USER MOD reduce.3.24.130724 H: found=0, std=0, add=667, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 669 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 94 SER OG : rot 84:sc= 0.433 USER MOD Set 1.2: A 120 HIS : no HE2:sc= 0.404 K(o=0.84,f=-7.3!) USER MOD Set 2.1: A 67 MET CE :methyl 151:sc= 0 (180deg=-0.171) USER MOD Set 2.2: A 90 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 72 GLN : amide:sc= -0.36 X(o=-0.39,f=-0.1) USER MOD Set 3.2: A 81 THR OG1 : rot 128:sc= -0.0303 USER MOD Set 4.1: A 38 TYR OH : rot 180:sc= -0.108 USER MOD Set 4.2: A 58 GLN : amide:sc= -0.321 K(o=-0.43,f=-1.2!) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.519 USER MOD Single : A 45 TYR OH : rot 32:sc= 1.24 USER MOD Single : A 47 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00279) USER MOD Single : A 53 MET CE :methyl 137:sc= -0.24 (180deg=-0.872) USER MOD Single : A 65 MET CE :methyl -159:sc= -0.222 (180deg=-0.893) USER MOD Single : A 70 SER OG : rot -120:sc= -0.0156 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot -86:sc= -0.0232 USER MOD Single : A 85 TYR OH : rot 79:sc= 0.0229 USER MOD Single : A 95 TYR OH : rot -174:sc= 1.1 USER MOD Single : A 107 GLN : amide:sc= -1.25 K(o=-1.2,f=-7.9!) USER MOD Single : A 112 GLN : amide:sc= 0.938 K(o=0.94,f=-0.79) USER MOD Single : A 117 LYS NZ :NH3+ -170:sc= 1.08 (180deg=0.76) USER MOD Single : A 119 ASN : amide:sc= -0.48 X(o=-0.48,f=-0.56) USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 100 N LEU A 36 3.578 -10.362 1.818 1.00 0.00 N ATOM 101 CA LEU A 36 2.166 -10.573 1.553 1.00 0.00 C ATOM 102 C LEU A 36 1.524 -9.332 0.969 1.00 0.00 C ATOM 103 O LEU A 36 1.859 -8.208 1.335 1.00 0.00 O ATOM 104 CB LEU A 36 1.427 -10.937 2.847 1.00 0.00 C ATOM 105 CG LEU A 36 1.046 -12.419 2.952 1.00 0.00 C ATOM 106 CD1 LEU A 36 0.318 -12.578 4.280 1.00 0.00 C ATOM 107 CD2 LEU A 36 0.068 -12.853 1.851 1.00 0.00 C ATOM 0 HA LEU A 36 2.091 -11.389 0.834 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.054 -10.673 3.698 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.522 -10.334 2.918 1.00 0.00 H new ATOM 0 HG LEU A 36 1.949 -13.023 2.862 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.021 -13.619 4.410 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.980 -12.285 5.095 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.569 -11.944 4.287 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.169 -13.910 1.971 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.847 -12.265 1.925 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.525 -12.692 0.874 1.00 0.00 H new ATOM 119 N PHE A 37 0.542 -9.551 0.104 1.00 0.00 N ATOM 120 CA PHE A 37 0.005 -8.506 -0.756 1.00 0.00 C ATOM 121 C PHE A 37 -1.463 -8.803 -1.051 1.00 0.00 C ATOM 122 O PHE A 37 -1.834 -9.955 -1.302 1.00 0.00 O ATOM 123 CB PHE A 37 0.836 -8.415 -2.047 1.00 0.00 C ATOM 124 CG PHE A 37 0.668 -7.123 -2.830 1.00 0.00 C ATOM 125 CD1 PHE A 37 -0.489 -6.899 -3.598 1.00 0.00 C ATOM 126 CD2 PHE A 37 1.682 -6.141 -2.818 1.00 0.00 C ATOM 127 CE1 PHE A 37 -0.629 -5.707 -4.327 1.00 0.00 C ATOM 128 CE2 PHE A 37 1.558 -4.967 -3.575 1.00 0.00 C ATOM 129 CZ PHE A 37 0.409 -4.764 -4.350 1.00 0.00 C ATOM 0 H PHE A 37 0.095 -10.459 -0.021 1.00 0.00 H new ATOM 0 HA PHE A 37 0.065 -7.540 -0.255 1.00 0.00 H new ATOM 0 HB2 PHE A 37 1.889 -8.533 -1.792 1.00 0.00 H new ATOM 0 HB3 PHE A 37 0.568 -9.251 -2.693 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -1.270 -7.644 -3.627 1.00 0.00 H new ATOM 0 HD2 PHE A 37 2.566 -6.296 -2.217 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -1.541 -5.515 -4.873 1.00 0.00 H new ATOM 0 HE2 PHE A 37 2.343 -4.225 -3.561 1.00 0.00 H new ATOM 0 HZ PHE A 37 0.322 -3.881 -4.966 1.00 0.00 H new ATOM 139 N TYR A 38 -2.283 -7.757 -1.044 1.00 0.00 N ATOM 140 CA TYR A 38 -3.725 -7.782 -1.254 1.00 0.00 C ATOM 141 C TYR A 38 -4.096 -6.552 -2.108 1.00 0.00 C ATOM 142 O TYR A 38 -3.211 -5.809 -2.543 1.00 0.00 O ATOM 143 CB TYR A 38 -4.422 -7.757 0.118 1.00 0.00 C ATOM 144 CG TYR A 38 -4.015 -8.817 1.137 1.00 0.00 C ATOM 145 CD1 TYR A 38 -2.834 -8.643 1.887 1.00 0.00 C ATOM 146 CD2 TYR A 38 -4.843 -9.930 1.403 1.00 0.00 C ATOM 147 CE1 TYR A 38 -2.465 -9.578 2.868 1.00 0.00 C ATOM 148 CE2 TYR A 38 -4.519 -10.827 2.436 1.00 0.00 C ATOM 149 CZ TYR A 38 -3.322 -10.659 3.163 1.00 0.00 C ATOM 150 OH TYR A 38 -2.990 -11.505 4.171 1.00 0.00 O ATOM 0 H TYR A 38 -1.936 -6.812 -0.882 1.00 0.00 H new ATOM 0 HA TYR A 38 -4.046 -8.683 -1.777 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -4.249 -6.778 0.565 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -5.495 -7.846 -0.049 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -2.207 -7.783 1.705 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -5.730 -10.093 0.809 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -1.528 -9.470 3.395 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -5.185 -11.643 2.672 1.00 0.00 H new ATOM 0 HH TYR A 38 -3.677 -12.199 4.256 1.00 0.00 H new ATOM 160 N THR A 39 -5.381 -6.290 -2.351 1.00 0.00 N ATOM 161 CA THR A 39 -5.843 -5.128 -3.105 1.00 0.00 C ATOM 162 C THR A 39 -7.117 -4.557 -2.483 1.00 0.00 C ATOM 163 O THR A 39 -7.664 -5.172 -1.562 1.00 0.00 O ATOM 164 CB THR A 39 -6.066 -5.500 -4.593 1.00 0.00 C ATOM 165 OG1 THR A 39 -7.212 -6.313 -4.677 1.00 0.00 O ATOM 166 CG2 THR A 39 -4.869 -6.182 -5.264 1.00 0.00 C ATOM 0 H THR A 39 -6.139 -6.889 -2.024 1.00 0.00 H new ATOM 0 HA THR A 39 -5.074 -4.357 -3.062 1.00 0.00 H new ATOM 0 HB THR A 39 -6.198 -4.569 -5.143 1.00 0.00 H new ATOM 0 HG1 THR A 39 -7.371 -6.558 -5.612 1.00 0.00 H new ATOM 0 HG21 THR A 39 -5.113 -6.407 -6.302 1.00 0.00 H new ATOM 0 HG22 THR A 39 -4.006 -5.518 -5.230 1.00 0.00 H new ATOM 0 HG23 THR A 39 -4.636 -7.108 -4.738 1.00 0.00 H new ATOM 174 N PRO A 40 -7.625 -3.414 -2.979 1.00 0.00 N ATOM 175 CA PRO A 40 -8.915 -2.900 -2.569 1.00 0.00 C ATOM 176 C PRO A 40 -10.133 -3.811 -2.770 1.00 0.00 C ATOM 177 O PRO A 40 -11.198 -3.420 -2.296 1.00 0.00 O ATOM 178 CB PRO A 40 -9.100 -1.537 -3.227 1.00 0.00 C ATOM 179 CG PRO A 40 -7.964 -1.415 -4.226 1.00 0.00 C ATOM 180 CD PRO A 40 -6.907 -2.374 -3.703 1.00 0.00 C ATOM 0 HA PRO A 40 -8.884 -2.829 -1.482 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -10.068 -1.468 -3.723 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -9.062 -0.736 -2.489 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -8.286 -1.686 -5.231 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -7.586 -0.394 -4.277 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -6.328 -2.799 -4.522 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -6.204 -1.859 -3.049 1.00 0.00 H new ATOM 188 N GLY A 41 -10.016 -5.045 -3.288 1.00 0.00 N ATOM 189 CA GLY A 41 -11.098 -6.005 -3.137 1.00 0.00 C ATOM 190 C GLY A 41 -10.770 -7.111 -2.166 1.00 0.00 C ATOM 191 O GLY A 41 -11.621 -7.494 -1.379 1.00 0.00 O ATOM 0 H GLY A 41 -9.202 -5.386 -3.800 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -11.994 -5.485 -2.798 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -11.330 -6.439 -4.109 1.00 0.00 H new ATOM 195 N GLU A 42 -9.565 -7.662 -2.184 1.00 0.00 N ATOM 196 CA GLU A 42 -9.371 -8.956 -1.545 1.00 0.00 C ATOM 197 C GLU A 42 -9.207 -8.861 -0.021 1.00 0.00 C ATOM 198 O GLU A 42 -9.147 -9.878 0.665 1.00 0.00 O ATOM 199 CB GLU A 42 -8.286 -9.765 -2.245 1.00 0.00 C ATOM 200 CG GLU A 42 -7.041 -9.071 -2.759 1.00 0.00 C ATOM 201 CD GLU A 42 -6.025 -9.976 -3.449 1.00 0.00 C ATOM 202 OE1 GLU A 42 -5.558 -10.955 -2.826 1.00 0.00 O ATOM 203 OE2 GLU A 42 -5.622 -9.658 -4.588 1.00 0.00 O ATOM 0 H GLU A 42 -8.736 -7.254 -2.616 1.00 0.00 H new ATOM 0 HA GLU A 42 -10.294 -9.521 -1.672 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -7.962 -10.542 -1.552 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -8.751 -10.267 -3.093 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -7.343 -8.292 -3.459 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -6.550 -8.575 -1.922 1.00 0.00 H new ATOM 210 N ILE A 43 -9.204 -7.651 0.530 1.00 0.00 N ATOM 211 CA ILE A 43 -9.343 -7.403 1.959 1.00 0.00 C ATOM 212 C ILE A 43 -10.839 -7.399 2.363 1.00 0.00 C ATOM 213 O ILE A 43 -11.143 -7.616 3.539 1.00 0.00 O ATOM 214 CB ILE A 43 -8.546 -6.118 2.317 1.00 0.00 C ATOM 215 CG1 ILE A 43 -7.072 -6.267 1.838 1.00 0.00 C ATOM 216 CG2 ILE A 43 -8.735 -5.756 3.803 1.00 0.00 C ATOM 217 CD1 ILE A 43 -6.071 -5.333 2.510 1.00 0.00 C ATOM 0 H ILE A 43 -9.102 -6.797 -0.018 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.908 -8.205 2.555 1.00 0.00 H new ATOM 0 HB ILE A 43 -8.937 -5.253 1.781 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.754 -7.296 2.008 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -7.038 -6.096 0.762 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -8.169 -4.853 4.032 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -9.792 -5.582 4.003 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -8.378 -6.576 4.426 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -5.075 -5.516 2.107 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -6.355 -4.298 2.320 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -6.067 -5.516 3.584 1.00 0.00 H new ATOM 229 N LEU A 44 -11.783 -7.241 1.422 1.00 0.00 N ATOM 230 CA LEU A 44 -13.232 -7.350 1.661 1.00 0.00 C ATOM 231 C LEU A 44 -13.750 -8.719 1.232 1.00 0.00 C ATOM 232 O LEU A 44 -14.492 -9.372 1.962 1.00 0.00 O ATOM 233 CB LEU A 44 -14.077 -6.252 0.980 1.00 0.00 C ATOM 234 CG LEU A 44 -13.374 -4.959 0.548 1.00 0.00 C ATOM 235 CD1 LEU A 44 -14.351 -4.072 -0.209 1.00 0.00 C ATOM 236 CD2 LEU A 44 -12.823 -4.165 1.732 1.00 0.00 C ATOM 0 H LEU A 44 -11.555 -7.029 0.451 1.00 0.00 H new ATOM 0 HA LEU A 44 -13.350 -7.214 2.736 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -14.541 -6.690 0.096 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -14.883 -5.981 1.662 1.00 0.00 H new ATOM 0 HG LEU A 44 -12.536 -5.253 -0.084 