C ATOM 959 CD1 LEU A 67 8.545 -2.610 0.521 1.00 32.20 C ATOM 960 CD2 LEU A 67 8.156 -1.585 -1.772 1.00 42.30 C ATOM 0 H LEU A 67 7.151 -4.334 -3.661 1.00 33.04 H new ATOM 0 HA LEU A 67 9.003 -4.380 -1.446 1.00 13.04 H new ATOM 0 HB2 LEU A 67 6.174 -3.554 -1.851 1.00 14.33 H new ATOM 0 HB3 LEU A 67 6.514 -4.272 -0.289 1.00 14.33 H new ATOM 0 HG LEU A 67 6.714 -1.847 -0.267 1.00 41.10 H new ATOM 0 HD11 LEU A 67 8.934 -1.640 0.829 1.00 32.20 H new ATOM 0 HD12 LEU A 67 8.029 -3.077 1.360 1.00 32.20 H new ATOM 0 HD13 LEU A 67 9.370 -3.247 0.202 1.00 32.20 H new ATOM 0 HD21 LEU A 67 8.553 -0.656 -1.362 1.00 42.30 H new ATOM 0 HD22 LEU A 67 8.960 -2.143 -2.253 1.00 42.30 H new ATOM 0 HD23 LEU A 67 7.384 -1.356 -2.506 1.00 42.30 H new ATOM 972 N GLU A 68 7.388 -6.977 -2.372 1.00 35.14 N ATOM 973 CA GLU A 68 7.121 -8.362 -2.034 1.00 23.10 C ATOM 974 C GLU A 68 8.396 -8.925 -1.434 1.00 51.51 C ATOM 975 O GLU A 68 9.495 -8.529 -1.816 1.00 31.10 O ATOM 976 CB GLU A 68 6.675 -9.251 -3.233 1.00 25.43 C ATOM 977 CG GLU A 68 7.717 -9.349 -4.364 1.00 53.22 C ATOM 978 CD GLU A 68 7.170 -10.204 -5.495 1.00 15.30 C ATOM 979 OE1 GLU A 68 5.957 -10.518 -5.495 1.00 72.31 O ATOM 980 OE2 GLU A 68 7.957 -10.561 -6.398 1.00 71.44 O ATOM 0 H GLU A 68 7.341 -6.756 -3.367 1.00 35.14 H new ATOM 0 HA GLU A 68 6.279 -8.377 -1.341 1.00 23.10 H new ATOM 0 HB2 GLU A 68 6.457 -10.254 -2.867 1.00 25.43 H new ATOM 0 HB3 GLU A 68 5.747 -8.852 -3.642 1.00 25.43 H new ATOM 0 HG2 GLU A 68 7.961 -8.353 -4.734 1.00 53.22 H new ATOM 0 HG3 GLU A 68 8.642 -9.782 -3.983 1.00 53.22 H new ATOM 987 N GLY A 69 8.266 -9.806 -0.440 1.00 62.33 N ATOM 988 CA GLY A 69 9.441 -10.362 0.230 1.00 25.54 C ATOM 989 C GLY A 69 9.926 -9.439 1.335 1.00 23.21 C ATOM 990 O GLY A 69 10.447 -9.916 2.354 1.00 43.22 O ATOM 0 H GLY A 69 7.372 -10.145 -0.086 1.00 62.33 H new ATOM 0 HA2 GLY A 69 9.197 -11.339 0.648 1.00 25.54 H new ATOM 0 HA3 GLY A 69 10.239 -10.516 -0.496 1.00 25.54 H new ATOM 994 N ALA A 70 9.813 -8.090 1.150 1.00 64.22 N ATOM 995 CA ALA A 70 10.337 -7.140 2.125 1.00 14.44 C ATOM 996 C ALA A 70 9.523 -7.254 3.376 1.00 34.34 C ATOM 997 O ALA A 70 8.449 -7.826 3.377 1.00 10.10 O ATOM 998 CB ALA A 70 10.299 -5.668 1.665 1.00 12.51 C ATOM 0 H ALA A 70 9.367 -7.661 0.340 1.00 64.22 H new ATOM 0 HA ALA A 70 11.386 -7.396 2.273 1.00 14.44 H new ATOM 0 HB1 ALA A 70 10.707 -5.031 2.450 1.00 12.51 H new ATOM 0 HB2 ALA A 70 10.895 -5.554 0.759 1.00 12.51 H new ATOM 0 HB3 ALA A 70 9.269 -5.377 1.461 1.00 12.51 H new ATOM 1004 N THR A 71 10.058 -6.750 4.487 1.00 54.35 N ATOM 1005 CA THR A 71 9.420 -6.953 5.750 1.00 53.13 C ATOM 1006 C THR A 71 8.328 -5.918 