USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 591 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 Single : A 81 HIS : no HE2:sc= -10! C(o=-10!,f=-16!) USER MOD Single : A 85 SER OG : rot -107:sc= -2.1! USER MOD Single : A 87 MET CE :methyl -166:sc= -0.115 (180deg=-0.54) USER MOD Single : A 90 THR OG1 : rot 180:sc= -1.81! USER MOD Single : A 92 TYR OH : rot 0:sc= -1.18! USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 GLN : amide:sc= -0.0427 X(o=-0.043,f=-0.043) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 ASN : amide:sc= -4.43! C(o=-4.4!,f=-4.8!) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0.048 USER MOD Single : A 116 CYS SG : rot 170:sc= -2.89! USER MOD Single : A 121 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 125 ASN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 126 GLN : amide:sc= -0.0997 X(o=-0.1,f=-0.14) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 SER OG : rot -28:sc= 0.957! USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 SER OG : rot 180:sc= 0.0161 USER MOD Single : A 144 GLN : amide:sc= -2.91! C(o=-2.9!,f=-4.3!) USER MOD ----------------------------------------------------------------- ATOM 66 N GLY A 80 -10.542 11.110 -2.839 1.00 0.00 N ATOM 67 CA GLY A 80 -9.311 10.349 -2.935 1.00 0.00 C ATOM 68 C GLY A 80 -8.876 9.773 -1.601 1.00 0.00 C ATOM 69 O GLY A 80 -9.558 9.941 -0.590 1.00 0.00 O ATOM 0 HA2 GLY A 80 -9.445 9.538 -3.651 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -8.521 10.991 -3.325 1.00 0.00 H new ATOM 73 N HIS A 81 -7.736 9.090 -1.601 1.00 0.00 N ATOM 74 CA HIS A 81 -7.204 8.484 -0.384 1.00 0.00 C ATOM 75 C HIS A 81 -5.990 7.618 -0.699 1.00 0.00 C ATOM 76 O HIS A 81 -6.106 6.402 -0.850 1.00 0.00 O ATOM 77 CB HIS A 81 -8.276 7.641 0.305 1.00 0.00 C ATOM 78 CG HIS A 81 -7.767 6.888 1.496 1.00 0.00 C ATOM 79 ND1 HIS A 81 -6.833 5.875 1.408 1.00 0.00 N ATOM 80 CD2 HIS A 81 -8.067 7.006 2.811 1.00 0.00 C ATOM 81 CE1 HIS A 81 -6.583 5.403 2.617 1.00 0.00 C ATOM 82 NE2 HIS A 81 -7.318 6.073 3.485 1.00 0.00 N ATOM 0 H HIS A 81 -7.162 8.942 -2.431 1.00 0.00 H new ATOM 0 HA HIS A 81 -6.897 9.286 0.287 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -9.093 8.291 0.618 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -8.689 6.933 -0.414 1.00 0.00 H new ATOM 0 HD1 HIS A 81 -6.403 5.543 0.545 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -8.765 7.704 3.248 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -5.895 4.605 2.854 1.00 0.00 H new ATOM 91 N ILE A 82 -4.829 8.252 -0.797 1.00 0.00 N ATOM 92 CA ILE A 82 -3.594 7.536 -1.094 1.00 0.00 C ATOM 93 C ILE A 82 -2.812 7.240 0.177 1.00 0.00 C ATOM 94 O ILE A 82 -3.195 7.656 1.270 1.00 0.00 O ATOM 95 CB ILE A 82 -2.682 8.330 -2.055 1.00 0.00 C ATOM 96 CG1 ILE A 82 -3.348 9.635 -2.483 1.00 0.00 C ATOM 97 CG2 ILE A 82 -2.326 7.486 -3.267 1.00 0.00 C ATOM 98 CD1 ILE A 82 -4.669 9.432 -3.184 1.00 0.00 C ATOM 0 H ILE A 82 -4.716 9.258 -0.676 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.890 6.603 -1.574 1.00 0.00 H new ATOM 0 HB ILE A 82 -1.762 8.579 -1.526 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -3.504 10.260 -1.604 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -2.674 10.178 -3.145 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -1.683 8.060 -3.934 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -1.802 6.587 -2.943 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -3.237 7.205 -3.795 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -5.087 10.400 -3.460 