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -13.848 -3.154 -0.514 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -14.712 -4.599 -1.092 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -15.194 -3.826 0.436 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -12.336 -3.260 1.368 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -13.640 -3.894 2.400 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -12.099 -4.774 2.273 1.00 0.00 H new ATOM 248 N TYR A 45 -13.362 -9.139 0.031 1.00 0.00 N ATOM 249 CA TYR A 45 -13.866 -10.317 -0.650 1.00 0.00 C ATOM 250 C TYR A 45 -13.060 -11.575 -0.247 1.00 0.00 C ATOM 251 O TYR A 45 -13.614 -12.675 -0.235 1.00 0.00 O ATOM 252 CB TYR A 45 -13.841 -10.045 -2.168 1.00 0.00 C ATOM 253 CG TYR A 45 -14.817 -8.990 -2.714 1.00 0.00 C ATOM 254 CD1 TYR A 45 -14.642 -7.604 -2.496 1.00 0.00 C ATOM 255 CD2 TYR A 45 -15.891 -9.397 -3.529 1.00 0.00 C ATOM 256 CE1 TYR A 45 -15.521 -6.663 -3.064 1.00 0.00 C ATOM 257 CE2 TYR A 45 -16.787 -8.466 -4.083 1.00 0.00 C ATOM 258 CZ TYR A 45 -16.601 -7.087 -3.863 1.00 0.00 C ATOM 259 OH TYR A 45 -17.431 -6.185 -4.456 1.00 0.00 O ATOM 0 H TYR A 45 -12.657 -8.643 -0.514 1.00 0.00 H new ATOM 0 HA TYR A 45 -14.895 -10.521 -0.354 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -12.830 -9.741 -2.439 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -14.039 -10.985 -2.682 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -13.821 -7.262 -1.884 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -16.029 -10.448 -3.733 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -15.367 -5.609 -2.886 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -17.620 -8.809 -4.679 1.00 0.00 H new ATOM 0 HH TYR A 45 -16.927 -5.376 -4.683 1.00 0.00 H new ATOM 269 N GLY A 46 -11.791 -11.436 0.162 1.00 0.00 N ATOM 270 CA GLY A 46 -10.893 -12.530 0.554 1.00 0.00 C ATOM 271 C GLY A 46 -9.736 -12.647 -0.437 1.00 0.00 C ATOM 272 O GLY A 46 -9.927 -12.367 -1.624 1.00 0.00 O ATOM 0 H GLY A 46 -11.345 -10.521 0.231 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -10.505 -12.350 1.557 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -11.446 -13.468 0.590 1.00 0.00 H new ATOM 276 N LYS A 47 -8.536 -13.028 0.030 1.00 0.00 N ATOM 277 CA LYS A 47 -7.335 -13.069 -0.797 1.00 0.00 C ATOM 278 C LYS A 47 -7.506 -13.953 -2.009 1.00 0.00 C ATOM 279 O LYS A 47 -7.938 -15.093 -1.836 1.00 0.00 O ATOM 280 CB LYS A 47 -6.154 -13.495 0.041 1.00 0.00 C ATOM 281 CG LYS A 47 -4.870 -13.369 -0.786 1.00 0.00 C ATOM 282 CD LYS A 47 -3.700 -13.565 0.134 1.00 0.00 C ATOM 283 CE LYS A 47 -2.308 -13.330 -0.452 1.00 0.00 C ATOM 284 NZ LYS A 47 -2.105 -13.912 -1.791 1.00 0.00 N ATOM 0 H LYS A 47 -8.379 -13.316 0.996 1.00 0.00 H new ATOM 0 HA LYS A 47 -7.151 -12.065 -1.179 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -6.086 -12.875 0.935 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -6.284 -14.524 0.376 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.856 -14.113 -1.583 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.819 -12.390 -1.263 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.825 -12.898 0.987 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -3.738 -14.585 0.518 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.126 -12.257 -0.504 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -1.565 -13.747 0.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.133 -13.723 -2.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.262 -14.939 -1.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -2.777 -13.485 -2.461 1.00 0.00 H new ATOM 385 N MET A 53 -7.844 -14.166 4.955 1.00 0.00 N ATOM 386 CA MET A 53 -8.093 -12.746 5.166 1.00 0.00 C ATOM 387 C MET A 53 -6.875 -12.145 5.881 1.00 0.00 C ATOM 388 O MET A 53 -6.310 -12.807 6.766 1.00 0.00 O ATOM 389 CB MET A 53 -9.332 -12.588 6.063 1.00 0.00 C ATOM 390 CG MET A 53 -10.617 -12.464 5.239 1.00 0.00 C ATOM 391 SD MET A 53 -11.265 -10.771 5.231 1.00 0.00 S ATOM 392 CE MET A 53 -11.997 -10.721 3.579 1.00 0.00 C ATOM 0 HA MET A 53 -8.260 -12.241 4.215 1.00 0.00 H new ATOM 0 HB2 MET A 53 -9.409 -13.446 6.731 1.00 0.00 H new ATOM 0 HB3 MET A 53 -9.216 -11.705 6.691 1.00 0.00 H new ATOM 0 HG2 MET A 53 -10.422 -12.781 4.215 1.00 0.00 H new ATOM 0 HG3 MET A 53 -11.372 -13.138 5.643 1.00 0.00 H new ATOM 0 HE1 MET A 53 -12.971 -10.233 3.627 1.00 0.00 H new ATOM 0 HE2 MET A 53 -11.344 -10.163 2.908 1.00 0.00 H new ATOM 0 HE3 MET A 53 -12.119 -11.737 3.204 1.00 0.00 H new ATOM 402 N PRO A 54 -6.502 -10.886 5.588 1.00 0.00 N ATOM 403 CA PRO A 54 -5.424 -10.205 6.285 1.00 0.00 C ATOM 404 C PRO A 54 -5.794 -10.045 7.755 1.00 0.00 C ATOM 405 O PRO A 54 -6.909 -9.649 8.106 1.00 0.00 O ATOM 406 CB PRO A 54 -5.252 -8.855 5.593 1.00 0.00 C ATOM 407 CG PRO A 54 -6.636 -8.582 5.018 1.00 0.00 C ATOM 408 CD PRO A 54 -7.188 -9.968 4.695 1.00 0.00 C ATOM 0 HA PRO A 54 -4.489 -10.763 6.251 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -4.947 -8.079 6.294 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -4.492 -8.896 4.813 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -7.269 -8.059 5.735 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -6.581 -7.958 4.126 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -8.266 -10.005 4.849 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -7.006 -10.228 3.652 1.00 0.00 H new ATOM 416 N GLU A 55 -4.834 -10.354 8.612 1.00 0.00 N ATOM 417 CA GLU A 55 -4.975 -10.296 10.046 1.00 0.00 C ATOM 418 C GLU A 55 -4.824 -8.823 10.435 1.00 0.00 C ATOM 419 O GLU A 55 -3.930 -8.126 9.953 1.00 0.00 O ATOM 420 CB GLU A 55 -3.947 -11.288 10.610 1.00 0.00 C ATOM 421 CG GLU A 55 -3.352 -11.042 11.994 1.00 0.00 C ATOM 422 CD GLU A 55 -2.227 -12.037 12.328 1.00 0.00 C ATOM 423 OE1 GLU A 55 -1.632 -12.647 11.405 1.00 0.00 O ATOM 424 OE2 GLU A 55 -1.896 -12.165 13.531 1.00 0.00 O ATOM 0 H GLU A 55 -3.909 -10.661 8.312 1.00 0.00 H new ATOM 0 HA GLU A 55 -5.936 -10.602 10.460 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -4.416 -12.272 10.625 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -3.120 -11.340 9.902 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -2.962 -10.025 12.045 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -4.138 -11.120 12.745 1.00 0.00 H new ATOM 431 N VAL A 56 -5.756 -8.318 11.241 1.00 0.00 N ATOM 432 CA VAL A 56 -5.842 -6.887 11.565 1.00 0.00 C ATOM 433 C VAL A 56 -4.690 -6.427 12.463 1.00 0.00 C ATOM 434 O VAL A 56 -4.445 -5.235 12.630 1.00 0.00 O ATOM 435 CB VAL A 56 -7.247 -6.570 12.102 1.00 0.00 C ATOM 436 CG1 VAL A 56 -7.581 -7.272 13.414 1.00 0.00 C ATOM 437 CG2 VAL A 56 -7.499 -5.078 12.286 1.00 0.00 C ATOM 0 H VAL A 56 -6.475 -8.885 11.690 1.00 0.00 H new ATOM 0 HA VAL A 56 -5.711 -6.295 10.659 1.00 0.00 H new ATOM 0 HB VAL A 56 -7.902 -6.956 11.321 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -8.588 -6.998 13.727 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -7.526 -8.351 13.273 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -6.868 -6.969 14.180 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -8.508 -4.924 12.667 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -6.777 -4.672 12.995 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -7.392 -4.570 11.328 1.00 0.00 H new ATOM 447 N GLY A 57 -3.939 -7.379 12.996 1.00 0.00 N ATOM 448 CA GLY A 57 -2.740 -7.151 13.758 1.00 0.00 C ATOM 449 C GLY A 57 -1.472 -7.291 12.928 1.00 0.00 C ATOM 450 O GLY A 57 -0.402 -7.203 13.528 1.00 0.00 O ATOM 0 H GLY A 57 -4.165 -8.369 12.900 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -2.776 -6.151 14.191 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -2.704 -7.857 14.588 1.00 0.00 H new ATOM 454 N GLN A 58 -1.535 -7.525 11.604 1.00 0.00 N ATOM 455 CA GLN A 58 -0.339 -7.904 10.852 1.00 0.00 C ATOM 456 C GLN A 58 0.139 -6.801 9.904 1.00 0.00 C ATOM 457 O GLN A 58 -0.583 -5.851 9.586 1.00 0.00 O ATOM 458 CB GLN A 58 -0.471 -9.274 10.156 1.00 0.00 C ATOM 459 CG GLN A 58 -1.256 -9.275 8.835 1.00 0.00 C ATOM 460 CD GLN A 58 -0.685 -10.167 7.738 1.00 0.00 C ATOM 461 OE1 GLN A 58 0.266 -10.922 7.917 1.00 0.00 O ATOM 462 NE2 GLN A 58 -1.263 -10.109 6.553 1.00 0.00 N ATOM 0 H GLN A 58 -2.387 -7.458 11.047 1.00 0.00 H new ATOM 0 HA GLN A 58 0.450 -8.026 11.594 1.00 0.00 H new ATOM 0 HB2 GLN A 58 0.529 -9.662 9.964 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -0.954 -9.967 10.845 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -2.279 -9.589 9.040 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -1.305 -8.253 8.460 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -2.054 -9.483 6.401 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -0.919 -10.691 5.789 1.00 0.00 H new ATOM 471 N ARG A 59 1.360 -6.986 9.401 1.00 0.00 N ATOM 472 CA ARG A 59 1.947 -6.178 8.345 1.00 0.00 C ATOM 473 C ARG A 59 1.504 -6.736 7.002 1.00 0.00 C ATOM 474 O ARG A 59 1.482 -7.959 6.838 1.00 0.00 O ATOM 475 CB ARG A 59 3.480 -6.093 8.490 1.00 0.00 C ATOM 476 CG ARG A 59 4.275 -7.377 8.192 1.00 0.00 C ATOM 477 CD ARG A 59 5.794 -7.131 8.211 1.00 0.00 C ATOM 478 NE ARG A 59 6.474 -7.825 9.310 1.00 0.00 N ATOM 479 CZ ARG A 59 7.783 -7.817 9.587 1.00 0.00 C ATOM 480 NH1 ARG A 59 8.677 -7.265 8.773 1.00 0.00 N ATOM 481 NH2 ARG A 59 8.184 -8.373 10.720 1.00 0.00 N ATOM 0 H ARG A 59 1.981 -7.725 9.730 1.00 0.00 H new ATOM 0 HA ARG A 59 1.593 -5.150 8.419 1.00 0.00 H new ATOM 0 HB2 ARG A 59 3.841 -5.307 7.827 1.00 0.00 H new ATOM 0 HB3 ARG A 59 3.709 -5.780 9.509 1.00 0.00 H new ATOM 0 HG2 ARG A 59 4.022 -8.140 8.929 1.00 0.00 H new ATOM 0 HG3 ARG A 59 3.983 -7.766 7.217 1.00 0.00 H new ATOM 0 HD2 ARG A 59 6.221 -7.458 7.263 1.00 0.00 H new ATOM 0 HD3 ARG A 59 5.982 -6.060 8.293 1.00 0.00 H new ATOM 0 HE ARG A 59 5.883 -8.375 9.933 1.00 0.00 H new ATOM 0 HH11 ARG A 59 8.373 -6.828 7.903 1.00 0.00 H new ATOM 0 HH12 ARG A 59 9.667 -7.278 9.018 1.00 0.00 H new ATOM 0 HH21 ARG A 59 7.502 -8.791 11.352 