5.921 1.00 3.11 C ATOM 1007 O THR A 71 8.204 -4.967 5.135 1.00 5.40 O ATOM 1008 CB THR A 71 10.391 -6.887 6.911 1.00 44.34 C ATOM 1009 OG1 THR A 71 11.128 -5.663 6.881 1.00 3.31 O ATOM 1010 CG2 THR A 71 11.369 -8.074 6.769 1.00 31.31 C ATOM 0 H THR A 71 10.921 -6.207 4.521 1.00 54.35 H new ATOM 0 HA THR A 71 8.997 -7.958 5.755 1.00 53.13 H new ATOM 0 HB THR A 71 9.846 -6.935 7.854 1.00 44.34 H new ATOM 0 HG1 THR A 71 11.749 -5.636 7.639 1.00 3.31 H new ATOM 0 HG21 THR A 71 12.084 -8.057 7.591 1.00 31.31 H new ATOM 0 HG22 THR A 71 10.811 -9.010 6.793 1.00 31.31 H new ATOM 0 HG23 THR A 71 11.903 -7.994 5.822 1.00 31.31 H new ATOM 1018 N HIS A 72 7.501 -6.110 6.974 1.00 15.00 N ATOM 1019 CA HIS A 72 6.379 -5.242 7.239 1.00 34.23 C ATOM 1020 C HIS A 72 6.894 -3.863 7.519 1.00 14.22 C ATOM 1021 O HIS A 72 6.365 -2.896 7.003 1.00 2.34 O ATOM 1022 CB HIS A 72 5.456 -5.715 8.409 1.00 62.12 C ATOM 1023 CG HIS A 72 6.145 -5.956 9.734 1.00 12.14 C ATOM 1024 ND1 HIS A 72 6.311 -4.976 10.671 1.00 73.24 N ATOM 1025 CD2 HIS A 72 6.657 -7.096 10.256 1.00 51.44 C ATOM 1026 CE1 HIS A 72 6.911 -5.510 11.730 1.00 14.20 C ATOM 1027 NE2 HIS A 72 7.131 -6.795 11.494 1.00 40.12 N ATOM 0 H HIS A 72 7.609 -6.870 7.646 1.00 15.00 H new ATOM 0 HA HIS A 72 5.750 -5.261 6.349 1.00 34.23 H new ATOM 0 HB2 HIS A 72 4.677 -4.968 8.557 1.00 62.12 H new ATOM 0 HB3 HIS A 72 4.960 -6.637 8.106 1.00 62.12 H new ATOM 0 HD2 HIS A 72 6.684 -8.064 9.778 1.00 51.44 H new ATOM 0 HE1 HIS A 72 7.176 -4.983 12.635 1.00 14.20 H new ATOM 0 HE2 HIS A 72 7.581 -7.449 12.134 1.00 40.12 H new ATOM 1036 N LYS A 73 7.969 -3.747 8.338 1.00 44.33 N ATOM 1037 CA LYS A 73 8.513 -2.438 8.641 1.00 53.24 C ATOM 1038 C LYS A 73 9.022 -1.756 7.390 1.00 3.33 C ATOM 1039 O LYS A 73 8.738 -0.594 7.208 1.00 1.32 O ATOM 1040 CB LYS A 73 9.594 -2.390 9.745 1.00 51.45 C ATOM 1041 CG LYS A 73 10.770 -3.350 9.562 1.00 63.14 C ATOM 1042 CD LYS A 73 11.791 -3.258 10.712 1.00 23.54 C ATOM 1043 CE LYS A 73 12.620 -1.962 10.717 1.00 31.01 C ATOM 1044 NZ LYS A 73 13.457 -1.873 9.507 1.00 23.14 N ATOM 0 H LYS A 73 8.451 -4.530 8.780 1.00 44.33 H new ATOM 0 HA LYS A 73 7.663 -1.896 9.055 1.00 53.24 H new ATOM 0 HB2 LYS A 73 9.984 -1.374 9.803 1.00 51.45 H new ATOM 0 HB3 LYS A 73 9.119 -2.604 10.703 1.00 51.45 H new ATOM 0 HG2 LYS A 73 10.394 -4.371 9.495 1.00 63.14 H new ATOM 0 HG3 LYS A 73 11.270 -3.131 8.618 1.00 63.14 H new ATOM 0 HD2 LYS A 73 11.261 -3.341 11.661 1.00 23.54 H new ATOM 0 HD3 LYS A 73 12.469 -4.109 10.650 1.00 23.54 H new ATOM 0 HE2 LYS A 73 11.955 -1.100 10.769 1.00 31.01 H new ATOM 0 HE3 LYS A 73 13.252 -1.932 11.605 1.00 31.01 H new ATOM 0 HZ1 