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -4.516 8.833 -4.082 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -5.359 8.916 -2.517 1.00 0.00 H new ATOM 110 N VAL A 83 -1.705 6.525 0.019 1.00 0.00 N ATOM 111 CA VAL A 83 -0.854 6.176 1.149 1.00 0.00 C ATOM 112 C VAL A 83 0.610 6.464 0.834 1.00 0.00 C ATOM 113 O VAL A 83 1.508 5.812 1.366 1.00 0.00 O ATOM 114 CB VAL A 83 -1.012 4.692 1.546 1.00 0.00 C ATOM 115 CG1 VAL A 83 -0.159 3.794 0.659 1.00 0.00 C ATOM 116 CG2 VAL A 83 -0.656 4.492 3.012 1.00 0.00 C ATOM 0 H VAL A 83 -1.376 6.176 -0.881 1.00 0.00 H new ATOM 0 HA VAL A 83 -1.171 6.793 1.989 1.00 0.00 H new ATOM 0 HB VAL A 83 -2.056 4.412 1.402 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -0.290 2.755 0.961 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -0.466 3.911 -0.380 1.00 0.00 H new ATOM 0 HG13 VAL A 83 0.890 4.072 0.761 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.773 3.441 3.275 1.00 0.00 H new ATOM 0 HG22 VAL A 83 0.377 4.795 3.180 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -1.317 5.097 3.633 1.00 0.00 H new ATOM 126 N ARG A 84 0.833 7.446 -0.041 1.00 0.00 N ATOM 127 CA ARG A 84 2.181 7.841 -0.448 1.00 0.00 C ATOM 128 C ARG A 84 3.209 7.510 0.626 1.00 0.00 C ATOM 129 O ARG A 84 3.119 7.990 1.756 1.00 0.00 O ATOM 130 CB ARG A 84 2.218 9.338 -0.757 1.00 0.00 C ATOM 131 CG ARG A 84 1.307 10.165 0.135 1.00 0.00 C ATOM 132 CD ARG A 84 1.621 11.649 0.034 1.00 0.00 C ATOM 133 NE ARG A 84 1.172 12.384 1.213 1.00 0.00 N ATOM 134 CZ ARG A 84 1.290 13.701 1.348 1.00 0.00 C ATOM 135 NH1 ARG A 84 1.841 14.422 0.381 1.00 0.00 N ATOM 136 NH2 ARG A 84 0.856 14.298 2.450 1.00 0.00 N ATOM 0 H ARG A 84 0.090 7.986 -0.484 1.00 0.00 H new ATOM 0 HA ARG A 84 2.437 7.277 -1.345 1.00 0.00 H new ATOM 0 HB2 ARG A 84 3.241 9.698 -0.650 1.00 0.00 H new ATOM 0 HB3 ARG A 84 1.933 9.493 -1.797 1.00 0.00 H new ATOM 0 HG2 ARG A 84 0.268 9.993 -0.146 1.00 0.00 H new ATOM 0 HG3 ARG A 84 1.416 9.839 1.169 1.00 0.00 H new ATOM 0 HD2 ARG A 84 2.695 11.785 -0.091 1.00 0.00 H new ATOM 0 HD3 ARG A 84 1.143 12.061 -0.854 1.00 0.00 H new ATOM 0 HE ARG A 84 0.744 11.858 1.975 1.00 0.00 H new ATOM 0 HH11 ARG A 84 2.175 13.966 -0.468 1.00 0.00 H new ATOM 0 HH12 ARG A 84 1.931 15.433 0.486 1.00 0.00 H new ATOM 0 HH21 ARG A 84 0.431 13.746 3.195 1.00 0.00 H new ATOM 0 HH22 ARG A 84 0.947 15.309 2.552 1.00 0.00 H new ATOM 150 N SER A 85 4.185 6.683 0.265 1.00 0.00 N ATOM 151 CA SER A 85 5.229 6.285 1.200 1.00 0.00 C ATOM 152 C SER A 85 5.640 7.456 2.084 1.00 0.00 C ATOM 153 O SER A 85 6.162 8.458 1.599 1.00 0.00 O ATOM 154 CB SER A 85 6.446 5.751 0.442 1.00 0.00 C ATOM 155 OG SER A 85 6.988 4.610 1.085 1.00 0.00 O ATOM 0 H SER A 85 4.274 6.277 -0.666 1.00 0.00 H new ATOM 0 HA SER A 85 4.831 5.494 1.836 1.00 0.00 H new ATOM 0 HB2 SER A 85 6.159 5.495 -0.578 1.00 0.00 H new ATOM 0 HB3 SER A 85 7.206 6.529 0.374 1.00 0.00 H new ATOM 0 HG SER A 85 7.836 4.849 1.515 1.00 0.00 H new ATOM 161 N PRO A 86 5.410 7.342 3.401 1.00 0.00 N ATOM 162 CA PRO A 86 5.761 8.395 4.359 1.00 0.00 C ATOM 163 C PRO A 86 7.269 8.526 4.533 1.00 0.00 C ATOM 164 O PRO A 86 7.754 9.468 5.161 1.00 0.00 O ATOM 165 CB PRO A 86 5.109 7.924 5.659 1.00 0.00 C ATOM 166 CG PRO A 86 5.015 6.444 5.522 1.00 0.00 C ATOM 167 CD PRO A 86 4.792 6.177 4.059 1.00 0.00 C ATOM 0 HA PRO A 86 5.422 9.379 4.033 1.00 0.00 H new ATOM 0 HB2 PRO A 86 5.707 8.204 6.526 1.00 0.00 H new ATOM 0 HB3 PRO A 86 4.125 8.372 5.793 1.00 0.00 H new ATOM 0 HG2 PRO A 86 5.927 5.961 5.872 1.00 0.00 H new ATOM 0 