1.00 0.00 H new ATOM 0 HH22 ARG A 59 9.175 -8.383 10.960 1.00 0.00 H new ATOM 495 N LEU A 60 1.138 -5.890 6.041 1.00 0.00 N ATOM 496 CA LEU A 60 0.873 -6.279 4.670 1.00 0.00 C ATOM 497 C LEU A 60 1.016 -5.077 3.746 1.00 0.00 C ATOM 498 O LEU A 60 1.150 -3.934 4.196 1.00 0.00 O ATOM 499 CB LEU A 60 -0.497 -6.969 4.511 1.00 0.00 C ATOM 500 CG LEU A 60 -1.825 -6.334 4.981 1.00 0.00 C ATOM 501 CD1 LEU A 60 -1.931 -6.170 6.490 1.00 0.00 C ATOM 502 CD2 LEU A 60 -2.247 -5.019 4.332 1.00 0.00 C ATOM 0 H LEU A 60 1.016 -4.891 6.205 1.00 0.00 H new ATOM 0 HA LEU A 60 1.617 -7.022 4.383 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.615 -7.178 3.448 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.419 -7.930 5.019 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.522 -7.093 4.625 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.891 -5.718 6.740 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -1.854 -7.146 6.968 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.124 -5.528 6.844 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.195 -4.691 4.758 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.485 -4.261 4.516 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.362 -5.164 3.258 1.00 0.00 H new ATOM 514 N ARG A 61 0.931 -5.337 2.439 1.00 0.00 N ATOM 515 CA ARG A 61 0.856 -4.316 1.406 1.00 0.00 C ATOM 516 C ARG A 61 -0.400 -4.479 0.564 1.00 0.00 C ATOM 517 O ARG A 61 -0.980 -5.564 0.466 1.00 0.00 O ATOM 518 CB ARG A 61 2.148 -4.264 0.562 1.00 0.00 C ATOM 519 CG ARG A 61 2.965 -5.550 0.432 1.00 0.00 C ATOM 520 CD ARG A 61 4.207 -5.279 -0.414 1.00 0.00 C ATOM 521 NE ARG A 61 4.865 -6.523 -0.841 1.00 0.00 N ATOM 522 CZ ARG A 61 5.818 -6.568 -1.778 1.00 0.00 C ATOM 523 NH1 ARG A 61 6.300 -5.456 -2.320 1.00 0.00 N ATOM 524 NH2 ARG A 61 6.279 -7.736 -2.194 1.00 0.00 N ATOM 0 H ARG A 61 0.912 -6.287 2.067 1.00 0.00 H new ATOM 0 HA ARG A 61 0.778 -3.345 1.894 1.00 0.00 H new ATOM 0 HB2 ARG A 61 1.880 -3.934 -0.442 1.00 0.00 H new ATOM 0 HB3 ARG A 61 2.795 -3.497 0.987 1.00 0.00 H new ATOM 0 HG2 ARG A 61 3.255 -5.911 1.419 1.00 0.00 H new ATOM 0 HG3 ARG A 61 2.362 -6.332 -0.028 1.00 0.00 H new ATOM 0 HD2 ARG A 61 3.928 -4.697 -1.292 1.00 0.00 H new ATOM 0 HD3 ARG A 61 4.911 -4.675 0.158 1.00 0.00 H new ATOM 0 HE ARG A 61 4.580 -7.397 -0.399 1.00 0.00 H new ATOM 0 HH11 ARG A 61 5.943 -4.548 -2.023 1.00 0.00 H new ATOM 0 HH12 ARG A 61 7.027 -5.510 -3.034 1.00 0.00 H new ATOM 0 HH21 ARG A 61 5.908 -8.600 -1.800 1.00 0.00 H new ATOM 0 HH22 ARG A 61 7.006 -7.772 -2.909 1.00 0.00 H new ATOM 538 N VAL A 62 -0.796 -3.378 -0.061 1.00 0.00 N ATOM 539 CA VAL A 62 -1.959 -3.240 -0.911 1.00 0.00 C ATOM 540 C VAL A 62 -1.509 -2.534 -2.185 1.00 0.00 C ATOM 541 O VAL A 62 -0.694 -1.618 -2.125 1.00 0.00 O ATOM 542 CB VAL A 62 -3.043 -2.452 -0.147 1.00 0.00 C ATOM 543 CG1 VAL A 62 -4.276 -2.126 -0.997 1.00 0.00 C ATOM 544 CG2 VAL A 62 -3.512 -3.260 1.068 1.00 0.00 C ATOM 0 H VAL A 62 -0.276 -2.504 0.021 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.393 -4.203 -1.182 1.00 0.00 H new ATOM 0 HB VAL A 62 -2.578 -1.511 0.146 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -4.996 -1.571 -0.396 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -3.978 -1.522 -1.854 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -4.732 -3.052 -1.347 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -4.278 -2.699 1.604 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.926 -4.212 0.734 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.666 -3.445 1.731 1.00 0.00 H new ATOM 554 N GLY A 63 -2.062 -2.909 -3.335 1.00 0.00 N ATOM 555 CA GLY A 63 -1.912 -2.171 -4.578 1.00 0.00 C ATOM 556 C GLY A 63 -3.284 -1.901 -5.149 1.00 0.00 C ATOM 557 O GLY A 63 -4.082 -2.834 -5.279 1.00 0.00 O ATOM 0 H GLY A 63 -2.635 -3.748 -3.427 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -1.386 -1.233 -4.400 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -1.313 -2.743 -5.287 1.00 0.00 H new ATOM 561 N GLY A 64 -3.562 -0.640 -5.457 1.00 0.00 N ATOM 562 CA GLY A 64 -4.858 -0.194 -5.963 1.00 0.00 C ATOM 563 C GLY A 64 -4.761 1.198 -6.574 1.00 0.00 C ATOM 564 O GLY A 64 -3.675 1.782 -6.595 1.00 0.00 O ATOM 0 H GLY A 64 -2.883 0.115 -5.361 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -5.221 -0.898 -6.712 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -5.586 -0.188 -5.152 1.00 0.00 H new ATOM 568 N MET A 65 -5.882 1.740 -7.057 1.00 0.00 N ATOM 569 CA MET A 65 -5.931 3.009 -7.782 1.00 0.00 C ATOM 570 C MET A 65 -6.508 4.104 -6.892 1.00 0.00 C ATOM 571 O MET A 65 -7.523 3.876 -6.250 1.00 0.00 O ATOM 572 CB MET A 65 -6.787 2.811 -9.032 1.00 0.00 C ATOM 573 CG MET A 65 -6.424 3.798 -10.143 1.00 0.00 C ATOM 574 SD MET A 65 -7.209 3.474 -11.741 1.00 0.00 S ATOM 575 CE MET A 65 -6.546 1.817 -12.078 1.00 0.00 C ATOM 0 H MET A 65 -6.796 1.300 -6.952 1.00 0.00 H new ATOM 0 HA MET A 65 -4.927 3.319 -8.072 1.00 0.00 H new ATOM 0 HB2 MET A 65 -6.662 1.792 -9.398 1.00 0.00 H new ATOM 0 HB3 MET A 65 -7.839 2.929 -8.772 1.00 0.00 H new ATOM 0 HG2 MET A 65 -6.696 4.803 -9.819 1.00 0.00 H new ATOM 0 HG3 MET A 65 -5.342 3.788 -10.278 1.00 0.00 H new ATOM 0 HE1 MET A 65 -6.607 1.611 -13.147 1.00 0.00 H new ATOM 0 HE2 MET A 65 -5.505 1.770 -11.758 1.00 0.00 H new ATOM 0 HE3 MET A 65 -7.128 1.074 -11.532 1.00 0.00 H new ATOM 585 N VAL A 66 -5.856 5.258 -6.774 1.00 0.00 N ATOM 586 CA VAL A 66 -6.272 6.332 -5.865 1.00 0.00 C ATOM 587 C VAL A 66 -7.584 6.941 -6.381 1.00 0.00 C ATOM 588 O VAL A 66 -7.647 7.322 -7.554 1.00 0.00 O ATOM 589 CB VAL A 66 -5.155 7.392 -5.834 1.00 0.00 C ATOM 590 CG1 VAL A 66 -5.508 8.636 -5.009 1.00 0.00 C ATOM 591 CG2 VAL A 66 -3.862 6.799 -5.269 1.00 0.00 C ATOM 0 H VAL A 66 -5.017 5.479 -7.309 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.438 5.952 -4.857 1.00 0.00 H new ATOM 0 HB VAL A 66 -5.026 7.701 -6.871 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.674 9.337 -5.033 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -6.394 9.111 -5.429 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -5.707 8.344 -3.978 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.086 7.564 -5.256 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.038 6.443 -4.254 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.540 5.966 -5.894 1.00 0.00 H new ATOM 601 N MET A 67 -8.609 7.063 -5.530 1.00 0.00 N ATOM 602 CA MET A 67 -9.837 7.782 -5.879 1.00 0.00 C ATOM 603 C MET A 67 -9.575 9.288 -6.002 1.00 0.00 C ATOM 604 O MET A 67 -8.716 9.837 -5.306 1.00 0.00 O ATOM 605 CB MET A 67 -10.955 7.552 -4.841 1.00 0.00 C ATOM 606 CG MET A 67 -12.000 6.554 -5.359 1.00 0.00 C ATOM 607 SD MET A 67 -13.583 6.507 -4.488 1.00 0.00 S ATOM 608 CE MET A 67 -13.135 5.394 -3.129 1.00 0.00 C ATOM 0 H MET A 67 -8.611 6.670 -4.589 1.00 0.00 H new ATOM 0 HA MET A 67 -10.166 7.386 -6.840 1.00 0.00 H new ATOM 0 HB2 MET A 67 -10.522 7.179 -3.913 1.00 0.00 H new ATOM 0 HB3 MET A 67 -11.439 8.501 -4.608 1.00 0.00 H new ATOM 0 HG2 MET A 67 -12.195 6.780 -6.407 1.00 0.00 H new ATOM 0 HG3 MET A 67 -11.563 5.556 -5.324 1.00 0.00 H new ATOM 0 HE1 MET A 67 -13.739 5.628 -2.253 1.00 0.00 H new ATOM 0 HE2 MET A 67 -13.316 4.362 -3.429 1.00 0.00 H new ATOM 0 HE3 MET A 67 -12.080 5.522 -2.887 1.00 0.00 H new ATOM 618 N PRO A 68 -10.334 9.972 -6.871 1.00 0.00 N ATOM 619 CA PRO A 68 -10.407 11.418 -6.898 1.00 0.00 C ATOM 620 C PRO A 68 -11.243 11.896 -5.709 1.00 0.00 C ATOM 621 O PRO A 68 -12.283 11.319 -5.399 1.00 0.00 O ATOM 622 CB PRO A 68 -11.047 11.751 -8.247 1.00 0.00 C ATOM 623 CG PRO A 68 -11.924 10.538 -8.563 1.00 0.00 C ATOM 624 CD PRO A 68 -11.334 9.396 -7.756 1.00 0.00 C ATOM 0 HA PRO A 68 -9.440 11.913 -6.807 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -11.638 12.665 -8.191 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -10.292 11.907 -9.017 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -12.962 10.720 -8.286 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -11.914 10.312 -9.629 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -12.110 8.888 -7.183 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -10.884 8.652 -8.413 1.00 0.00 H new ATOM 632 N GLY A 69 -10.796 12.964 -5.047 1.00 0.00 N ATOM 633 CA GLY A 69 -11.402 13.426 -3.803 1.00 0.00 C ATOM 634 C GLY A 69 -11.298 12.365 -2.717 1.00 0.00 C ATOM 635 O GLY A 69 -12.317 11.923 -2.188 1.00 0.00 O ATOM 0 H GLY A 69 -10.006 13.530 -5.359 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -10.909 14.340 -3.472 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.449 13.674 -3.975 1.00 0.00 H new ATOM 639 N SER A 70 -10.079 11.938 -2.395 1.00 0.00 N ATOM 640 CA SER A 70 -9.818 11.189 -1.171 1.00 0.00 C ATOM 641 C SER A 70 -8.486 11.542 -0.515 1.00 0.00 C ATOM 642 O SER A 70 -8.354 11.405 0.694 1.00 0.00 O ATOM 643 CB SER A 70 -9.850 9.684 -1.439 1.00 0.00 C ATOM 644 OG SER A 70 -10.925 9.316 -2.269 1.00 0.00 O ATOM 0 H SER A 70 -9.252 12.100 -2.970 1.00 0.00 H new ATOM 0 HA SER A 70 -10.613 11.472 -0.481 1.00 0.00 H new ATOM 0 HB2 SER A 70 -8.913 9.379 -1.904 1.00 0.00 H new ATOM 0 HB3 SER A 70 -9.924 9.149 -0.492 1.00 0.00 H new ATOM 0 HG SER A 70 -11.503 8.683 -1.794 1.00 0.00 H new ATOM 650 N VAL A 71 -7.461 11.932 -1.275 1.00 0.00 N ATOM 651 CA VAL A 71 -6.123 12.159 -0.753 1.00 0.00 C ATOM 652 C VAL A 71 -6.031 13.482 0.036 1.00 0.00 C ATOM 653 O VAL A 71 -5.808 14.555 -0.534 1.00 0.00 O ATOM 654 CB VAL A 71 -5.067 11.877 -1.848 1.00 0.00 C ATOM 655 CG1 VAL A 71 -5.370 12.499 -3.212 1.00 0.00 C ATOM 656 CG2 VAL A 71 -3.626 12.112 -1.370 1.00 0.00 C ATOM 0 H VAL A 71 -7.543 12.099 -2.278 1.00 0.00 H new ATOM 0 HA VAL A 71 -5.874 11.434 0.022 1.00 0.00 H new ATOM 0 HB VAL A 71 -5.150 10.806 -2.031 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -4.574 12.246 -3.912 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -6.318 12.112 -3.586 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -5.434 13.582 -3.112 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -2.933 11.897 -2.184 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -3.510 13.150 -1.060 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -3.411 11.455 -0.527 1.00 0.00 H new ATOM 666 N GLN A 72 -6.178 13.385 1.365 1.00 0.00 N ATOM 667 CA GLN A 72 -6.196 14.412 2.423 1.00 0.00 C ATOM 668 C GLN A 72 -4.806 14.966 2.777 1.00 0.00 C ATOM 669 O GLN A 72 -4.530 15.325 3.929 1.00 0.00 O ATOM 670 CB GLN A 72 -6.844 13.826 3.694 1.00 0.00 C ATOM 671 CG GLN A 72 -8.162 13.099 3.394 1.00 0.00 C ATOM 672 CD GLN A 72 -9.077 12.880 4.598 1.00 0.00 C ATOM 673 OE1 GLN A 72 -9.641 11.805 4.782 1.00 0.00 O ATOM 674 NE2 GLN A 72 -9.260 13.869 5.454 1.00 0.00 N ATOM 0 H GLN A 72 -6.304 12.462 1.780 1.00 0.00 H new ATOM 0 HA GLN A 72 -6.775 15.248 2.030 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -6.149 13.132 4.167 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -7.029 14.629 4.408 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -8.709 13.668 2.642 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -7.931 12.129 2.954 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -8.794 14.764 5.306 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -9.867 13.738 6.263 1.00 0.00 H new ATOM 683 N ARG A 73 -3.902 14.954 1.804 1.00 0.00 N ATOM 684 CA ARG A 73 -2.516 15.425 1.951 1.00 0.00 C ATOM 685 C ARG A 73 -2.483 16.861 2.431 1.00 0.00 C ATOM 686 O ARG A 73 -3.335 17.664 2.054 1.00 0.00 O ATOM 687 CB ARG A 73 -1.694 15.309 0.650 1.00 0.00 C ATOM 688 CG ARG A 73 -2.561 15.571 -0.578 1.00 0.00 C ATOM 689 CD ARG A 73 -1.767 15.835 -1.863 1.00 0.00 C ATOM 690 NE ARG A 73 -1.903 17.246 -2.253 1.00 0.00 N ATOM 691 CZ ARG A 73 -1.028 18.233 -2.020 1.00 0.00 C ATOM 692 NH1 ARG A 73 0.154 18.010 -1.459 1.00 0.00 N ATOM 693 NH2 ARG A 73 -1.330 19.484 -2.344 1.00 0.00 N ATOM 0 H ARG A 73 -4.110 14.610 0.867 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.057 14.770 2.692 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -0.869 16.021 0.674 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -1.255 14.314 0.582 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -3.214 14.713 -0.738 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -3.204 16.428 -0.379 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -0.716 15.591 -1.708 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -2.129 15.191 -2.664 1.00 0.00 H new ATOM 0 HE ARG A 73 -2.754 17.500 -2.754 1.00 0.00 H new ATOM 0 HH11 ARG A 73 0.421 17.063 -1.191 1.00 0.00 H new ATOM 0 HH12 ARG A 73 0.796 18.786 -1.296 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -2.231 19.697 -2.772 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -0.661 20.233 -2.165 1.00 0.00 H new ATOM 758 N LEU A 78 3.372 16.405 6.481 1.00 0.00 N ATOM 759 CA LEU A 78 3.580 15.214 5.656 1.00 0.00 C ATOM 760 C LEU A 78 2.438 14.213 5.824 1.00 0.00 C ATOM 761 O LEU A 78 2.367 13.225 5.094 1.00 0.00 O ATOM 762 CB LEU A 78 4.939 14.576 5.997 1.00 0.00 C ATOM 763 CG LEU A 78 6.160 15.477 5.727 1.00 0.00 C ATOM 764 CD1 LEU A 78 7.443 14.778 6.187 1.00 0.00 C ATOM 765 CD2 LEU A 78 6.305 15.839 4.242 1.00 0.00 C ATOM 0 HA LEU A 78 3.588 15.514 4.608 1.00 0.00 H new ATOM 0 HB2 LEU A 78 4.939 14.294 7.050 1.00 0.00 H new ATOM 0 HB3 LEU A 78 5.048 13.657 5.421 1.00 0.00 H new ATOM 0 HG LEU A 78 6.000 16.397 6.289 1.00 0.00 H new ATOM 0 HD11 LEU A 78 8.299 15.424 5.991 1.00 0.00 H new ATOM 0 HD12 LEU A 78 7.381 14.571 7.255 1.00 0.00 H new ATOM 0 HD13 LEU A 78 7.563 13.842 5.642 1.00 0.00 H new ATOM 0 HD21 LEU A 78 7.180 16.475 4.106 1.00 0.00 H new ATOM 0 HD22 LEU A 78 6.424 14.928 3.655 1.00 0.00 H new ATOM 0 HD23 LEU A 78 5.414 16.372 3.909 1.00 0.00 H new ATOM 777 N LYS A 79 1.537 14.456 6.776 1.00 0.00 N ATOM 778 CA LYS A 79 0.326 13.681 6.985 1.00 0.00 C ATOM 779 C LYS A 79 -0.513 13.703 5.716 1.00 0.00 C ATOM 780 O LYS A 79 -0.649 14.735 5.050 1.00 0.00 O ATOM 781 CB LYS A 79 -0.432 14.245 8.195 1.00 0.00 C ATOM 782 CG LYS A 79 -0.517 13.237 9.351 1.00 0.00 C ATOM 783 CD LYS A 79 -1.638 12.193 9.229 1.00 0.00 C ATOM 784 CE LYS A 79 -2.089 11.737 10.631 1.00 0.00 C ATOM 785 NZ LYS A 79 -1.854 10.303 10.899 1.00 0.00 N ATOM 0 H LYS A 79 1.638 15.223 7.441 1.00 0.00 H new ATOM 0 HA LYS A 79 0.567 12.640 7.201 1.00 0.00 H new ATOM 0 HB2 LYS A 79 0.065 15.151 8.542 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -1.439 14.530 7.890 1.00 0.00 H new ATOM 0 HG2 LYS A 79 0.437 12.715 9.427 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -0.655 13.787 10.282 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -2.483 12.616 8.686 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -1.287 11.336 8.654 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -1.563 12.328 11.381 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -3.152 11.949 10.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -2.182 10.071 11.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -2.377 9.730 10.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -0.838 10.097 10.821 1.00 0.00 H new ATOM 799 N VAL A 80 -1.052 12.544 5.369 1.00 0.00 N ATOM 800 CA VAL A 80 -1.899 12.362 4.214 1.00 0.00 C ATOM 801 C VAL A 80 -2.663 11.067 4.438 1.00 0.00 C ATOM 802 O VAL A 80 -2.060 10.016 4.637 1.00 0.00 O ATOM 803 CB VAL A 80 -1.060 12.349 2.922 1.00 0.00 C ATOM 804 CG1 VAL A 80 0.159 11.438 2.900 1.00 0.00 C ATOM 805 CG2 VAL A 80 -1.961 11.950 1.751 1.00 0.00 C ATOM 0 H VAL A 80 -0.905 11.686 5.901 1.00 0.00 H new ATOM 0 HA VAL A 80 -2.603 13.185 4.092 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.664 13.362 2.852 1.00 0.00 H new ATOM 0 HG11 VAL A 80 0.660 11.523 1.936 1.00 0.00 H new ATOM 0 HG12 VAL A 80 0.847 11.731 3.693 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -0.155 10.406 3.056 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -1.377 11.938 0.831 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.375 10.958 1.932 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -2.774 12.670 1.655 1.00 0.00 H new ATOM 815 N THR A 81 -3.979 11.107 4.331 1.00 0.00 N ATOM 816 CA THR A 81 -4.768 9.891 4.172 1.00 0.00 C ATOM 817 C THR A 81 -5.204 9.862 2.715 1.00 0.00 C ATOM 818 O THR A 81 -5.132 10.895 2.044 1.00 0.00 O ATOM 819 CB THR A 81 -5.908 9.811 5.204 1.00 0.00 C ATOM 820 OG1 THR A 81 -6.908 10.778 5.017 1.00 0.00 O ATOM 821 CG2 THR A 81 -5.389 10.056 6.617 1.00 0.00 C ATOM 0 H THR A 81 -4.527 11.967 4.351 1.00 0.00 H new ATOM 0 HA THR A 81 -4.194 8.989 4.383 1.00 0.00 H new ATOM 0 HB THR A 81 -6.317 8.810 5.067 1.00 0.00 H new ATOM 0 HG1 THR A 81 -7.785 10.341 4.989 1.00 0.00 H new ATOM 0 HG21 THR A 81 -6.216 9.993 7.324 1.00 0.00 H new ATOM 0 HG22 THR A 81 -4.641 9.303 6.866 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.938 11.047 6.672 1.00 0.00 H new ATOM 829 N PHE A 82 -5.584 8.705 2.177 1.00 0.00 N ATOM 830 CA PHE A 82 -6.260 8.635 0.889 1.00 0.00 C ATOM 831 C PHE A 82 -7.115 7.386 0.818 1.00 0.00 C ATOM 832 O PHE A 82 -7.165 6.623 1.785 1.00 0.00 O ATOM 833 CB PHE A 82 -5.265 8.745 -0.278 1.00 0.00 C ATOM 834 CG PHE A 82 -4.196 7.691 -0.437 1.00 0.00 C ATOM 835 CD1 PHE A 82 -2.978 7.827 0.254 1.00 0.00 C ATOM 836 CD2 PHE A 82 -4.365 6.628 -1.340 1.00 0.00 C ATOM 837 CE1 PHE A 82 -1.890 7.000 -0.055 1.00 0.00 C ATOM 838 CE2 PHE A 82 -3.302 5.739 -1.574 1.00 0.00 C ATOM 839 CZ PHE A 82 -2.044 5.953 -0.981 1.00 0.00 C ATOM 0 H PHE A 82 -5.432 7.798 2.619 1.00 0.00 H new ATOM 0 HA PHE A 82 -6.926 9.493 0.793 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -5.844 8.767 -1.201 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -4.764 9.709 -0.192 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -2.881 8.574 1.028 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -5.307 6.495 -1.852 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -0.933 7.167 0.418 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -3.452 4.883 -2.215 1.00 0.00 H new ATOM 0 HZ PHE A 82 -1.206 5.320 -1.234 1.00 0.00 H new ATOM 849 N THR A 83 -7.769 7.171 -0.318 1.00 0.00 N ATOM 850 CA THR A 83 -8.555 5.965 -0.535 1.00 0.00 C ATOM 851 C THR A 83 -8.122 5.394 -1.873 1.00 0.00 C ATOM 852 O THR A 83 -7.794 6.143 -2.803 1.00 0.00 O ATOM 853 CB THR A 83 -10.060 6.262 -0.421 1.00 0.00 C ATOM 854 OG1 THR A 83 -10.249 7.030 0.750 1.00 0.00 O ATOM 855 CG2 THR A 83 -10.904 4.986 -0.326 1.00 0.00 C ATOM 0 H THR A 83 -7.769 7.820 -1.105 1.00 0.00 H new ATOM 0 HA THR A 83 -8.376 5.212 0.233 1.00 0.00 H new ATOM 0 HB THR A 83 -10.383 6.791 -1.318 1.00 0.00 H new ATOM 0 HG1 THR A 83 -10.342 6.433 1.521 1.00 0.00 H new ATOM 0 HG21 THR A 83 -11.958 5.252 -0.247 1.00 0.00 H new ATOM 0 HG22 THR A 83 -10.748 4.380 -1.218 1.00 0.00 H new ATOM 0 HG23 THR A 83 -10.607 4.418 0.555 1.00 0.00 H new ATOM 863 N ILE A 84 -8.059 4.070 -1.944 1.00 0.00 N ATOM 864 CA ILE A 84 -7.623 3.324 -3.107 1.00 0.00 C ATOM 865 C ILE A 84 -8.735 2.328 -3.405 1.00 0.00 C ATOM 866 O ILE A 84 -9.269 1.723 -2.481 1.00 0.00 O ATOM 867 CB ILE A 84 -6.241 2.650 -2.895 1.00 0.00 C ATOM 868 CG1 ILE A 84 -5.736 2.631 -1.452 1.00 0.00 C ATOM 869 CG2 ILE A 84 -5.188 3.346 -3.768 1.00 0.00 C ATOM 870 CD1 ILE A 84 -4.490 1.743 -1.286 1.00 0.00 C ATOM 0 H ILE A 84 -8.321 3.469 -1.162 1.00 0.00 H new ATOM 0 HA ILE A 84 -7.461 3.982 -3.960 1.00 0.00 H new ATOM 0 HB ILE A 84 -6.391 1.608 -3.179 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -5.500 3.648 -1.137 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -6.528 2.270 -0.796 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -4.219 2.871 -3.617 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -5.473 3.264 -4.817 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -5.123 4.398 -3.491 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -4.167 1.760 -0.245 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -4.731 0.720 -1.574 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -3.688 