LYS A 73 13.795 -0.896 9.389 1.00 23.14 H new ATOM 0 HZ2 LYS A 73 14.272 -2.512 9.601 1.00 23.14 H new ATOM 0 HZ3 LYS A 73 12.896 -2.148 8.676 1.00 23.14 H new ATOM 1058 N GLN A 74 9.758 -2.468 6.461 1.00 53.22 N ATOM 1059 CA GLN A 74 10.285 -1.790 5.255 1.00 14.12 C ATOM 1060 C GLN A 74 9.139 -1.314 4.425 1.00 3.32 C ATOM 1061 O GLN A 74 9.224 -0.273 3.813 1.00 54.42 O ATOM 1062 CB GLN A 74 11.173 -2.679 4.323 1.00 34.12 C ATOM 1063 CG GLN A 74 12.687 -2.501 4.536 1.00 4.32 C ATOM 1064 CD GLN A 74 13.084 -3.128 5.850 1.00 64.24 C ATOM 1065 OE1 GLN A 74 12.905 -2.535 6.916 1.00 70.33 O ATOM 1066 NE2 GLN A 74 13.635 -4.346 5.785 1.00 35.40 N ATOM 0 H GLN A 74 9.981 -3.461 6.533 1.00 53.22 H new ATOM 0 HA GLN A 74 10.916 -0.988 5.637 1.00 14.12 H new ATOM 0 HB2 GLN A 74 10.915 -3.726 4.485 1.00 34.12 H new ATOM 0 HB3 GLN A 74 10.934 -2.449 3.285 1.00 34.12 H new ATOM 0 HG2 GLN A 74 13.238 -2.965 3.718 1.00 4.32 H new ATOM 0 HG3 GLN A 74 12.944 -1.442 4.533 1.00 4.32 H new ATOM 0 HE21 GLN A 74 13.764 -4.800 4.881 1.00 35.40 H new ATOM 0 HE22 GLN A 74 13.926 -4.821 6.640 1.00 35.40 H new ATOM 1075 N ALA A 75 8.037 -2.070 4.387 1.00 4.31 N ATOM 1076 CA ALA A 75 6.877 -1.678 3.593 1.00 61.05 C ATOM 1077 C ALA A 75 6.395 -0.309 4.064 1.00 4.32 C ATOM 1078 O ALA A 75 6.011 0.530 3.257 1.00 41.11 O ATOM 1079 CB ALA A 75 5.719 -2.684 3.695 1.00 11.43 C ATOM 0 H ALA A 75 7.928 -2.949 4.893 1.00 4.31 H new ATOM 0 HA ALA A 75 7.189 -1.649 2.549 1.00 61.05 H new ATOM 0 HB1 ALA A 75 4.884 -2.341 3.084 1.00 11.43 H new ATOM 0 HB2 ALA A 75 6.052 -3.659 3.339 1.00 11.43 H new ATOM 0 HB3 ALA A 75 5.399 -2.766 4.734 1.00 11.43 H new ATOM 1085 N VAL A 76 6.470 -0.055 5.390 1.00 45.33 N ATOM 1086 CA VAL A 76 6.087 1.238 5.934 1.00 52.34 C ATOM 1087 C VAL A 76 7.188 2.234 5.572 1.00 12.34 C ATOM 1088 O VAL A 76 6.906 3.291 4.997 1.00 63.24 O ATOM 1089 CB VAL A 76 5.919 1.228 7.463 1.00 34.42 C ATOM 1090 CG1 VAL A 76 5.467 2.632 7.942 1.00 72.01 C ATOM 1091 CG2 VAL A 76 4.911 0.121 7.848 1.00 75.12 C ATOM 0 H VAL A 76 6.790 -0.730 6.085 1.00 45.33 H new ATOM 0 HA VAL A 76 5.120 1.508 5.510 1.00 52.34 H new ATOM 0 HB VAL A 76 6.865 1.006 7.957 1.00 34.42 H new ATOM 0 HG11 VAL A 76 5.348 2.626 9.025 1.00 72.01 H new ATOM 0 HG12 VAL A 76 6.219 3.371 7.664 1.00 72.01 H new ATOM 0 HG13 VAL A 76 4.516 2.888 7.474 1.00 72.01 H new ATOM 0 HG21 VAL A 76 4.784 0.105 8.930 1.00 75.12 H new ATOM 0 HG22 VAL A 76 3.951 0.322 7.373 1.00 75.12 H new ATOM 0 HG23 VAL A 76 5.286 -0.846 7.512 1.00 75.12 H new ATOM 1101 N CYS A 77 8.481 1.901 5.950 1.00 42.22 N ATOM 1102 CA CYS A 77 9.620 2.904 5.821 1.00 51.00 C ATOM 1103 C CYS A 