HG3 PRO A 86 4.195 6.048 6.120 1.00 0.00 H new ATOM 0 HD2 PRO A 86 5.259 5.244 3.745 1.00 0.00 H new ATOM 0 HD3 PRO A 86 3.731 6.098 3.822 1.00 0.00 H new ATOM 175 N MET A 87 8.004 7.575 3.967 1.00 0.00 N ATOM 176 CA MET A 87 9.459 7.576 4.050 1.00 0.00 C ATOM 177 C MET A 87 10.067 6.891 2.831 1.00 0.00 C ATOM 178 O MET A 87 9.371 6.609 1.855 1.00 0.00 O ATOM 179 CB MET A 87 9.921 6.875 5.330 1.00 0.00 C ATOM 180 CG MET A 87 9.424 5.444 5.455 1.00 0.00 C ATOM 181 SD MET A 87 9.655 4.771 7.112 1.00 0.00 S ATOM 182 CE MET A 87 11.386 5.140 7.388 1.00 0.00 C ATOM 0 H MET A 87 7.614 6.791 3.444 1.00 0.00 H new ATOM 0 HA MET A 87 9.799 8.611 4.073 1.00 0.00 H new ATOM 0 HB2 MET A 87 11.011 6.876 5.362 1.00 0.00 H new ATOM 0 HB3 MET A 87 9.577 7.447 6.192 1.00 0.00 H new ATOM 0 HG2 MET A 87 8.366 5.407 5.196 1.00 0.00 H new ATOM 0 HG3 MET A 87 9.950 4.817 4.736 1.00 0.00 H new ATOM 0 HE1 MET A 87 11.745 4.577 8.249 1.00 0.00 H new ATOM 0 HE2 MET A 87 11.963 4.861 6.506 1.00 0.00 H new ATOM 0 HE3 MET A 87 11.505 6.207 7.577 1.00 0.00 H new ATOM 192 N VAL A 88 11.366 6.625 2.892 1.00 0.00 N ATOM 193 CA VAL A 88 12.062 5.972 1.789 1.00 0.00 C ATOM 194 C VAL A 88 12.012 4.454 1.929 1.00 0.00 C ATOM 195 O VAL A 88 12.952 3.837 2.430 1.00 0.00 O ATOM 196 CB VAL A 88 13.532 6.422 1.709 1.00 0.00 C ATOM 197 CG1 VAL A 88 13.620 7.913 1.423 1.00 0.00 C ATOM 198 CG2 VAL A 88 14.268 6.073 2.993 1.00 0.00 C ATOM 0 H VAL A 88 11.958 6.851 3.691 1.00 0.00 H new ATOM 0 HA VAL A 88 11.550 6.266 0.873 1.00 0.00 H new ATOM 0 HB VAL A 88 14.011 5.890 0.887 1.00 0.00 H new ATOM 0 HG11 VAL A 88 14.667 8.212 1.370 1.00 0.00 H new ATOM 0 HG12 VAL A 88 13.132 8.131 0.473 1.00 0.00 H new ATOM 0 HG13 VAL A 88 13.124 8.466 2.221 1.00 0.00 H new ATOM 0 HG21 VAL A 88 15.305 6.399 2.918 1.00 0.00 H new ATOM 0 HG22 VAL A 88 13.790 6.575 3.834 1.00 0.00 H new ATOM 0 HG23 VAL A 88 14.237 4.995 3.149 1.00 0.00 H new ATOM 208 N GLY A 89 10.910 3.857 1.485 1.00 0.00 N ATOM 209 CA GLY A 89 10.759 2.415 1.572 1.00 0.00 C ATOM 210 C GLY A 89 10.424 1.782 0.235 1.00 0.00 C ATOM 211 O GLY A 89 10.958 2.183 -0.799 1.00 0.00 O ATOM 0 H GLY A 89 10.119 4.346 1.066 1.00 0.00 H new ATOM 0 HA2 GLY A 89 11.682 1.979 1.955 1.00 0.00 H new ATOM 0 HA3 GLY A 89 9.973 2.178 2.289 1.00 0.00 H new ATOM 215 N THR A 90 9.536 0.791 0.254 1.00 0.00 N ATOM 216 CA THR A 90 9.132 0.104 -0.968 1.00 0.00 C ATOM 217 C THR A 90 7.674 -0.336 -0.899 1.00 0.00 C ATOM 218 O THR A 90 7.256 -0.998 0.050 1.00 0.00 O ATOM 219 CB THR A 90 10.023 -1.115 -1.215 1.00 0.00 C ATOM 220 OG1 THR A 90 11.296 -0.720 -1.693 1.00 0.00 O ATOM 221 CG2 THR A 90 9.436 -2.090 -2.217 1.00 0.00 C ATOM 0 H THR A 90 9.084 0.447 1.101 1.00 0.00 H new ATOM 0 HA THR A 90 9.243 0.807 -1.793 1.00 0.00 H new ATOM 0 HB THR A 90 10.104 -1.614 -0.249 1.00 0.00 H new ATOM 0 HG1 THR A 90 11.850 -1.514 -1.843 1.00 0.00 H new ATOM 0 HG21 THR A 90 10.116 -2.932 -2.347 1.00 0.00 H new ATOM 0 HG22 THR A 90 8.475 -2.453 -1.852 1.00 0.00 H new ATOM 0 HG23 THR A 90 9.294 -1.587 -3.174 1.00 0.00 H new ATOM 229 N PHE A 91 6.907 0.028 -1.922 1.00 0.00 N ATOM 230 CA PHE A 91 5.497 -0.337 -1.992 1.00 0.00 C ATOM 231 C PHE A 91 5.354 -1.805 -2.370 1.00 0.00 C ATOM 232 O PHE A 91 6.085 -2.300 -3.226 1.00 0.00 O ATOM 233 CB PHE A 91 4.781 0.543 -3.019 1.00 0.00 C ATOM 234 CG PHE A 91 3.409 0.057 -3.400 1.00 0.00 C ATOM 235 CD1 PHE A 91 3.235 -0.831 -4.463 1.00 0.00 C ATOM 236 CD2 PHE A 91 2.285 0.497 -2.704 1.00 0.00 C ATOM 237 CE1 PHE A 91 1.968 -1.265 -4.817 1.00 0.00 C ATOM 