2.119 -1.921 1.00 0.00 H new ATOM 882 N TYR A 85 -9.095 2.165 -4.672 1.00 0.00 N ATOM 883 CA TYR A 85 -10.214 1.357 -5.125 1.00 0.00 C ATOM 884 C TYR A 85 -9.782 0.510 -6.325 1.00 0.00 C ATOM 885 O TYR A 85 -8.708 0.725 -6.903 1.00 0.00 O ATOM 886 CB TYR A 85 -11.412 2.248 -5.466 1.00 0.00 C ATOM 887 CG TYR A 85 -11.248 2.972 -6.776 1.00 0.00 C ATOM 888 CD1 TYR A 85 -10.380 4.068 -6.853 1.00 0.00 C ATOM 889 CD2 TYR A 85 -11.857 2.469 -7.935 1.00 0.00 C ATOM 890 CE1 TYR A 85 -10.103 4.671 -8.082 1.00 0.00 C ATOM 891 CE2 TYR A 85 -11.589 3.065 -9.172 1.00 0.00 C ATOM 892 CZ TYR A 85 -10.717 4.177 -9.251 1.00 0.00 C ATOM 893 OH TYR A 85 -10.443 4.742 -10.453 1.00 0.00 O ATOM 0 H TYR A 85 -8.594 2.611 -5.440 1.00 0.00 H new ATOM 0 HA TYR A 85 -10.525 0.684 -4.326 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -12.314 1.637 -5.504 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -11.555 2.977 -4.669 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -9.920 4.451 -5.954 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -12.529 1.626 -7.873 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -9.424 5.509 -8.136 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -12.048 2.676 -10.069 1.00 0.00 H new ATOM 0 HH TYR A 85 -9.579 4.415 -10.779 1.00 0.00 H new ATOM 903 N ASP A 86 -10.635 -0.430 -6.717 1.00 0.00 N ATOM 904 CA ASP A 86 -10.589 -1.170 -7.975 1.00 0.00 C ATOM 905 C ASP A 86 -11.994 -1.725 -8.241 1.00 0.00 C ATOM 906 O ASP A 86 -12.954 -1.298 -7.593 1.00 0.00 O ATOM 907 CB ASP A 86 -9.479 -2.243 -7.982 1.00 0.00 C ATOM 908 CG ASP A 86 -8.883 -2.414 -9.380 1.00 0.00 C ATOM 909 OD1 ASP A 86 -9.566 -2.978 -10.266 1.00 0.00 O ATOM 910 OD2 ASP A 86 -7.750 -1.933 -9.621 1.00 0.00 O ATOM 0 H ASP A 86 -11.422 -0.713 -6.133 1.00 0.00 H new ATOM 0 HA ASP A 86 -10.314 -0.509 -8.797 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -8.693 -1.962 -7.281 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -9.887 -3.194 -7.639 1.00 0.00 H new ATOM 915 N ALA A 87 -12.128 -2.653 -9.188 1.00 0.00 N ATOM 916 CA ALA A 87 -13.379 -3.193 -9.714 1.00 0.00 C ATOM 917 C ALA A 87 -14.244 -3.949 -8.687 1.00 0.00 C ATOM 918 O ALA A 87 -15.340 -4.394 -9.028 1.00 0.00 O ATOM 919 CB ALA A 87 -13.015 -4.123 -10.881 1.00 0.00 C ATOM 0 H ALA A 87 -11.314 -3.073 -9.636 1.00 0.00 H new ATOM 0 HA ALA A 87 -13.997 -2.350 -10.024 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -13.925 -4.549 -11.304 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -12.489 -3.555 -11.649 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -12.372 -4.926 -10.520 1.00 0.00 H new ATOM 925 N GLU A 88 -13.773 -4.115 -7.452 1.00 0.00 N ATOM 926 CA GLU A 88 -14.412 -4.920 -6.419 1.00 0.00 C ATOM 927 C GLU A 88 -14.920 -3.970 -5.337 1.00 0.00 C ATOM 928 O GLU A 88 -16.122 -3.911 -5.074 1.00 0.00 O ATOM 929 CB GLU A 88 -13.462 -5.972 -5.807 1.00 0.00 C ATOM 930 CG GLU A 88 -12.271 -6.426 -6.658 1.00 0.00 C ATOM 931 CD GLU A 88 -12.578 -7.545 -7.655 1.00 0.00 C ATOM 932 OE1 GLU A 88 -13.737 -7.650 -8.112 1.00 0.00 O ATOM 933 OE2 GLU A 88 -11.682 -8.381 -7.908 1.00 0.00 O ATOM 0 H GLU A 88 -12.908 -3.677 -7.135 1.00 0.00 H new ATOM 0 HA GLU A 88 -15.231 -5.480 -6.869 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -13.074 -5.571 -4.871 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -14.052 -6.853 -5.556 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -11.887 -5.566 -7.207 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -11.475 -6.761 -5.993 1.00 0.00 H new ATOM 940 N GLY A 89 -13.996 -3.250 -4.696 1.00 0.00 N ATOM 941 CA GLY A 89 -14.224 -2.419 -3.524 1.00 0.00 C ATOM 942 C GLY A 89 -13.200 -1.289 -3.415 1.00 0.00 C ATOM 943 O GLY A 89 -12.449 -1.028 -4.359 1.00 0.00 O ATOM 0 H GLY A 89 -13.022 -3.234 -5.000 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -15.227 -1.996 -3.569 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -14.179 -3.037 -2.627 1.00 0.00 H new ATOM 947 N SER A 90 -13.161 -0.621 -2.258 1.00 0.00 N ATOM 948 CA SER A 90 -12.128 0.351 -1.913 1.00 0.00 C ATOM 949 C SER A 90 -11.654 0.195 -0.466 1.00 0.00 C ATOM 950 O SER A 90 -12.318 -0.461 0.340 1.00 0.00 O ATOM 951 CB SER A 90 -12.603 1.771 -2.253 1.00 0.00 C ATOM 952 OG SER A 90 -13.657 2.234 -1.433 1.00 0.00 O ATOM 0 H SER A 90 -13.860 -0.745 -1.525 1.00 0.00 H new ATOM 0 HA SER A 90 -11.245 0.155 -2.522 1.00 0.00 H new ATOM 0 HB2 SER A 90 -11.760 2.456 -2.166 1.00 0.00 H new ATOM 0 HB3 SER A 90 -12.927 1.796 -3.293 1.00 0.00 H new ATOM 0 HG SER A 90 -13.907 3.142 -1.703 1.00 0.00 H new ATOM 958 N VAL A 91 -10.502 0.794 -0.137 1.00 0.00 N ATOM 959 CA VAL A 91 -9.876 0.742 1.177 1.00 0.00 C ATOM 960 C VAL A 91 -9.255 2.097 1.499 1.00 0.00 C ATOM 961 O VAL A 91 -8.722 2.772 0.610 1.00 0.00 O ATOM 962 CB VAL A 91 -8.834 -0.397 1.238 1.00 0.00 C ATOM 963 CG1 VAL A 91 -9.479 -1.760 0.963 1.00 0.00 C ATOM 964 CG2 VAL A 91 -7.622 -0.222 0.312 1.00 0.00 C ATOM 0 H VAL A 91 -9.967 1.346 -0.807 1.00 0.00 H new ATOM 0 HA VAL A 91 -10.632 0.525 1.932 1.00 0.00 H new ATOM 0 HB VAL A 91 -8.454 -0.350 2.259 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -8.719 -2.539 1.013 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -10.249 -1.955 1.709 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -9.929 -1.756 -0.030 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -6.950 -1.072 0.428 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -7.960 -0.165 -0.723 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -7.095 0.696 0.572 1.00 0.00 H new ATOM 974 N ASP A 92 -9.310 2.470 2.775 1.00 0.00 N ATOM 975 CA ASP A 92 -8.697 3.682 3.301 1.00 0.00 C ATOM 976 C ASP A 92 -7.201 3.432 3.486 1.00 0.00 C ATOM 977 O ASP A 92 -6.801 2.310 3.822 1.00 0.00 O ATOM 978 CB ASP A 92 -9.307 4.026 4.678 1.00 0.00 C ATOM 979 CG ASP A 92 -10.168 5.291 4.729 1.00 0.00 C ATOM 980 OD1 ASP A 92 -10.629 5.817 3.692 1.00 0.00 O ATOM 981 OD2 ASP A 92 -10.336 5.827 5.850 1.00 0.00 O ATOM 0 H ASP A 92 -9.794 1.923 3.487 1.00 0.00 H new ATOM 0 HA ASP A 92 -8.871 4.505 2.608 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -9.915 3.183 5.006 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -8.495 4.133 5.397 1.00 0.00 H new ATOM 986 N VAL A 93 -6.370 4.474 3.412 1.00 0.00 N ATOM 987 CA VAL A 93 -5.001 4.441 3.895 1.00 0.00 C ATOM 988 C VAL A 93 -4.704 5.687 4.747 1.00 0.00 C ATOM 989 O VAL A 93 -5.188 6.771 4.418 1.00 0.00 O ATOM 990 CB VAL A 93 -4.033 4.276 2.710 1.00 0.00 C ATOM 991 CG1 VAL A 93 -4.430 3.192 1.676 1.00 0.00 C ATOM 992 CG2 VAL A 93 -3.806 5.548 1.953 1.00 0.00 C ATOM 0 H VAL A 93 -6.639 5.372 3.009 1.00 0.00 H new ATOM 0 HA VAL A 93 -4.858 3.579 4.547 1.00 0.00 H new ATOM 0 HB VAL A 93 -3.120 3.956 3.211 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -3.684 3.156 0.882 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -4.483 2.221 2.169 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -5.403 3.436 1.249 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -3.115 5.364 1.131 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -4.755 5.909 1.555 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -3.383 6.299 2.621 1.00 0.00 H new ATOM 1002 N SER A 94 -3.837 5.560 5.755 1.00 0.00 N ATOM 1003 CA SER A 94 -3.254 6.648 6.535 1.00 0.00 C ATOM 1004 C SER A 94 -1.738 6.601 6.376 1.00 0.00 C ATOM 1005 O SER A 94 -1.104 5.640 6.814 1.00 0.00 O ATOM 1006 CB SER A 94 -3.650 6.541 8.007 1.00 0.00 C ATOM 1007 OG SER A 94 -4.946 7.079 8.185 1.00 0.00 O ATOM 0 H SER A 94 -3.507 4.645 6.063 1.00 0.00 H new ATOM 0 HA SER A 94 -3.633 7.602 6.169 1.00 0.00 H new ATOM 0 HB2 SER A 94 -3.630 5.499 8.326 1.00 0.00 H new ATOM 0 HB3 SER A 94 -2.933 7.078 8.628 1.00 0.00 H new ATOM 0 HG SER A 94 -5.616 6.398 7.967 1.00 0.00 H new ATOM 1013 N TYR A 95 -1.163 7.603 5.714 1.00 0.00 N ATOM 1014 CA TYR A 95 0.262 7.804 5.544 1.00 0.00 C ATOM 1015 C TYR A 95 0.665 9.063 6.313 1.00 0.00 C ATOM 1016 O TYR A 95 -0.152 9.901 6.706 1.00 0.00 O ATOM 1017 CB TYR A 95 0.577 7.916 4.037 1.00 0.00 C ATOM 1018 CG TYR A 95 2.037 8.049 3.619 1.00 0.00 C ATOM 1019 CD1 TYR A 95 3.072 7.342 4.256 1.00 0.00 C ATOM 1020 CD2 TYR A 95 2.350 8.869 2.523 1.00 0.00 C ATOM 1021 CE1 TYR A 95 4.399 7.493 3.816 1.00 0.00 C ATOM 1022 CE2 TYR A 95 3.662 8.989 2.041 1.00 0.00 C ATOM 1023 CZ TYR A 95 4.701 8.312 2.704 1.00 0.00 C ATOM 1024 OH TYR A 95 5.984 8.476 2.282 1.00 0.00 O ATOM 0 H TYR A 95 -1.714 8.332 5.260 1.00 0.00 H new ATOM 0 HA TYR A 95 0.834 6.964 5.939 1.00 0.00 H new ATOM 0 HB2 TYR A 95 0.167 7.034 3.544 1.00 0.00 H new ATOM 0 HB3 TYR A 95 0.038 8.779 3.646 1.00 0.00 H new ATOM 0 HD1 TYR A 95 2.848 6.684 5.082 1.00 0.00 H new ATOM 0 HD2 TYR A 95 1.559 9.422 2.038 1.00 0.00 H new ATOM 0 HE1 TYR A 95 5.195 6.978 4.333 1.00 0.00 H new ATOM 0 HE2 TYR A 95 3.872 9.594 1.171 1.00 0.00 H new ATOM 0 HH TYR A 95 6.011 9.149 1.570 1.00 0.00 H new ATOM 1034 N GLU A 96 1.964 9.217 6.481 1.00 0.00 N ATOM 1035 CA GLU A 96 2.602 10.413 6.962 1.00 0.00 C ATOM 1036 C GLU A 96 4.002 10.318 6.390 1.00 0.00 C ATOM 1037 O GLU A 96 4.848 9.575 6.897 1.00 0.00 O ATOM 1038 CB GLU A 96 2.582 10.523 8.495 1.00 0.00 C ATOM 1039 CG GLU A 96 3.256 11.847 8.876 1.00 0.00 C ATOM 1040 CD GLU A 96 3.395 12.055 10.375 1.00 0.00 C ATOM 1041 OE1 GLU A 96 2.360 12.157 11.072 1.00 0.00 O ATOM 1042 OE2 GLU A 96 4.543 12.268 10.835 1.00 0.00 O ATOM 0 H GLU A 96 2.629 8.472 6.274 1.00 0.00 H new ATOM 0 HA GLU A 96 2.087 11.320 6.647 1.00 0.00 H new ATOM 0 HB2 GLU A 96 1.558 10.494 8.867 1.00 0.00 H new ATOM 0 HB3 GLU A 96 3.109 9.682 8.946 1.00 0.00 H new ATOM 0 HG2 GLU A 96 4.245 11.885 8.420 1.00 0.00 H new ATOM 0 HG3 GLU A 96 2.680 12.671 8.456 1.00 0.00 H new ATOM 1049 N GLY A 97 4.217 11.004 5.275 1.00 0.00 N ATOM 1050 CA GLY A 97 5.531 10.988 4.665 1.00 0.00 C ATOM 1051 C GLY A 97 5.574 11.756 3.361 1.00 0.00 C ATOM 1052 O GLY A 97 4.618 12.437 2.978 1.00 0.00 O ATOM 0 H GLY A 97 3.516 