77 9.676 3.390 4.359 1.00 34.20 C ATOM 1104 O CYS A 77 10.257 4.386 4.029 1.00 12.42 O ATOM 1105 CB CYS A 77 11.021 2.295 6.157 1.00 3.44 C ATOM 1106 SG CYS A 77 11.049 1.297 7.697 1.00 31.41 S ATOM 0 H CYS A 77 8.753 0.994 6.328 1.00 42.22 H new ATOM 0 HA CYS A 77 9.418 3.706 6.531 1.00 51.00 H new ATOM 0 HB2 CYS A 77 11.343 1.669 5.325 1.00 3.44 H new ATOM 0 HB3 CYS A 77 11.746 3.104 6.247 1.00 3.44 H new ATOM 0 HG CYS A 77 10.022 0.500 7.716 1.00 31.41 H new ATOM 1111 N THR A 78 9.251 2.512 3.437 1.00 45.11 N ATOM 1112 CA THR A 78 9.411 2.785 2.026 1.00 21.35 C ATOM 1113 C THR A 78 8.497 3.928 1.676 1.00 34.32 C ATOM 1114 O THR A 78 8.948 4.935 1.159 1.00 4.24 O ATOM 1115 CB THR A 78 9.137 1.595 1.126 1.00 63.33 C ATOM 1116 OG1 THR A 78 10.022 0.530 1.475 1.00 72.00 O ATOM 1117 CG2 THR A 78 9.404 2.015 -0.341 1.00 2.12 C ATOM 0 H THR A 78 8.801 1.622 3.653 1.00 45.11 H new ATOM 0 HA THR A 78 10.458 3.034 1.851 1.00 21.35 H new ATOM 0 HB THR A 78 8.104 1.266 1.242 1.00 63.33 H new ATOM 0 HG1 THR A 78 9.952 0.348 2.435 1.00 72.00 H new ATOM 0 HG21 THR A 78 9.212 1.170 -1.002 1.00 2.12 H new ATOM 0 HG22 THR A 78 8.746 2.842 -0.608 1.00 2.12 H new ATOM 0 HG23 THR A 78 10.442 2.329 -0.446 1.00 2.12 H new ATOM 1125 N LEU A 79 7.182 3.793 1.996 1.00 12.13 N ATOM 1126 CA LEU A 79 6.191 4.829 1.684 1.00 31.44 C ATOM 1127 C LEU A 79 6.657 6.139 2.275 1.00 33.03 C ATOM 1128 O LEU A 79 6.840 7.106 1.576 1.00 11.41 O ATOM 1129 CB LEU A 79 4.783 4.507 2.245 1.00 71.24 C ATOM 1130 CG LEU A 79 4.219 3.145 1.766 1.00 22.54 C ATOM 1131 CD1 LEU A 79 2.857 2.812 2.404 1.00 50.15 C ATOM 1132 CD2 LEU A 79 4.202 3.003 0.229 1.00 70.11 C ATOM 0 H LEU A 79 6.796 2.975 2.468 1.00 12.13 H new ATOM 0 HA LEU A 79 6.107 4.882 0.599 1.00 31.44 H new ATOM 0 HB2 LEU A 79 4.826 4.510 3.334 1.00 71.24 H new ATOM 0 HB3 LEU A 79 4.094 5.299 1.951 1.00 71.24 H new ATOM 0 HG LEU A 79 4.920 2.392 2.126 1.00 22.54 H new ATOM 0 HD11 LEU A 79 2.508 1.848 2.034 1.00 50.15 H new ATOM 0 HD12 LEU A 79 2.964 2.768 3.488 1.00 50.15 H new ATOM 0 HD13 LEU A 79 2.134 3.585 2.142 1.00 50.15 H new ATOM 0 HD21 LEU A 79 3.796 2.028 -0.042 1.00 70.11 H new ATOM 0 HD22 LEU A 79 3.580 3.787 -0.202 1.00 70.11 H new ATOM 0 HD23 LEU A 79 5.218 3.093 -0.156 1.00 70.11 H new ATOM 1144 N ARG A 80 6.901 6.148 3.582 1.00 73.02 N ATOM 1145 CA ARG A 80 7.426 7.340 4.273 1.00 14.42 C ATOM 1146 C ARG A 80 8.603 7.984 3.511 1.00 4.01 C ATOM 1147 O ARG A 80 8.606 9.195 3.311 1.00 1.51 O ATOM 1148 CB ARG A 80 7.890 7.047 5.707 1.00 43.33 C ATOM 1149 CG ARG A 80 6.749 6.565 6.622 1.00 32.15 C ATOM 1150 CD ARG A 80 7.188 6.357 8.077 1.00 43.10 C ATOM 1151 NE