238 CE2 PHE A 91 1.020 0.065 -3.060 1.00 0.00 C ATOM 239 CZ PHE A 91 0.862 -0.815 -4.116 1.00 0.00 C ATOM 0 H PHE A 91 7.239 0.576 -2.715 1.00 0.00 H new ATOM 0 HA PHE A 91 5.042 -0.181 -1.014 1.00 0.00 H new ATOM 0 HB2 PHE A 91 4.698 1.554 -2.619 1.00 0.00 H new ATOM 0 HB3 PHE A 91 5.394 0.605 -3.918 1.00 0.00 H new ATOM 0 HD1 PHE A 91 4.095 -1.182 -5.014 1.00 0.00 H new ATOM 0 HD2 PHE A 91 2.403 1.183 -1.878 1.00 0.00 H new ATOM 0 HE1 PHE A 91 1.843 -1.954 -5.639 1.00 0.00 H new ATOM 0 HE2 PHE A 91 0.156 0.414 -2.514 1.00 0.00 H new ATOM 0 HZ PHE A 91 -0.126 -1.152 -4.394 1.00 0.00 H new ATOM 249 N TYR A 92 4.417 -2.497 -1.729 1.00 0.00 N ATOM 250 CA TYR A 92 4.188 -3.913 -2.005 1.00 0.00 C ATOM 251 C TYR A 92 2.704 -4.253 -1.947 1.00 0.00 C ATOM 252 O TYR A 92 1.921 -3.560 -1.297 1.00 0.00 O ATOM 253 CB TYR A 92 4.956 -4.784 -1.011 1.00 0.00 C ATOM 254 CG TYR A 92 6.445 -4.822 -1.266 1.00 0.00 C ATOM 255 CD1 TYR A 92 6.945 -4.922 -2.564 1.00 0.00 C ATOM 256 CD2 TYR A 92 7.354 -4.750 -0.213 1.00 0.00 C ATOM 257 CE1 TYR A 92 8.312 -4.950 -2.803 1.00 0.00 C ATOM 258 CE2 TYR A 92 8.720 -4.779 -0.443 1.00 0.00 C ATOM 259 CZ TYR A 92 9.193 -4.878 -1.739 1.00 0.00 C ATOM 260 OH TYR A 92 10.550 -4.906 -1.972 1.00 0.00 O ATOM 0 H TYR A 92 3.804 -2.102 -1.016 1.00 0.00 H new ATOM 0 HA TYR A 92 4.550 -4.116 -3.013 1.00 0.00 H new ATOM 0 HB2 TYR A 92 4.778 -4.413 -0.002 1.00 0.00 H new ATOM 0 HB3 TYR A 92 4.563 -5.800 -1.051 1.00 0.00 H new ATOM 0 HD1 TYR A 92 6.258 -4.979 -3.396 1.00 0.00 H new ATOM 0 HD2 TYR A 92 6.988 -4.670 0.800 1.00 0.00 H new ATOM 0 HE1 TYR A 92 8.685 -5.028 -3.813 1.00 0.00 H new ATOM 0 HE2 TYR A 92 9.411 -4.725 0.385 1.00 0.00 H new ATOM 0 HH TYR A 92 10.715 -4.980 -2.935 1.00 0.00 H new ATOM 270 N ARG A 93 2.326 -5.328 -2.630 1.00 0.00 N ATOM 271 CA ARG A 93 0.938 -5.770 -2.659 1.00 0.00 C ATOM 272 C ARG A 93 0.854 -7.292 -2.644 1.00 0.00 C ATOM 273 O ARG A 93 0.037 -7.886 -3.349 1.00 0.00 O ATOM 274 CB ARG A 93 0.229 -5.220 -3.896 1.00 0.00 C ATOM 275 CG ARG A 93 0.818 -5.716 -5.206 1.00 0.00 C ATOM 276 CD ARG A 93 0.030 -5.204 -6.401 1.00 0.00 C ATOM 277 NE ARG A 93 0.124 -6.107 -7.545 1.00 0.00 N ATOM 278 CZ ARG A 93 -0.571 -7.236 -7.650 1.00 0.00 C ATOM 279 NH1 ARG A 93 -1.408 -7.594 -6.687 1.00 0.00 N ATOM 280 NH2 ARG A 93 -0.428 -8.007 -8.719 1.00 0.00 N ATOM 0 H ARG A 93 2.964 -5.910 -3.172 1.00 0.00 H new ATOM 0 HA ARG A 93 0.442 -5.387 -1.767 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -0.825 -5.496 -3.853 1.00 0.00 H new ATOM 0 HB3 ARG A 93 0.274 -4.131 -3.876 1.00 0.00 H new ATOM 0 HG2 ARG A 93 1.855 -5.390 -5.286 1.00 0.00 H new ATOM 0 HG3 ARG A 93 0.825 -6.806 -5.213 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -1.016 -5.082 -6.120 1.00 0.00 H new ATOM 0 HD3 ARG A 93 0.401 -4.219 -6.685 1.00 0.00 H new ATOM 0 HE ARG A 93 0.757 -5.858 -8.305 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -1.520 -7.003 -5.863 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -1.940 -8.460 -6.770 1.00 0.00 H new ATOM 0 HH21 ARG A 93 0.216 -7.734 -9.462 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -0.962 -8.873 -8.798 1.00 0.00 H new ATOM 294 N THR A 94 1.703 -7.919 -1.836 1.00 0.00 N ATOM 295 CA THR A 94 1.725 -9.372 -1.728 1.00 0.00 C ATOM 296 C THR A 94 2.088 -9.806 -0.311 1.00 0.00 C ATOM 297 O THR A 94 3.264 -9.894 0.042 1.00 0.00 O ATOM 298 CB THR A 94 2.720 -9.967 -2.726 1.00 0.00 C ATOM 299 OG1 THR A 94 3.822 -9.097 -2.914 1.00 0.00 O ATOM 300 CG2 THR A 94 2.113 -10.239 -4.086 1.00 0.00 C ATOM 