11.563 4.788 1.00 0.00 H new ATOM 0 HA2 GLY A 97 6.255 11.415 5.359 1.00 0.00 H new ATOM 0 HA3 GLY A 97 5.832 9.956 4.485 1.00 0.00 H new ATOM 1056 N ILE A 98 6.722 11.671 2.697 1.00 0.00 N ATOM 1057 CA ILE A 98 6.956 12.330 1.425 1.00 0.00 C ATOM 1058 C ILE A 98 6.197 11.523 0.377 1.00 0.00 C ATOM 1059 O ILE A 98 6.386 10.307 0.222 1.00 0.00 O ATOM 1060 CB ILE A 98 8.463 12.549 1.168 1.00 0.00 C ATOM 1061 CG1 ILE A 98 8.730 13.477 -0.040 1.00 0.00 C ATOM 1062 CG2 ILE A 98 9.266 11.249 1.086 1.00 0.00 C ATOM 1063 CD1 ILE A 98 8.651 12.845 -1.440 1.00 0.00 C ATOM 0 H ILE A 98 7.522 11.136 3.034 1.00 0.00 H new ATOM 0 HA ILE A 98 6.572 13.350 1.398 1.00 0.00 H new ATOM 0 HB ILE A 98 8.832 13.067 2.053 1.00 0.00 H new ATOM 0 HG12 ILE A 98 8.016 14.299 0.001 1.00 0.00 H new ATOM 0 HG13 ILE A 98 9.723 13.911 0.080 1.00 0.00 H new ATOM 0 HG21 ILE A 98 10.315 11.480 0.904 1.00 0.00 H new ATOM 0 HG22 ILE A 98 9.172 10.704 2.025 1.00 0.00 H new ATOM 0 HG23 ILE A 98 8.883 10.636 0.270 1.00 0.00 H new ATOM 0 HD11 ILE A 98 8.859 13.604 -2.194 1.00 0.00 H new ATOM 0 HD12 ILE A 98 9.386 12.044 -1.520 1.00 0.00 H new ATOM 0 HD13 ILE A 98 7.652 12.438 -1.600 1.00 0.00 H new ATOM 1075 N LEU A 99 5.253 12.199 -0.262 1.00 0.00 N ATOM 1076 CA LEU A 99 4.312 11.622 -1.199 1.00 0.00 C ATOM 1077 C LEU A 99 4.825 11.842 -2.624 1.00 0.00 C ATOM 1078 O LEU A 99 5.286 12.946 -2.919 1.00 0.00 O ATOM 1079 CB LEU A 99 2.941 12.270 -0.968 1.00 0.00 C ATOM 1080 CG LEU A 99 1.762 11.451 -1.518 1.00 0.00 C ATOM 1081 CD1 LEU A 99 1.707 10.051 -0.897 1.00 0.00 C ATOM 1082 CD2 LEU A 99 0.472 12.152 -1.105 1.00 0.00 C ATOM 0 H LEU A 99 5.120 13.202 -0.134 1.00 0.00 H new ATOM 0 HA LEU A 99 4.210 10.547 -1.050 1.00 0.00 H new ATOM 0 HB2 LEU A 99 2.798 12.421 0.102 1.00 0.00 H new ATOM 0 HB3 LEU A 99 2.934 13.256 -1.433 1.00 0.00 H new ATOM 0 HG LEU A 99 1.882 11.369 -2.598 1.00 0.00 H new ATOM 0 HD11 LEU A 99 0.861 9.503 -1.311 1.00 0.00 H new ATOM 0 HD12 LEU A 99 2.630 9.517 -1.122 1.00 0.00 H new ATOM 0 HD13 LEU A 99 1.591 10.137 0.183 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.383 11.592 -1.482 1.00 0.00 H new ATOM 0 HD22 LEU A 99 0.419 12.206 -0.018 1.00 0.00 H new ATOM 0 HD23 LEU A 99 0.457 13.160 -1.519 1.00 0.00 H new ATOM 1094 N PRO A 100 4.782 10.826 -3.508 1.00 0.00 N ATOM 1095 CA PRO A 100 5.373 10.928 -4.836 1.00 0.00 C ATOM 1096 C PRO A 100 4.798 12.100 -5.645 1.00 0.00 C ATOM 1097 O PRO A 100 3.668 12.551 -5.429 1.00 0.00 O ATOM 1098 CB PRO A 100 5.130 9.573 -5.516 1.00 0.00 C ATOM 1099 CG PRO A 100 4.819 8.612 -4.374 1.00 0.00 C ATOM 1100 CD PRO A 100 4.248 9.492 -3.279 1.00 0.00 C ATOM 0 HA PRO A 100 6.439 11.143 -4.770 1.00 0.00 H new ATOM 0 HB2 PRO A 100 4.302 9.628 -6.223 1.00 0.00 H new ATOM 0 HB3 PRO A 100 6.007 9.250 -6.077 1.00 0.00 H new ATOM 0 HG2 PRO A 100 4.105 7.848 -4.682 1.00 0.00 H new ATOM 0 HG3 PRO A 100 5.716 8.092 -4.038 1.00 0.00 H new ATOM 0 HD2 PRO A 100 3.159 9.498 -3.313 1.00 0.00 H new ATOM 0 HD3 PRO A 100 4.534 9.122 -2.294 1.00 0.00 H new ATOM 1108 N ASP A 101 5.561 12.567 -6.627 1.00 0.00 N ATOM 1109 CA ASP A 101 5.123 13.523 -7.650 1.00 0.00 C ATOM 1110 C ASP A 101 4.132 12.831 -8.584 1.00 0.00 C ATOM 1111 O ASP A 101 3.086 13.359 -8.966 1.00 0.00 O ATOM 1112 CB ASP A 101 6.354 13.963 -8.454 1.00 0.00 C ATOM 1113 CG ASP A 101 6.209 15.345 -9.085 1.00 0.00 C ATOM 1114 OD1 ASP A 101 5.096 15.741 -9.494 1.00 0.00 O ATOM 1115 OD2 ASP A 101 7.254 16.023 -9.189 1.00 0.00 O ATOM 0 H ASP A 101 6.534 12.284 -6.741 1.00 0.00 H new ATOM 0 HA ASP A 101 4.646 14.387 -7.187 1.00 0.00 H new ATOM 0 HB2 ASP A 101 7.225 13.961 -7.799 1.00 0.00 H new ATOM 0 HB3 ASP A 101 6.545 13.232 -9.240 1.00 0.00 H new ATOM 1120 N LEU A 102 4.474 11.578 -8.895 1.00 0.00 N ATOM 1121 CA LEU A 102 3.698 10.666 -9.711 1.00 0.00 C ATOM 1122 C LEU A 102 2.370 10.318 -9.058 1.00 0.00 C ATOM 1123 O LEU A 102 1.439 9.978 -9.773 1.00 0.00 O ATOM 1124 CB LEU A 102 4.503 9.372 -9.914 1.00 0.00 C ATOM 1125 CG LEU A 102 5.771 9.536 -10.769 1.00 0.00 C ATOM 1126 CD1 LEU A 102 6.594 8.247 -10.675 1.00 0.00 C ATOM 1127 CD2 LEU A 102 5.426 9.892 -12.215 1.00 0.00 C ATOM 0 H LEU A 102 5.344 11.160 -8.564 1.00 0.00 H new ATOM 0 HA LEU A 102 3.493 11.154 -10.664 1.00 0.00 H new ATOM 0 HB2 LEU A 102 4.787 8.979 -8.938 1.00 0.00 H new ATOM 0 HB3 LEU A 102 3.858 8.628 -10.382 1.00 0.00 H new ATOM 0 HG LEU A 102 6.366 10.366 -10.388 1.00 0.00 H new ATOM 0 HD11 LEU A 102 7.497 8.347 -11.277 1.00 0.00 H new ATOM 0 HD12 LEU A 102 6.868 8.065 -9.636 1.00 0.00 H new ATOM 0 HD13 LEU A 102 6.003 7.410 -11.046 1.00 0.00 H new ATOM 0 HD21 LEU A 102 6.344 10.001 -12.792 1.00 0.00 H new ATOM 0 HD22 LEU A 102 4.816 9.100 -12.649 1.00 0.00 H new ATOM 0 HD23 LEU A 102 4.871 10.830 -12.236 1.00 0.00 H new ATOM 1139 N PHE A 103 2.262 10.365 -7.729 1.00 0.00 N ATOM 1140 CA PHE A 103 1.075 9.945 -7.016 1.00 0.00 C ATOM 1141 C PHE A 103 -0.074 10.899 -7.361 1.00 0.00 C ATOM 1142 O PHE A 103 -0.071 12.056 -6.930 1.00 0.00 O ATOM 1143 CB PHE A 103 1.413 9.888 -5.523 1.00 0.00 C ATOM 1144 CG PHE A 103 0.254 9.476 -4.661 1.00 0.00 C ATOM 1145 CD1 PHE A 103 -0.699 10.441 -4.304 1.00 0.00 C ATOM 1146 CD2 PHE A 103 0.087 8.134 -4.278 1.00 0.00 C ATOM 1147 CE1 PHE A 103 -1.866 10.065 -3.633 1.00 0.00 C ATOM 1148 CE2 PHE A 103 -1.049 7.778 -3.535 1.00 0.00 C ATOM 1149 CZ PHE A 103 -2.032 8.735 -3.223 1.00 0.00 C ATOM 0 H PHE A 103 3.008 10.700 -7.120 1.00 0.00 H new ATOM 0 HA PHE A 103 0.743 8.949 -7.308 1.00 0.00 H new ATOM 0 HB2 PHE A 103 2.235 9.188 -5.371 1.00 0.00 H new ATOM 0 HB3 PHE A 103 1.765 10.868 -5.201 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -0.530 11.479 -4.549 1.00 0.00 H new ATOM 0 HD2 PHE A 103 0.820 7.390 -4.551 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -2.636 10.795 -3.432 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -1.170 6.759 -3.199 1.00 0.00 H new ATOM 0 HZ PHE A 103 -2.913 8.445 -2.669 1.00 0.00 H new ATOM 1159 N ARG A 104 -1.040 10.459 -8.168 1.00 0.00 N ATOM 1160 CA ARG A 104 -2.142 11.278 -8.646 1.00 0.00 C ATOM 1161 C ARG A 104 -3.448 10.528 -8.483 1.00 0.00 C ATOM 1162 O ARG A 104 -3.490 9.299 -8.409 1.00 0.00 O ATOM 1163 CB ARG A 104 -1.923 11.629 -10.130 1.00 0.00 C ATOM 1164 CG ARG A 104 -0.655 12.449 -10.376 1.00 0.00 C ATOM 1165 CD ARG A 104 -0.742 13.877 -9.856 1.00 0.00 C ATOM 1166 NE ARG A 104 0.520 14.589 -10.101 1.00 0.00 N ATOM 1167 CZ ARG A 104 0.619 15.873 -10.450 1.00 0.00 C ATOM 1168 NH1 ARG A 104 -0.431 16.680 -10.416 1.00 0.00 N ATOM 1169 NH2 ARG A 104 1.784 16.364 -10.829 1.00 0.00 N ATOM 0 H ARG A 104 -1.074 9.500 -8.513 1.00 0.00 H new ATOM 0 HA ARG A 104 -2.184 12.198 -8.063 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -1.870 10.708 -10.710 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -2.785 12.187 -10.495 1.00 0.00 H new ATOM 0 HG2 ARG A 104 0.189 11.949 -9.901 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -0.450 12.473 -11.446 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -1.563 14.400 -10.346 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -0.961 13.869 -8.788 1.00 0.00 H new ATOM 0 HE ARG A 104 1.387 14.061 -9.996 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -1.339 16.323 -10.118 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -0.331 17.658 -10.687 1.00 0.00 H new ATOM 0 HH21 ARG A 104 2.607 15.762 -10.855 1.00 0.00 H new ATOM 0 HH22 ARG A 104 1.861 17.345 -11.096 1.00 0.00 H new ATOM 1183 N GLU A 105 -4.512 11.309 -8.464 1.00 0.00 N ATOM 1184 CA GLU A 105 -5.882 10.862 -8.373 1.00 0.00 C ATOM 1185 C GLU A 105 -6.238 10.199 -9.705 1.00 0.00 C ATOM 1186 O GLU A 105 -6.398 10.879 -10.725 1.00 0.00 O ATOM 1187 CB GLU A 105 -6.744 12.080 -8.022 1.00 0.00 C ATOM 1188 CG GLU A 105 -6.491 12.476 -6.556 1.00 0.00 C ATOM 1189 CD GLU A 105 -7.040 13.856 -6.209 1.00 0.00 C ATOM 1190 OE1 GLU A 105 -8.265 13.984 -5.970 1.00 0.00 O ATOM 1191 OE2 GLU A 105 -6.245 14.819 -6.105 1.00 0.00 O ATOM 0 H GLU A 105 -4.435 12.325 -8.514 1.00 0.00 H new ATOM 0 HA GLU A 105 -6.052 10.120 -7.593 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -6.503 12.913 -8.683 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -7.799 11.849 -8.172 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -6.948 11.734 -5.901 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -5.419 12.458 -6.360 1.00 0.00 H new ATOM 1198 N GLY A 106 -6.310 8.866 -9.697 1.00 0.00 N ATOM 1199 CA GLY A 106 -6.572 8.055 -10.877 1.00 0.00 C ATOM 1200 C GLY A 106 -5.321 7.402 -11.452 1.00 0.00 C ATOM 1201 O GLY A 106 -5.313 7.109 -12.647 1.00 0.00 O ATOM 0 H GLY A 106 -6.184 8.313 -8.849 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -7.294 7.279 -10.622 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -7.032 8.679 -11.643 1.00 0.00 H new ATOM 1205 N GLN A 107 -4.278 7.148 -10.651 1.00 0.00 N ATOM 1206 CA GLN A 107 -3.245 6.175 -11.030 1.00 0.00 C ATOM 1207 C GLN A 107 -3.164 5.052 -9.999 1.00 0.00 C ATOM 1208 O GLN A 107 -3.695 5.172 -8.890 1.00 0.00 O ATOM 1209 CB GLN A 107 -1.875 6.829 -11.267 1.00 0.00 C ATOM 1210 CG GLN A 107 -1.300 7.554 -10.046 1.00 0.00 C ATOM 1211 CD GLN A 107 0.191 7.294 -9.861 1.00 0.00 C ATOM 1212 OE1 GLN A 107 0.631 6.949 -8.778 1.00 0.00 O ATOM 1213 NE2 GLN A 107 1.018 7.465 -10.876 1.00 0.00 N ATOM 0 H GLN A 107 -4.128 7.596 -9.747 1.00 0.00 H new ATOM 0 HA GLN A 107 -3.541 5.743 -11.986 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -1.169 6.061 -11.584 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -1.963 7.540 -12.089 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -1.468 8.626 -10.151 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -1.835 7.234 -9.152 1.00 0.00 H new ATOM 0 HE21 GLN A 107 0.657 7.754 -11.785 1.00 0.00 H new ATOM 0 HE22 GLN A 107 2.018 7.308 -10.751 1.00 0.00 H new ATOM 1222 N GLY A 108 -2.516 3.957 -10.395 1.00 0.00 N ATOM 1223 CA GLY A 108 -2.248 2.805 -9.554 1.00 0.00 C