ARG A 80 7.796 7.650 8.556 1.00 24.52 N ATOM 1152 CZ ARG A 80 8.618 7.699 9.656 1.00 52.34 C ATOM 1153 NH1 ARG A 80 8.812 6.593 10.427 1.00 14.50 N ATOM 1154 NH2 ARG A 80 9.236 8.864 9.968 1.00 73.12 N ATOM 0 H ARG A 80 6.746 5.346 4.192 1.00 73.02 H new ATOM 0 HA ARG A 80 6.584 8.031 4.307 1.00 14.42 H new ATOM 0 HB2 ARG A 80 8.673 6.289 5.682 1.00 43.33 H new ATOM 0 HB3 ARG A 80 8.332 7.948 6.131 1.00 43.33 H new ATOM 0 HG2 ARG A 80 5.938 7.293 6.595 1.00 32.15 H new ATOM 0 HG3 ARG A 80 6.350 5.628 6.232 1.00 32.15 H new ATOM 0 HD2 ARG A 80 6.336 6.080 8.699 1.00 43.10 H new ATOM 0 HD3 ARG A 80 7.911 5.544 8.147 1.00 43.10 H new ATOM 0 HE ARG A 80 7.592 8.512 8.050 1.00 24.52 H new ATOM 0 HH11 ARG A 80 8.345 5.718 10.190 1.00 14.50 H new ATOM 0 HH12 ARG A 80 9.424 6.640 11.241 1.00 14.50 H new ATOM 0 HH21 ARG A 80 9.088 9.691 9.389 1.00 73.12 H new ATOM 0 HH22 ARG A 80 9.849 8.914 10.782 1.00 73.12 H new ATOM 1168 N ASN A 81 9.597 7.196 3.057 1.00 32.41 N ATOM 1169 CA ASN A 81 10.791 7.790 2.413 1.00 0.42 C ATOM 1170 C ASN A 81 10.527 8.091 0.934 1.00 14.43 C ATOM 1171 O ASN A 81 11.444 8.545 0.233 1.00 3.52 O ATOM 1172 CB ASN A 81 12.060 6.890 2.478 1.00 32.53 C ATOM 1173 CG ASN A 81 12.637 6.933 3.897 1.00 54.52 C ATOM 1174 OD1 ASN A 81 13.230 7.933 4.313 1.00 60.31 O ATOM 1175 ND2 ASN A 81 12.479 5.849 4.660 1.00 42.34 N ATOM 0 H ASN A 81 9.603 6.178 3.119 1.00 32.41 H new ATOM 0 HA ASN A 81 10.981 8.700 2.981 1.00 0.42 H new ATOM 0 HB2 ASN A 81 11.808 5.865 2.206 1.00 32.53 H new ATOM 0 HB3 ASN A 81 12.803 7.236 1.760 1.00 32.53 H new ATOM 0 HD21 ASN A 81 12.852 5.835 5.609 1.00 42.34 H new ATOM 0 HD22 ASN A 81 11.985 5.035 4.294 1.00 42.34 H new ATOM 1182 N THR A 82 9.291 7.868 0.414 1.00 11.15 N ATOM 1183 CA THR A 82 9.026 8.195 -1.001 1.00 73.41 C ATOM 1184 C THR A 82 8.726 9.691 -1.102 1.00 50.13 C ATOM 1185 O THR A 82 8.648 10.396 -0.091 1.00 22.45 O ATOM 1186 CB THR A 82 7.903 7.398 -1.678 1.00 1.23 C ATOM 1187 OG1 THR A 82 6.696 7.418 -0.919 1.00 32.44 O ATOM 1188 CG2 THR A 82 8.363 5.952 -1.921 1.00 62.34 C ATOM 0 H THR A 82 8.500 7.481 0.929 1.00 11.15 H new ATOM 0 HA THR A 82 9.927 7.909 -1.544 1.00 73.41 H new ATOM 0 HB THR A 82 7.687 7.876 -2.634 1.00 1.23 H new ATOM 0 HG1 THR A 82 6.841 6.966 -0.062 1.00 32.44 H new ATOM 0 HG21 THR A 82 7.562 5.391 -2.402 1.00 62.34 H new ATOM 0 HG22 THR A 82 9.242 5.953 -2.565 1.00 62.34 H new ATOM 0 HG23 THR A 82 8.612 5.484 -0.968 1.00 62.34 H new ATOM 1196 N GLY A 83 8.589 10.187 -2.353 1.00 63.41 N ATOM 1197 CA GLY A 83 8.377 11.601 -2.610 1.00 44.00 C ATOM 1198 C GLY A 83 6.935 11.943 -2.382 1.00 74.40 C ATOM 1199 O GLY A 83 