0 H THR A 94 2.385 -7.442 -1.246 1.00 0.00 H new ATOM 0 HA THR A 94 0.726 -9.742 -1.959 1.00 0.00 H new ATOM 0 HB THR A 94 3.035 -10.915 -2.290 1.00 0.00 H new ATOM 0 HG1 THR A 94 4.448 -9.496 -3.554 1.00 0.00 H new ATOM 0 HG21 THR A 94 2.872 -10.660 -4.746 1.00 0.00 H new ATOM 0 HG22 THR A 94 1.290 -10.946 -3.982 1.00 0.00 H new ATOM 0 HG23 THR A 94 1.740 -9.307 -4.511 1.00 0.00 H new ATOM 308 N PRO A 95 1.073 -10.079 0.521 1.00 0.00 N ATOM 309 CA PRO A 95 1.276 -10.505 1.909 1.00 0.00 C ATOM 310 C PRO A 95 1.873 -11.905 2.006 1.00 0.00 C ATOM 311 O PRO A 95 2.719 -12.172 2.859 1.00 0.00 O ATOM 312 CB PRO A 95 -0.136 -10.483 2.500 1.00 0.00 C ATOM 313 CG PRO A 95 -1.040 -10.663 1.330 1.00 0.00 C ATOM 314 CD PRO A 95 -0.356 -9.994 0.170 1.00 0.00 C ATOM 0 HA PRO A 95 1.981 -9.859 2.433 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -0.271 -11.280 3.231 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -0.336 -9.542 3.013 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -1.208 -11.720 1.126 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -2.016 -10.215 1.518 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -0.570 -10.502 -0.770 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -0.681 -8.960 0.054 1.00 0.00 H new ATOM 322 N SER A 96 1.426 -12.796 1.128 1.00 0.00 N ATOM 323 CA SER A 96 1.917 -14.169 1.116 1.00 0.00 C ATOM 324 C SER A 96 2.350 -14.581 -0.286 1.00 0.00 C ATOM 325 O SER A 96 1.956 -13.965 -1.276 1.00 0.00 O ATOM 326 CB SER A 96 0.838 -15.123 1.632 1.00 0.00 C ATOM 327 OG SER A 96 0.529 -14.859 2.990 1.00 0.00 O ATOM 0 H SER A 96 0.725 -12.592 0.416 1.00 0.00 H new ATOM 0 HA SER A 96 2.785 -14.224 1.774 1.00 0.00 H new ATOM 0 HB2 SER A 96 -0.062 -15.022 1.025 1.00 0.00 H new ATOM 0 HB3 SER A 96 1.179 -16.153 1.527 1.00 0.00 H new ATOM 0 HG SER A 96 -0.164 -15.481 3.295 1.00 0.00 H new ATOM 333 N PRO A 97 3.170 -15.638 -0.384 1.00 0.00 N ATOM 334 CA PRO A 97 3.662 -16.143 -1.670 1.00 0.00 C ATOM 335 C PRO A 97 2.530 -16.429 -2.650 1.00 0.00 C ATOM 336 O PRO A 97 1.862 -17.459 -2.559 1.00 0.00 O ATOM 337 CB PRO A 97 4.382 -17.440 -1.292 1.00 0.00 C ATOM 338 CG PRO A 97 4.764 -17.261 0.136 1.00 0.00 C ATOM 339 CD PRO A 97 3.679 -16.423 0.753 1.00 0.00 C ATOM 0 HA PRO A 97 4.300 -15.418 -2.175 1.00 0.00 H new ATOM 0 HB2 PRO A 97 3.732 -18.305 -1.422 1.00 0.00 H new ATOM 0 HB3 PRO A 97 5.259 -17.603 -1.919 1.00 0.00 H new ATOM 0 HG2 PRO A 97 4.849 -18.223 0.641 1.00 0.00 H new ATOM 0 HG3 PRO A 97 5.733 -16.770 0.222 1.00 0.00 H new ATOM 0 HD2 PRO A 97 2.898 -17.040 1.198 1.00 0.00 H new ATOM 0 HD3 PRO A 97 4.067 -15.781 1.544 1.00 0.00 H new ATOM 347 N ASP A 98 2.318 -15.511 -3.587 1.00 0.00 N ATOM 348 CA ASP A 98 1.266 -15.666 -4.585 1.00 0.00 C ATOM 349 C ASP A 98 -0.110 -15.682 -3.926 1.00 0.00 C ATOM 350 O ASP A 98 -1.008 -16.404 -4.358 1.00 0.00 O ATOM 351 CB ASP A 98 1.476 -16.955 -5.382 1.00 0.00 C ATOM 352 CG ASP A 98 2.133 -16.705 -6.725 1.00 0.00 C ATOM 353 OD1 ASP A 98 2.791 -15.653 -6.878 1.00 0.00 O ATOM 354 OD2 ASP A 98 1.991 -17.560 -7.624 1.00 0.00 O ATOM 0 H ASP A 98 2.861 -14.652 -3.676 1.00 0.00 H new ATOM 0 HA ASP A 98 1.315 -14.815 -5.264 1.00 0.00 H new ATOM 0 HB2 ASP A 98 2.092 -17.641 -4.801 1.00 0.00 H new ATOM 0 HB3 ASP A 98 0.514 -17.444 -5.537 1.00 0.00 H new ATOM 359 N ALA A 99 -0.267 -14.878 -2.877 1.00 0.00 N ATOM 360 CA ALA A 99 -1.533 -14.800 -2.158 1.00 0.00 C ATOM 361 C ALA A 99 -2.556 -13.978 -2.933 1.00 0.00 C ATOM 362 O ALA A 99 -2.447 -13.818 -4.149 1.00 0.00 O ATOM 363 CB ALA A 