ATOM 1224 C GLY A 108 -1.033 3.092 -8.687 1.00 0.00 C ATOM 1225 O GLY A 108 -0.044 3.645 -9.173 1.00 0.00 O ATOM 0 H GLY A 108 -2.154 3.850 -11.342 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -3.113 2.587 -8.928 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -2.070 1.923 -10.170 1.00 0.00 H new ATOM 1229 N VAL A 109 -1.100 2.703 -7.420 1.00 0.00 N ATOM 1230 CA VAL A 109 -0.074 2.935 -6.411 1.00 0.00 C ATOM 1231 C VAL A 109 0.122 1.619 -5.652 1.00 0.00 C ATOM 1232 O VAL A 109 -0.641 0.661 -5.836 1.00 0.00 O ATOM 1233 CB VAL A 109 -0.469 4.129 -5.505 1.00 0.00 C ATOM 1234 CG1 VAL A 109 -0.946 5.322 -6.337 1.00 0.00 C ATOM 1235 CG2 VAL A 109 -1.477 3.774 -4.415 1.00 0.00 C ATOM 0 H VAL A 109 -1.905 2.196 -7.052 1.00 0.00 H new ATOM 0 HA VAL A 109 0.879 3.220 -6.856 1.00 0.00 H new ATOM 0 HB VAL A 109 0.442 4.413 -4.979 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -1.216 6.144 -5.674 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -0.147 5.643 -7.005 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -1.816 5.030 -6.926 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -1.702 4.662 -3.824 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -2.393 3.402 -4.874 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -1.057 3.004 -3.768 1.00 0.00 H new ATOM 1245 N VAL A 110 1.099 1.580 -4.757 1.00 0.00 N ATOM 1246 CA VAL A 110 1.309 0.528 -3.783 1.00 0.00 C ATOM 1247 C VAL A 110 1.404 1.229 -2.428 1.00 0.00 C ATOM 1248 O VAL A 110 2.023 2.285 -2.287 1.00 0.00 O ATOM 1249 CB VAL A 110 2.552 -0.298 -4.199 1.00 0.00 C ATOM 1250 CG1 VAL A 110 3.360 -0.879 -3.034 1.00 0.00 C ATOM 1251 CG2 VAL A 110 2.097 -1.475 -5.075 1.00 0.00 C ATOM 0 H VAL A 110 1.799 2.319 -4.691 1.00 0.00 H new ATOM 0 HA VAL A 110 0.502 -0.202 -3.722 1.00 0.00 H new ATOM 0 HB VAL A 110 3.204 0.401 -4.723 1.00 0.00 H new ATOM 0 HG11 VAL A 110 4.209 -1.440 -3.424 1.00 0.00 H new ATOM 0 HG12 VAL A 110 3.721 -0.068 -2.401 1.00 0.00 H new ATOM 0 HG13 VAL A 110 2.726 -1.543 -2.447 1.00 0.00 H new ATOM 0 HG21 VAL A 110 2.965 -2.063 -5.373 1.00 0.00 H new ATOM 0 HG22 VAL A 110 1.409 -2.104 -4.510 1.00 0.00 H new ATOM 0 HG23 VAL A 110 1.594 -1.094 -5.964 1.00 0.00 H new ATOM 1261 N VAL A 111 0.764 0.657 -1.419 1.00 0.00 N ATOM 1262 CA VAL A 111 0.965 0.968 -0.015 1.00 0.00 C ATOM 1263 C VAL A 111 1.494 -0.292 0.663 1.00 0.00 C ATOM 1264 O VAL A 111 1.260 -1.405 0.202 1.00 0.00 O ATOM 1265 CB VAL A 111 -0.363 1.507 0.555 1.00 0.00 C ATOM 1266 CG1 VAL A 111 -0.702 1.093 1.984 1.00 0.00 C ATOM 1267 CG2 VAL A 111 -0.372 3.026 0.468 1.00 0.00 C ATOM 0 H VAL A 111 0.061 -0.067 -1.565 1.00 0.00 H new ATOM 0 HA VAL A 111 1.704 1.750 0.158 1.00 0.00 H new ATOM 0 HB VAL A 111 -1.133 1.048 -0.065 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -1.657 1.532 2.273 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -0.770 0.007 2.042 1.00 0.00 H new ATOM 0 HG13 VAL A 111 0.078 1.444 2.659 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -1.310 3.408 0.871 1.00 0.00 H new ATOM 0 HG22 VAL A 111 0.461 3.428 1.045 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -0.273 3.331 -0.574 1.00 0.00 H new ATOM 1277 N GLN A 112 2.173 -0.102 1.784 1.00 0.00 N ATOM 1278 CA GLN A 112 2.697 -1.124 2.675 1.00 0.00 C ATOM 1279 C GLN A 112 2.679 -0.535 4.068 1.00 0.00 C ATOM 1280 O GLN A 112 3.018 0.640 4.194 1.00 0.00 O ATOM 1281 CB GLN A 112 4.138 -1.487 2.259 1.00 0.00 C ATOM 1282 CG GLN A 112 4.755 -2.544 3.192 1.00 0.00 C ATOM 1283 CD GLN A 112 5.819 -3.400 2.506 1.00 0.00 C ATOM 1284 OE1 GLN A 112 5.703 -4.625 2.454 1.00 0.00 O ATOM 1285 NE2 GLN A 112 6.850 -2.787 1.945 1.00 0.00 N ATOM 0 H GLN A 112 2.387 0.838 2.118 1.00 0.00 H new ATOM 0 HA GLN A 112 2.100 -2.035 2.634 1.00 0.00 H new ATOM 0 HB2 GLN A 112 4.137 -1.862 1.236 1.00 0.00 H new ATOM 0 HB3 GLN A 112 4.756 -0.589 2.269 1.00 0.00 H new ATOM 0 HG2 GLN A 112 5.198 -2.045 4.054 1.00 0.00 H new ATOM 0 HG3 GLN A 112 3.964 -3.192 3.571 1.00 0.00 H new ATOM 0 HE21 GLN A 112 6.930 -1.772 1.998 1.00 0.00 H new ATOM 0 HE22 GLN A 112 7.564 -3.330 1.460 1.00 0.00 H new ATOM 1294 N GLY A 113 2.352 -1.333 5.081 1.00 0.00 N ATOM 1295 CA GLY A 113 2.570 -0.998 6.477 1.00 0.00 C ATOM 1296 C GLY A 113 1.831 -2.028 7.312 1.00 0.00 C ATOM 1297 O GLY A 113 2.319 -3.153 7.393 1.00 0.00 O ATOM 0 H GLY A 113 1.920 -2.247 4.947 1.00 0.00 H new ATOM 0 HA2 GLY A 113 3.634 -1.006 6.712 1.00 0.00 H new ATOM 0 HA3 GLY A 113 2.203 0.006 6.693 1.00 0.00 H new ATOM 1301 N GLU A 114 0.671 -1.710 7.890 1.00 0.00 N ATOM 1302 CA GLU A 114 -0.081 -2.597 8.762 1.00 0.00 C ATOM 1303 C GLU A 114 -1.571 -2.410 8.511 1.00 0.00 C ATOM 1304 O GLU A 114 -1.981 -1.395 7.949 1.00 0.00 O ATOM 1305 CB GLU A 114 0.262 -2.274 10.222 1.00 0.00 C ATOM 1306 CG GLU A 114 1.537 -2.989 10.687 1.00 0.00 C ATOM 1307 CD GLU A 114 1.843 -2.805 12.175 1.00 0.00 C ATOM 1308 OE1 GLU A 114 1.048 -3.242 13.041 1.00 0.00 O ATOM 1309 OE2 GLU A 114 2.969 -2.361 12.504 1.00 0.00 O ATOM 0 H GLU A 114 0.222 -0.804 7.757 1.00 0.00 H new ATOM 0 HA GLU A 114 0.180 -3.635 8.556 1.00 0.00 H new ATOM 0 HB2 GLU A 114 0.389 -1.197 10.334 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -0.571 -2.565 10.862 1.00 0.00 H new ATOM 0 HG2 GLU A 114 1.443 -4.054 10.474 1.00 0.00 H new ATOM 0 HG3 GLU A 114 2.381 -2.621 10.104 1.00 0.00 H new ATOM 1316 N LEU A 115 -2.383 -3.381 8.925 1.00 0.00 N ATOM 1317 CA LEU A 115 -3.832 -3.248 8.924 1.00 0.00 C ATOM 1318 C LEU A 115 -4.271 -2.469 10.170 1.00 0.00 C ATOM 1319 O LEU A 115 -3.649 -2.618 11.223 1.00 0.00 O ATOM 1320 CB LEU A 115 -4.428 -4.658 8.831 1.00 0.00 C ATOM 1321 CG LEU A 115 -5.879 -4.716 8.306 1.00 0.00 C ATOM 1322 CD1 LEU A 115 -6.045 -4.046 6.932 1.00 0.00 C ATOM 1323 CD2 LEU A 115 -6.398 -6.159 8.183 1.00 0.00 C ATOM 0 H LEU A 115 -2.051 -4.282 9.270 1.00 0.00 H new ATOM 0 HA LEU A 115 -4.196 -2.677 8.070 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -3.797 -5.262 8.179 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -4.396 -5.116 9.819 1.00 0.00 H new ATOM 0 HG LEU A 115 -6.459 -4.170 9.050 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -7.085 -4.118 6.615 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -5.759 -2.996 7.002 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -5.408 -4.548 6.203 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -7.422 -6.147 7.810 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -5.766 -6.715 7.490 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -6.374 -6.639 9.161 1.00 0.00 H new ATOM 1335 N GLU A 116 -5.313 -1.634 10.063 1.00 0.00 N ATOM 1336 CA GLU A 116 -5.795 -0.831 11.183 1.00 0.00 C ATOM 1337 C GLU A 116 -7.044 -1.467 11.780 1.00 0.00 C ATOM 1338 O GLU A 116 -6.965 -2.029 12.867 1.00 0.00 O ATOM 1339 CB GLU A 116 -6.031 0.609 10.721 1.00 0.00 C ATOM 1340 CG GLU A 116 -6.049 1.600 11.886 1.00 0.00 C ATOM 1341 CD GLU A 116 -7.449 1.831 12.434 1.00 0.00 C ATOM 1342 OE1 GLU A 116 -8.185 2.650 11.830 1.00 0.00 O ATOM 1343 OE2 GLU A 116 -7.785 1.228 13.475 1.00 0.00 O ATOM 0 H GLU A 116 -5.840 -1.500 9.200 1.00 0.00 H new ATOM 0 HA GLU A 116 -5.044 -0.800 11.973 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -5.249 0.894 10.017 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -6.979 0.665 10.185 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -5.407 1.228 12.684 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -5.630 2.551 11.556 1.00 0.00 H new ATOM 1350 N LYS A 117 -8.181 -1.388 11.075 1.00 0.00 N ATOM 1351 CA LYS A 117 -9.430 -2.089 11.339 1.00 0.00 C ATOM 1352 C LYS A 117 -10.287 -2.017 10.087 1.00 0.00 C ATOM 1353 O LYS A 117 -10.221 -2.942 9.273 1.00 0.00 O ATOM 1354 CB LYS A 117 -10.142 -1.522 12.581 1.00 0.00 C ATOM 1355 CG LYS A 117 -10.016 -2.487 13.769 1.00 0.00 C ATOM 1356 CD LYS A 117 -10.337 -1.812 15.106 1.00 0.00 C ATOM 1357 CE LYS A 117 -9.333 -0.709 15.455 1.00 0.00 C ATOM 1358 NZ LYS A 117 -7.940 -1.174 15.336 1.00 0.00 N ATOM 0 H LYS A 117 -8.249 -0.790 10.251 1.00 0.00 H new ATOM 0 HA LYS A 117 -9.233 -3.136 11.571 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -9.711 -0.556 12.844 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -11.195 -1.350 12.356 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -10.689 -3.331 13.621 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -9.003 -2.888 13.802 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -11.340 -1.388 15.065 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -10.340 -2.561 15.898 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -9.488 0.145 14.795 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -9.514 -0.362 16.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -7.300 -0.460 15.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -7.828 -2.070 15.