6.186 11.197 -1.731 1.00 73.34 O ATOM 0 H GLY A 83 8.624 9.612 -3.195 1.00 63.41 H new ATOM 0 HA2 GLY A 83 9.011 12.199 -1.955 1.00 44.00 H new ATOM 0 HA3 GLY A 83 8.661 11.841 -3.635 1.00 44.00 H new ATOM 1203 N GLN A 84 6.515 13.113 -2.912 1.00 1.43 N ATOM 1204 CA GLN A 84 5.194 13.624 -2.671 1.00 45.24 C ATOM 1205 C GLN A 84 4.256 12.960 -3.631 1.00 61.24 C ATOM 1206 O GLN A 84 3.117 12.715 -3.292 1.00 42.42 O ATOM 1207 CB GLN A 84 5.066 15.169 -2.848 1.00 34.41 C ATOM 1208 CG GLN A 84 5.675 15.716 -4.152 1.00 42.23 C ATOM 1209 CD GLN A 84 5.270 17.174 -4.287 1.00 51.20 C ATOM 1210 OE1 GLN A 84 5.587 18.004 -3.427 1.00 62.33 O ATOM 1211 NE2 GLN A 84 4.554 17.509 -5.365 1.00 54.15 N ATOM 0 H GLN A 84 7.092 13.706 -3.509 1.00 1.43 H new ATOM 0 HA GLN A 84 4.956 13.408 -1.629 1.00 45.24 H new ATOM 0 HB2 GLN A 84 4.011 15.439 -2.814 1.00 34.41 H new ATOM 0 HB3 GLN A 84 5.549 15.660 -2.003 1.00 34.41 H new ATOM 0 HG2 GLN A 84 6.761 15.623 -4.133 1.00 42.23 H new ATOM 0 HG3 GLN A 84 5.320 15.142 -5.008 1.00 42.23 H new ATOM 0 HE21 GLN A 84 4.309 16.799 -6.056 1.00 54.15 H new ATOM 0 HE22 GLN A 84 4.252 18.474 -5.497 1.00 54.15 H new ATOM 1220 N VAL A 85 4.730 12.638 -4.846 1.00 44.51 N ATOM 1221 CA VAL A 85 3.904 11.934 -5.794 1.00 61.31 C ATOM 1222 C VAL A 85 4.605 10.640 -5.974 1.00 34.53 C ATOM 1223 O VAL A 85 5.816 10.613 -6.203 1.00 31.32 O ATOM 1224 CB VAL A 85 3.762 12.624 -7.151 1.00 30.11 C ATOM 1225 CG1 VAL A 85 2.885 11.745 -8.087 1.00 30.20 C ATOM 1226 CG2 VAL A 85 3.155 14.027 -6.918 1.00 24.41 C ATOM 0 H VAL A 85 5.670 12.858 -5.176 1.00 44.51 H new ATOM 0 HA VAL A 85 2.883 11.862 -5.418 1.00 61.31 H new ATOM 0 HB VAL A 85 4.729 12.746 -7.639 1.00 30.11 H new ATOM 0 HG11 VAL A 85 2.782 12.235 -9.055 1.00 30.20 H new ATOM 0 HG12 VAL A 85 3.358 10.772 -8.221 1.00 30.20 H new ATOM 0 HG13 VAL A 85 1.899 11.611 -7.642 1.00 30.20 H new ATOM 0 HG21 VAL A 85 3.044 14.539 -7.874 1.00 24.41 H new ATOM 0 HG22 VAL A 85 2.178 13.927 -6.445 1.00 24.41 H new ATOM 0 HG23 VAL A 85 3.814 14.606 -6.271 1.00 24.41 H new ATOM 1236 N VAL A 86 3.887 9.529 -5.801 1.00 25.44 N ATOM 1237 CA VAL A 86 4.500 8.246 -5.834 1.00 34.31 C ATOM 1238 C VAL A 86 3.619 7.433 -6.706 1.00 60.44 C ATOM 1239 O VAL A 86 2.423 7.678 -6.774 1.00 75.51 O ATOM 1240 CB VAL A 86 4.549 7.591 -4.453 1.00 2.22 C ATOM 1241 CG1 VAL A 86 5.470 6.343 -4.490 1.00 14.41 C ATOM 1242 CG2 VAL A 86 5.030 8.646 -3.447 1.00 0.44 C ATOM 0 H VAL A 86 2.880 9.516 -5.638 1.00 25.44 H new ATOM 0 HA VAL A 86 5.529 8.323 -6.184 1.00 34.31 H new ATOM 0 HB VAL A 86 3.563 7.240 -4.147 1.00 2.22 H new ATOM 0 HG11 VAL A 86 5.499 5.883 -3.502 1.00 14.41 