99 -1.316 -14.209 -0.773 1.00 0.00 C ATOM 0 H ALA A 99 0.466 -14.273 -2.508 1.00 0.00 H new ATOM 0 HA ALA A 99 -1.926 -15.811 -2.052 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -2.269 -14.156 -0.247 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -0.626 -14.840 -0.212 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -0.897 -13.207 -0.867 1.00 0.00 H new ATOM 369 N LYS A 100 -3.552 -13.459 -2.222 1.00 0.00 N ATOM 370 CA LYS A 100 -4.596 -12.652 -2.843 1.00 0.00 C ATOM 371 C LYS A 100 -4.207 -11.178 -2.864 1.00 0.00 C ATOM 372 O LYS A 100 -5.066 -10.299 -2.938 1.00 0.00 O ATOM 373 CB LYS A 100 -5.920 -12.831 -2.098 1.00 0.00 C ATOM 374 CG LYS A 100 -6.306 -14.286 -1.884 1.00 0.00 C ATOM 375 CD LYS A 100 -6.861 -14.516 -0.488 1.00 0.00 C ATOM 376 CE LYS A 100 -8.355 -14.796 -0.523 1.00 0.00 C ATOM 377 NZ LYS A 100 -8.645 -16.238 -0.754 1.00 0.00 N ATOM 0 H LYS A 100 -3.658 -13.583 -1.215 1.00 0.00 H new ATOM 0 HA LYS A 100 -4.717 -12.991 -3.872 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -5.852 -12.336 -1.129 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -6.712 -12.332 -2.657 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -7.050 -14.579 -2.625 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -5.434 -14.921 -2.039 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -6.343 -15.355 -0.023 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -6.668 -13.640 0.131 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -8.805 -14.482 0.419 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -8.817 -14.202 -1.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -9.674 -16.387 -0.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -8.238 -16.533 -1.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -8.226 -16.803 0.012 1.00 0.00 H new ATOM 391 N ALA A 101 -2.905 -10.914 -2.800 1.00 0.00 N ATOM 392 CA ALA A 101 -2.401 -9.547 -2.813 1.00 0.00 C ATOM 393 C ALA A 101 -2.785 -8.806 -1.537 1.00 0.00 C ATOM 394 O ALA A 101 -3.719 -9.197 -0.837 1.00 0.00 O ATOM 395 CB ALA A 101 -2.923 -8.803 -4.034 1.00 0.00 C ATOM 0 H ALA A 101 -2.181 -11.630 -2.739 1.00 0.00 H new ATOM 0 HA ALA A 101 -1.313 -9.589 -2.863 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -2.538 -7.783 -4.031 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.593 -9.312 -4.939 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -4.012 -8.780 -4.008 1.00 0.00 H new ATOM 401 N PHE A 102 -2.057 -7.734 -1.240 1.00 0.00 N ATOM 402 CA PHE A 102 -2.318 -6.936 -0.048 1.00 0.00 C ATOM 403 C PHE A 102 -3.412 -5.906 -0.314 1.00 0.00 C ATOM 404 O PHE A 102 -4.331 -5.741 0.487 1.00 0.00 O ATOM 405 CB PHE A 102 -1.038 -6.231 0.408 1.00 0.00 C ATOM 406 CG PHE A 102 -0.720 -6.439 1.862 1.00 0.00 C ATOM 407 CD1 PHE A 102 -1.726 -6.744 2.772 1.00 0.00 C ATOM 408 CD2 PHE A 102 0.590 -6.330 2.321 1.00 0.00 C ATOM 409 CE1 PHE A 102 -1.434 -6.936 4.114 1.00 0.00 C ATOM 410 CE2 PHE A 102 0.888 -6.521 3.661 1.00 0.00 C ATOM 411 CZ PHE A 102 -0.125 -6.824 4.558 1.00 0.00 C ATOM 0 H PHE A 102 -1.281 -7.398 -1.810 1.00 0.00 H new ATOM 0 HA PHE A 102 -2.658 -7.606 0.742 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -0.202 -6.590 -0.193 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -1.134 -5.162 0.215 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -2.747 -6.832 2.430 1.00 0.00 H new ATOM 0 HD2 PHE A 102 1.382 -6.094 1.626 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -2.224 -7.172 4.812 1.00 0.00 H new ATOM 0 HE2 PHE A 102 1.908 -6.434 4.006 1.00 0.00 