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -7.707 -1.320 14.333 1.00 0.00 H new ATOM 1372 N GLY A 118 -11.031 -0.924 9.899 1.00 0.00 N ATOM 1373 CA GLY A 118 -12.162 -0.826 8.988 1.00 0.00 C ATOM 1374 C GLY A 118 -11.707 -0.675 7.549 1.00 0.00 C ATOM 1375 O GLY A 118 -11.806 0.412 6.983 1.00 0.00 O ATOM 0 H GLY A 118 -10.851 -0.053 10.398 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -12.784 -1.716 9.082 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -12.781 0.027 9.266 1.00 0.00 H new ATOM 1379 N ASN A 119 -11.204 -1.767 6.969 1.00 0.00 N ATOM 1380 CA ASN A 119 -10.561 -1.832 5.661 1.00 0.00 C ATOM 1381 C ASN A 119 -9.583 -0.671 5.486 1.00 0.00 C ATOM 1382 O ASN A 119 -9.545 -0.023 4.440 1.00 0.00 O ATOM 1383 CB ASN A 119 -11.588 -1.903 4.522 1.00 0.00 C ATOM 1384 CG ASN A 119 -12.685 -2.922 4.736 1.00 0.00 C ATOM 1385 OD1 ASN A 119 -13.861 -2.584 4.648 1.00 0.00 O ATOM 1386 ND2 ASN A 119 -12.342 -4.172 5.010 1.00 0.00 N ATOM 0 H ASN A 119 -11.238 -2.678 7.427 1.00 0.00 H new ATOM 0 HA ASN A 119 -9.988 -2.758 5.612 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -12.041 -0.920 4.395 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -11.068 -2.136 3.593 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -13.063 -4.879 5.153 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -11.357 -4.427 5.078 1.00 0.00 H new ATOM 1393 N HIS A 120 -8.762 -0.431 6.505 1.00 0.00 N ATOM 1394 CA HIS A 120 -7.877 0.712 6.595 1.00 0.00 C ATOM 1395 C HIS A 120 -6.456 0.206 6.747 1.00 0.00 C ATOM 1396 O HIS A 120 -6.209 -0.647 7.597 1.00 0.00 O ATOM 1397 CB HIS A 120 -8.303 1.565 7.787 1.00 0.00 C ATOM 1398 CG HIS A 120 -7.446 2.779 8.056 1.00 0.00 C ATOM 1399 ND1 HIS A 120 -7.380 3.493 9.238 1.00 0.00 N ATOM 1400 CD2 HIS A 120 -6.569 3.355 7.177 1.00 0.00 C ATOM 1401 CE1 HIS A 120 -6.477 4.474 9.064 1.00 0.00 C ATOM 1402 NE2 HIS A 120 -5.993 4.444 7.812 1.00 0.00 N ATOM 0 H HIS A 120 -8.697 -1.050 7.313 1.00 0.00 H new ATOM 0 HA HIS A 120 -7.929 1.330 5.698 1.00 0.00 H new ATOM 0 HB2 HIS A 120 -9.330 1.895 7.627 1.00 0.00 H new ATOM 0 HB3 HIS A 120 -8.304 0.938 8.679 1.00 0.00 H new ATOM 0 HD1 HIS A 120 -7.917 3.310 10.086 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -6.363 3.021 6.171 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -6.183 5.184 9.823 1.00 0.00 H new ATOM 1410 N ILE A 121 -5.547 0.712 5.920 1.00 0.00 N ATOM 1411 CA ILE A 121 -4.126 0.420 5.949 1.00 0.00 C ATOM 1412 C ILE A 121 -3.377 1.596 6.571 1.00 0.00 C ATOM 1413 O ILE A 121 -3.529 2.732 6.126 1.00 0.00 O ATOM 1414 CB ILE A 121 -3.637 0.190 4.503 1.00 0.00 C ATOM 1415 CG1 ILE A 121 -4.542 -0.697 3.622 1.00 0.00 C ATOM 1416 CG2 ILE A 121 -2.217 -0.377 4.563 1.00 0.00 C ATOM 1417 CD1 ILE A 121 -4.811 -2.072 4.224 1.00 0.00 C ATOM 0 H ILE A 121 -5.797 1.367 5.179 1.00 0.00 H new ATOM 0 HA ILE A 121 -3.939 -0.473 6.545 1.00 0.00 H new ATOM 0 HB ILE A 121 -3.667 1.161 4.009 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -5.492 -0.187 3.460 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -4.076 -0.821 2.644 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -1.850 -0.548 3.551 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -1.563 0.332 5.071 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -2.224 -1.320 5.110 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -5.453 -2.643 3.554 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -3.867 -2.600 4.360 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -5.305 -1.956 5.189 1.00 0.00 H new ATOM 1429 N LEU A 122 -2.471 1.329 7.503 1.00 0.00 N ATOM 1430 CA LEU A 122 -1.415 2.271 7.832 1.00 0.00 C ATOM 1431 C LEU A 122 -0.381 2.102 6.741 1.00 0.00 C ATOM 1432 O LEU A 122 0.202 1.026 6.605 1.00 0.00 O ATOM 1433 CB LEU A 122 -0.776 1.963 9.192 1.00 0.00 C ATOM 1434 CG LEU A 122 -1.532 2.515 10.405 1.00 0.00 C ATOM 1435 CD1 LEU A 122 -1.627 4.040 10.396 1.00 0.00 C ATOM 1436 CD2 LEU A 122 -2.942 1.953 10.496 1.00 0.00 C ATOM 0 H LEU A 122 -2.449 0.465 8.044 1.00 0.00 H new ATOM 0 HA LEU A 122 -1.809 3.285 7.896 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -0.689 0.882 9.299 1.00 0.00 H new ATOM 0 HB3 LEU A 122 0.237 2.366 9.200 1.00 0.00 H new ATOM 0 HG LEU A 122 -0.950 2.200 11.271 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -2.172 4.376 11.278 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -0.624 4.467 10.405 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -2.152 4.367 9.498 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -3.444 2.369 11.369 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -3.498 2.218 9.597 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -2.896 0.868 10.587 1.00 0.00 H new ATOM 1448 N ALA A 123 -0.184 3.130 5.932 1.00 0.00 N ATOM 1449 CA ALA A 123 0.906 3.206 4.986 1.00 0.00 C ATOM 1450 C ALA A 123 2.146 3.700 5.727 1.00 0.00 C ATOM 1451 O ALA A 123 2.097 4.743 6.374 1.00 0.00 O ATOM 1452 CB ALA A 123 0.545 4.207 3.894 1.00 0.00 C ATOM 0 H ALA A 123 -0.792 3.949 5.918 1.00 0.00 H new ATOM 0 HA ALA A 123 1.094 2.229 4.540 1.00 0.00 H new ATOM 0 HB1 ALA A 123 1.362 4.271 3.175 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -0.361 3.879 3.385 1.00 0.00 H new ATOM 0 HB3 ALA A 123 0.376 5.187 4.340 1.00 0.00 H new ATOM 1458 N LYS A 124 3.268 3.001 5.568 1.00 0.00 N ATOM 1459 CA LYS A 124 4.573 3.457 6.036 1.00 0.00 C ATOM 1460 C LYS A 124 5.345 4.199 4.946 1.00 0.00 C ATOM 1461 O LYS A 124 6.213 4.995 5.295 1.00 0.00 O ATOM 1462 CB LYS A 124 5.324 2.300 6.728 1.00 0.00 C ATOM 1463 CG LYS A 124 6.301 1.471 5.877 1.00 0.00 C ATOM 1464 CD LYS A 124 7.723 2.053 5.931 1.00 0.00 C ATOM 1465 CE LYS A 124 8.718 1.076 5.294 1.00 0.00 C ATOM 1466 NZ LYS A 124 10.092 1.615 5.251 1.00 0.00 N ATOM 0 H LYS A 124 3.296 2.092 5.105 1.00 0.00 H new ATOM 0 HA LYS A 124 4.444 4.216 6.807 1.00 0.00 H new ATOM 0 HB2 LYS A 124 5.881 2.716 7.568 1.00 0.00 H new ATOM 0 HB3 LYS A 124 4.581 1.619 7.144 1.00 0.00 H new ATOM 0 HG2 LYS A 124 6.314 0.441 6.234 1.00 0.00 H new ATOM 0 HG3 LYS A 124 5.955 1.446 4.844 1.00 0.00 H new ATOM 0 HD2 LYS A 124 7.753 3.008 5.407 1.00 0.00 H new ATOM 0 HD3 LYS A 124 8.005 2.248 6.966 1.00 0.00 H new ATOM 0 HE2 LYS A 124 8.715 0.142 5.856 1.00 0.00 H new ATOM 0 HE3 LYS A 124 8.392 0.840 4.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 10.725 0.917 4.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 10.103 2.492 4.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 10.416 1.816 6.218 1.00 0.00 H new ATOM 1480 N GLU A 125 5.039 3.984 3.654 1.00 0.00 N ATOM 1481 CA GLU A 125 5.920 4.472 2.586 1.00 0.00 C ATOM 1482 C GLU A 125 5.290 5.024 1.308 1.00 0.00 C ATOM 1483 O GLU A 125 5.860 5.976 0.792 1.00 0.00 O ATOM 1484 CB GLU A 125 6.966 3.392 2.271 1.00 0.00 C ATOM 1485 CG GLU A 125 6.409 2.111 1.636 1.00 0.00 C ATOM 1486 CD GLU A 125 7.505 1.052 1.489 1.00 0.00 C ATOM 1487 OE1 GLU A 125 8.477 1.318 0.752 1.00 0.00 O ATOM 1488 OE2 GLU A 125 7.419 -0.030 2.123 1.00 0.00 O ATOM 0 H GLU A 125 4.208 3.487 3.332 1.00 0.00 H new ATOM 0 HA GLU A 125 6.364 5.375 3.006 1.00 0.00 H new ATOM 0 HB2 GLU A 125 7.713 3.816 1.600 1.00 0.00 H new ATOM 0 HB3 GLU A 125 7.481 3.127 3.194 1.00 0.00 H new ATOM 0 HG2 GLU A 125 5.599 1.719 2.250 1.00 0.00 H new ATOM 0 HG3 GLU A 125 5.985 2.340 0.658 1.00 0.00 H new ATOM 1495 N VAL A 126 4.169 4.487 0.808 1.00 0.00 N ATOM 1496 CA VAL A 126 3.489 4.884 -0.441 1.00 0.00 C ATOM 1497 C VAL A 126 4.392 4.959 -1.689 1.00 0.00 C ATOM 1498 O VAL A 126 5.351 5.724 -1.780 1.00 0.00 O ATOM 1499 CB VAL A 126 2.716 6.200 -0.258 1.00 0.00 C ATOM 1500 CG1 VAL A 126 1.968 6.578 -1.554 1.00 0.00 C ATOM 1501 CG2 VAL A 126 1.649 6.091 0.831 1.00 0.00 C ATOM 0 H VAL A 126 3.685 3.726 1.284 1.00 0.00 H new ATOM 0 HA VAL A 126 2.793 4.069 -0.641 1.00 0.00 H new ATOM 0 HB VAL A 126 3.461 6.948 0.012 1.00 0.00 H new ATOM 0 HG11 VAL A 126 1.427 7.512 -1.403 1.00 0.00 H new ATOM 0 HG12 VAL A 126 2.685 6.701 -2.365 1.00 0.00 H new ATOM 0 HG13 VAL A 126 1.262 5.788 -1.810 1.00 0.00 H new ATOM 0 HG21 VAL A 126 1.128 7.044 0.926 1.00 0.00 H new ATOM 0 HG22 VAL A 126 0.935 5.312 0.564 1.00 0.00 H new ATOM 0 HG23 VAL A 126 2.122 5.840 1.780 1.00 0.00 H new ATOM 1511 N LEU A 127 4.048 4.200 -2.727 1.00 0.00 N ATOM 1512 CA LEU A 127 4.824 4.127 -3.956 1.00 0.00 C ATOM 1513 C LEU A 127 3.864 4.220 -5.134 1.00 0.00 C ATOM 1514 O LEU A 127 2.689 3.903 -4.983 1.00 0.00 O ATOM 1515 CB LEU A 127 5.589 2.804 -3.973 1.00 0.00 C ATOM 1516 CG LEU A 127 6.582 2.600 -2.798 1.00 0.00 C ATOM 1517 CD1 LEU A 127 6.296 1.276 -2.091 1.00 0.00 C ATOM 1518 CD2 LEU A 127 8.034 2.643 -3.271 1.00 0.00 C ATOM 0 H LEU A 127 3.214 3.614 -2.735 1.00 0.00 H new ATOM 0 HA LEU A 127 5.542 4.944 -4.021 1.00 0.00 H new ATOM 0 HB2 LEU A 127 4.869 1.986 -3.965 1.00 0.00 H new ATOM 0 HB3 LEU A 127 6.141 2.734 -4.910 1.00 0.00 H new ATOM 0 HG LEU A 127 6.439 3.421 -2.096 1.00 0.00 H new ATOM 0 HD11 LEU A 127 6.999 1.144 -1.268 1.00 0.00 H new ATOM 0 HD12 LEU A 127 5.278 1.284 -1.701 1.00 0.00 H new ATOM 0 HD13 LEU A 127 6.407 0.454 -2.799 1.00 0.00 H new ATOM 0 HD21 LEU A 127 8.699 2.496 -2.420 1.00 0.00 H new ATOM 0 HD22 LEU A 127 8.202 1.853 -4.003 1.00 0.00 H new ATOM 0 HD23 LEU A 127 8.239 3.611 -3.729 1.00 0.00 H new ATOM 1530 N ALA A 128 4.328 4.654 -6.306 1.00 0.00 N ATOM 1531 CA ALA A 128 3.462 5.018 -7.433 1.00 0.00 C ATOM 1532 C ALA A 128 3.631 4.069 -8.626 1.00 0.00 C ATOM 1533 O ALA A 128 3.477 4.499 -9.774 1.00 0.00 O ATOM 1534 CB ALA A 128 3.686 6.492 -7.798 1.00 0.00 C ATOM 0 H ALA A 128 5.323 4.764 -6.504 1.00 0.00 H new ATOM 0 HA ALA A 128 2.422 4.903 -7.129 1.00 0.00 H new ATOM 0 HB1 ALA A 128 3.042 6.761 -8.635 1.00 0.00 H new ATOM 0 HB2 ALA A 128 3.447 7.120 -6.940 1.00 0.00 H new ATOM 0 HB3 ALA A 128 4.728 6.643 -8.079 1.00 0.00 H new ATOM 1540 N LYS A 129 3.972 2.797 -8.371 1.00 0.00 N ATOM 1541 CA LYS A 129 4.317 1.807 -9.396 1.00 0.00 C ATOM 1542 C LYS A 129 5.206 2.396 -10.491 1.00 0.00 C ATOM 1543 O LYS A 129 4.892 2.395 -11.686 1.00 0.00 O ATOM 1544 CB LYS A 129 3.066 1.048 -9.876 1.00 0.00 C ATOM 1545 CG LYS A 129 2.584 0.046 -8.805 1.00 0.00 C ATOM 1546 CD LYS A 129 3.564 -1.133 -8.618 1.00 0.00 C ATOM 1547 CE LYS A 129 2.920 -2.485 -8.948 1.00 0.00 C ATOM 1548 NZ LYS A 129 3.897 -3.438 -9.509 1.00 0.00 N ATOM 0 H LYS A 129 4.016 2.422 -7.424 1.00 0.00 H new ATOM 0 HA LYS A 129 4.948 1.038 -8.950 1.00 0.00 H new ATOM 0 HB2 LYS A 129 2.269 1.757 -10.101 1.00 0.00 H new ATOM 0 HB3 LYS A 129 3.291 0.517 -10.801 1.00 0.00 H new ATOM 0 HG2 LYS A 129 2.460 0.566 -7.855 1.00 0.00 H new ATOM 0 HG3 LYS A 129 1.605 -0.340 -9.087 1.00 0.00 H new ATOM 0 HD2 LYS A 129 4.435 -0.983 -9.256 1.00 0.00 H new ATOM 0 HD3 LYS A 129 3.921 -1.145 -7.588 1.00 0.00 H new ATOM 0 HE2 LYS A 129 2.479 -2.907 -8.045 1.00 0.00 H new ATOM 0 HE3 LYS A 129 2.108 -2.336 -9.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 3.422 -4.339 -9.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 4.300 -3.047 -10.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 4.659 -3.600 -8.820 1.00 0.00 H new