H new ATOM 0 HG12 VAL A 86 5.082 5.626 -5.213 1.00 14.41 H new ATOM 0 HG13 VAL A 86 6.477 6.642 -4.780 1.00 14.41 H new ATOM 0 HG21 VAL A 86 5.075 8.205 -2.451 1.00 0.44 H new ATOM 0 HG22 VAL A 86 6.022 8.996 -3.733 1.00 0.44 H new ATOM 0 HG23 VAL A 86 4.336 9.486 -3.441 1.00 0.44 H new ATOM 1252 N HIS A 87 4.193 6.438 -7.380 1.00 1.41 N ATOM 1253 CA HIS A 87 3.398 5.499 -8.120 1.00 61.10 C ATOM 1254 C HIS A 87 3.357 4.298 -7.259 1.00 15.54 C ATOM 1255 O HIS A 87 4.387 3.794 -6.854 1.00 22.12 O ATOM 1256 CB HIS A 87 3.972 5.087 -9.491 1.00 52.32 C ATOM 1257 CG HIS A 87 3.846 6.176 -10.517 1.00 21.53 C ATOM 1258 ND1 HIS A 87 3.295 5.964 -11.751 1.00 23.02 N ATOM 1259 CD2 HIS A 87 4.196 7.475 -10.453 1.00 22.45 C ATOM 1260 CE1 HIS A 87 3.306 7.112 -12.416 1.00 3.13 C ATOM 1261 NE2 HIS A 87 3.852 8.043 -11.638 1.00 4.43 N ATOM 0 H HIS A 87 5.199 6.274 -7.420 1.00 1.41 H new ATOM 0 HA HIS A 87 2.434 5.956 -8.344 1.00 61.10 H new ATOM 0 HB2 HIS A 87 5.023 4.820 -9.376 1.00 52.32 H new ATOM 0 HB3 HIS A 87 3.454 4.196 -9.846 1.00 52.32 H new ATOM 0 HD1 HIS A 87 2.937 5.075 -12.100 1.00 23.02 H new ATOM 0 HD2 HIS A 87 4.663 7.972 -9.616 1.00 22.45 H new ATOM 0 HE1 HIS A 87 2.935 7.265 -13.419 1.00 3.13 H new ATOM 1270 N LEU A 88 2.164 3.855 -6.924 1.00 3.33 N ATOM 1271 CA LEU A 88 2.004 2.705 -6.088 1.00 72.51 C ATOM 1272 C LEU A 88 1.355 1.715 -6.954 1.00 52.54 C ATOM 1273 O LEU A 88 0.511 2.074 -7.764 1.00 62.10 O ATOM 1274 CB LEU A 88 1.117 2.959 -4.851 1.00 24.40 C ATOM 1275 CG LEU A 88 1.693 4.060 -3.928 1.00 61.33 C ATOM 1276 CD1 LEU A 88 0.694 4.511 -2.873 1.00 34.42 C ATOM 1277 CD2 LEU A 88 3.059 3.691 -3.325 1.00 11.52 C ATOM 0 H LEU A 88 1.289 4.284 -7.226 1.00 3.33 H new ATOM 0 HA LEU A 88 2.969 2.392 -5.690 1.00 72.51 H new ATOM 0 HB2 LEU A 88 0.118 3.248 -5.177 1.00 24.40 H new ATOM 0 HB3 LEU A 88 1.013 2.033 -4.286 1.00 24.40 H new ATOM 0 HG LEU A 88 1.878 4.921 -4.571 1.00 61.33 H new ATOM 0 HD11 LEU A 88 1.146 5.284 -2.251 1.00 34.42 H new ATOM 0 HD12 LEU A 88 -0.195 4.911 -3.361 1.00 34.42 H new ATOM 0 HD13 LEU A 88 0.414 3.661 -2.250 1.00 34.42 H new ATOM 0 HD21 LEU A 88 3.407 4.504 -2.688 1.00 11.52 H new ATOM 0 HD22 LEU A 88 2.961 2.782 -2.732 1.00 11.52 H new ATOM 0 HD23 LEU A 88 3.778 3.525 -4.127 1.00 11.52 H new ATOM 1289 N LEU A 89 1.787 0.464 -6.865 1.00 45.32 N ATOM 1290 CA LEU A 89 1.291 -0.539 -7.754 1.00 25.21 C ATOM 1291 C LEU A 89 0.503 -1.468 -6.909 1.00 3.34 C ATOM 1292 O LEU A 89 1.011 -1.971 -5.887 1.00 64.42 O ATOM 1293 CB LEU A 89 2.432 -1.321 -8.435 1.00 45.42 C ATOM 1294 CG LEU A 89 2.031 -2.099 -9.698 1.00 21.44 C ATOM 1295 CD1 LEU A 89 1.433 -1.188 -10.781 