H new ATOM 0 HZ PHE A 102 0.105 -6.973 5.603 1.00 0.00 H new ATOM 421 N ILE A 103 -3.304 -5.217 -1.445 1.00 0.00 N ATOM 422 CA ILE A 103 -4.283 -4.203 -1.820 1.00 0.00 C ATOM 423 C ILE A 103 -4.171 -3.855 -3.300 1.00 0.00 C ATOM 424 O ILE A 103 -3.182 -3.267 -3.737 1.00 0.00 O ATOM 425 CB ILE A 103 -4.108 -2.918 -0.987 1.00 0.00 C ATOM 426 CG1 ILE A 103 -2.623 -2.590 -0.822 1.00 0.00 C ATOM 427 CG2 ILE A 103 -4.777 -3.072 0.370 1.00 0.00 C ATOM 428 CD1 ILE A 103 -2.172 -1.399 -1.639 1.00 0.00 C ATOM 0 H ILE A 103 -2.548 -5.342 -2.118 1.00 0.00 H new ATOM 0 HA ILE A 103 -5.268 -4.624 -1.621 1.00 0.00 H new ATOM 0 HB ILE A 103 -4.586 -2.092 -1.514 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -2.417 -2.397 0.231 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -2.033 -3.461 -1.108 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -4.645 -2.157 0.947 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -5.841 -3.263 0.231 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -4.325 -3.907 0.906 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -1.109 -1.225 -1.472 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -2.346 -1.596 -2.697 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -2.736 -0.516 -1.337 1.00 0.00 H new ATOM 440 N GLU A 104 -5.193 -4.222 -4.067 1.00 0.00 N ATOM 441 CA GLU A 104 -5.209 -3.948 -5.498 1.00 0.00 C ATOM 442 C GLU A 104 -6.451 -3.152 -5.886 1.00 0.00 C ATOM 443 O GLU A 104 -7.346 -2.942 -5.067 1.00 0.00 O ATOM 444 CB GLU A 104 -5.161 -5.258 -6.288 1.00 0.00 C ATOM 445 CG GLU A 104 -6.484 -6.007 -6.302 1.00 0.00 C ATOM 446 CD GLU A 104 -6.355 -7.403 -6.880 1.00 0.00 C ATOM 447 OE1 GLU A 104 -6.349 -7.533 -8.121 1.00 0.00 O ATOM 448 OE2 GLU A 104 -6.260 -8.366 -6.090 1.00 0.00 O ATOM 0 H GLU A 104 -6.020 -4.709 -3.721 1.00 0.00 H new ATOM 0 HA GLU A 104 -4.329 -3.352 -5.739 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -4.863 -5.043 -7.314 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -4.392 -5.902 -5.861 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -6.871 -6.073 -5.285 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -7.212 -5.442 -6.885 1.00 0.00 H new ATOM 455 N VAL A 105 -6.497 -2.708 -7.137 1.00 0.00 N ATOM 456 CA VAL A 105 -7.629 -1.935 -7.632 1.00 0.00 C ATOM 457 C VAL A 105 -8.947 -2.647 -7.351 1.00 0.00 C ATOM 458 O VAL A 105 -9.177 -3.759 -7.827 1.00 0.00 O ATOM 459 CB VAL A 105 -7.512 -1.674 -9.145 1.00 0.00 C ATOM 460 CG1 VAL A 105 -8.587 -0.700 -9.605 1.00 0.00 C ATOM 461 CG2 VAL A 105 -6.126 -1.152 -9.490 1.00 0.00 C ATOM 0 H VAL A 105 -5.763 -2.870 -7.827 1.00 0.00 H new ATOM 0 HA VAL A 105 -7.615 -0.982 -7.104 1.00 0.00 H new ATOM 0 HB VAL A 105 -7.662 -2.617 -9.671 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -8.488 -0.528 -10.677 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -9.571 -1.118 -9.394 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -8.473 0.245 -9.074 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -6.061 -0.973 -10.563 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -5.945 -0.220 -8.955 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -5.377 -1.889 -9.199 1.00 0.00 H new ATOM 471 N GLY A 106 -9.811 -1.999 -6.577 1.00 0.00 N ATOM 472 CA GLY A 106 -11.097 -2.586 -6.248 1.00 0.00 C ATOM 473 C GLY A 106 -11.170 -3.055 -4.808 1.00 0.00 C ATOM 474 O GLY A 106 -12.222 -3.496 -4.344 1.00 0.00 O ATOM 0 H GLY A 106 -9.644 -1.078 -6.172 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -11.884 -1.854 -6.428 