1.00 74.20 C ATOM 1296 CD2 LEU A 89 3.203 -2.904 -10.251 1.00 50.32 C ATOM 0 H LEU A 89 2.475 0.136 -6.187 1.00 45.32 H new ATOM 0 HA LEU A 89 0.702 -0.081 -8.549 1.00 25.21 H new ATOM 0 HB2 LEU A 89 3.225 -0.621 -8.696 1.00 45.42 H new ATOM 0 HB3 LEU A 89 2.851 -2.023 -7.714 1.00 45.42 H new ATOM 0 HG LEU A 89 1.249 -2.797 -9.398 1.00 21.44 H new ATOM 0 HD11 LEU A 89 1.166 -1.786 -11.653 1.00 74.20 H new ATOM 0 HD12 LEU A 89 0.542 -0.696 -10.391 1.00 74.20 H new ATOM 0 HD13 LEU A 89 2.166 -0.435 -11.068 1.00 74.20 H new ATOM 0 HD21 LEU A 89 2.885 -3.442 -11.144 1.00 50.32 H new ATOM 0 HD22 LEU A 89 4.020 -2.229 -10.506 1.00 50.32 H new ATOM 0 HD23 LEU A 89 3.542 -3.617 -9.499 1.00 50.32 H new ATOM 1308 N LEU A 90 -0.762 -1.695 -7.278 1.00 23.44 N ATOM 1309 CA LEU A 90 -1.623 -2.493 -6.462 1.00 62.54 C ATOM 1310 C LEU A 90 -2.267 -3.469 -7.373 1.00 63.21 C ATOM 1311 O LEU A 90 -2.362 -3.242 -8.582 1.00 21.43 O ATOM 1312 CB LEU A 90 -2.723 -1.712 -5.700 1.00 40.44 C ATOM 1313 CG LEU A 90 -2.157 -0.710 -4.654 1.00 20.42 C ATOM 1314 CD1 LEU A 90 -1.820 0.670 -5.244 1.00 55.31 C ATOM 1315 CD2 LEU A 90 -3.040 -0.600 -3.410 1.00 65.13 C ATOM 0 H LEU A 90 -1.190 -1.333 -8.130 1.00 23.44 H new ATOM 0 HA LEU A 90 -1.013 -2.947 -5.681 1.00 62.54 H new ATOM 0 HB2 LEU A 90 -3.336 -1.168 -6.419 1.00 40.44 H new ATOM 0 HB3 LEU A 90 -3.378 -2.422 -5.195 1.00 40.44 H new ATOM 0 HG LEU A 90 -1.207 -1.137 -4.334 1.00 20.42 H new ATOM 0 HD11 LEU A 90 -1.431 1.317 -4.458 1.00 55.31 H new ATOM 0 HD12 LEU A 90 -1.070 0.558 -6.026 1.00 55.31 H new ATOM 0 HD13 LEU A 90 -2.721 1.115 -5.667 1.00 55.31 H new ATOM 0 HD21 LEU A 90 -2.599 0.112 -2.713 1.00 65.13 H new ATOM 0 HD22 LEU A 90 -4.034 -0.258 -3.698 1.00 65.13 H new ATOM 0 HD23 LEU A 90 -3.117 -1.576 -2.931 1.00 65.13 H new ATOM 1327 N GLU A 91 -2.663 -4.619 -6.816 1.00 42.35 N ATOM 1328 CA GLU A 91 -3.267 -5.657 -7.590 1.00 42.02 C ATOM 1329 C GLU A 91 -4.566 -5.912 -6.940 1.00 73.41 C ATOM 1330 O GLU A 91 -4.644 -6.018 -5.712 1.00 22.34 O ATOM 1331 CB GLU A 91 -2.461 -6.972 -7.556 1.00 60.14 C ATOM 1332 CG GLU A 91 -3.035 -8.101 -8.425 1.00 64.34 C ATOM 1333 CD GLU A 91 -2.263 -9.337 -8.086 1.00 2.33 C ATOM 1334 OE1 GLU A 91 -2.362 -9.785 -6.929 1.00 31.11 O ATOM 1335 OE2 GLU A 91 -1.529 -9.846 -8.945 1.00 4.15 O ATOM 0 H GLU A 91 -2.566 -4.835 -5.824 1.00 42.35 H new ATOM 0 HA GLU A 91 -3.334 -5.347 -8.633 1.00 42.02 H new ATOM 0 HB2 GLU A 91 -1.441 -6.765 -7.880 1.00 60.14 H new ATOM 0 HB3 GLU A 91 -2.403 -7.320 -6.525 1.00 60.14 H new ATOM 0 HG2 GLU A 91 -4.097 -8.241 -8.226 1.00 64.34 H new ATOM 0 HG3 GLU A 91 -2.938 -7.862 -9.484 1.00 64.34 H new