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -11.288 -3.429 -6.912 1.00 0.00 H new ATOM 478 N GLN A 107 -10.051 -2.962 -4.097 1.00 0.00 N ATOM 479 CA GLN A 107 -9.993 -3.382 -2.702 1.00 0.00 C ATOM 480 C GLN A 107 -10.710 -2.382 -1.800 1.00 0.00 C ATOM 481 O GLN A 107 -10.460 -1.179 -1.870 1.00 0.00 O ATOM 482 CB GLN A 107 -8.537 -3.538 -2.255 1.00 0.00 C ATOM 483 CG GLN A 107 -8.155 -4.969 -1.915 1.00 0.00 C ATOM 484 CD GLN A 107 -8.895 -5.498 -0.702 1.00 0.00 C ATOM 485 OE1 GLN A 107 -8.814 -4.930 0.386 1.00 0.00 O ATOM 486 NE2 GLN A 107 -9.621 -6.596 -0.885 1.00 0.00 N ATOM 0 H GLN A 107 -9.171 -2.599 -4.465 1.00 0.00 H new ATOM 0 HA GLN A 107 -10.498 -4.344 -2.618 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -7.882 -3.174 -3.046 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -8.364 -2.908 -1.383 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -8.364 -5.610 -2.771 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -7.082 -5.021 -1.732 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -9.660 -7.034 -1.805 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -10.140 -7.000 -0.105 1.00 0.00 H new ATOM 495 N LYS A 108 -11.600 -2.889 -0.954 1.00 0.00 N ATOM 496 CA LYS A 108 -12.354 -2.041 -0.037 1.00 0.00 C ATOM 497 C LYS A 108 -11.728 -2.053 1.354 1.00 0.00 C ATOM 498 O LYS A 108 -12.278 -2.640 2.287 1.00 0.00 O ATOM 499 CB LYS A 108 -13.809 -2.506 0.042 1.00 0.00 C ATOM 500 CG LYS A 108 -14.377 -2.953 -1.295 1.00 0.00 C ATOM 501 CD LYS A 108 -15.893 -3.071 -1.244 1.00 0.00 C ATOM 502 CE LYS A 108 -16.406 -4.084 -2.254 1.00 0.00 C ATOM 503 NZ LYS A 108 -17.300 -5.095 -1.624 1.00 0.00 N ATOM 0 H LYS A 108 -11.817 -3.883 -0.884 1.00 0.00 H new ATOM 0 HA LYS A 108 -12.326 -1.021 -0.420 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -13.881 -3.330 0.752 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -14.421 -1.694 0.434 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -14.092 -2.241 -2.069 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -13.945 -3.915 -1.572 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -16.203 -3.366 -0.241 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -16.342 -2.098 -1.443 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -16.946 -3.565 -3.046 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -15.561 -4.589 -2.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -17.628 -5.767 -2.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -16.778 -5.608 -0.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -18.120 -4.617 -1.199 1.00 0.00 H new ATOM 517 N VAL A 109 -10.577 -1.401 1.487 1.00 0.00 N ATOM 518 CA VAL A 109 -9.878 -1.338 2.764 1.00 0.00 C ATOM 519 C VAL A 109 -10.827 -0.934 3.888 1.00 0.00 C ATOM 520 O VAL A 109 -11.943 -0.477 3.636 1.00 0.00 O ATOM 521 CB VAL A 109 -8.703 -0.345 2.713 1.00 0.00 C ATOM 522 CG1 VAL A 109 -7.827 -0.615 1.500 1.00 0.00 C ATOM 523 CG2 VAL A 109 -9.214 1.088 2.702 1.00 0.00 C ATOM 0 H VAL A 109 -10.109 -0.909 0.726 1.00 0.00 H new ATOM 0 HA VAL A 109 -9.488 -2.336 2.963 1.00 0.00 H new ATOM 0 HB VAL A 109 -8.096 -0.483 3.608 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -7.002 0.097 1.481 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -7.430 -1.629 1.556 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -8.420 -0.507 0.592 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -8.369 1.775 2.666 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -9.845 1.243 1.827 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -9.795 1.274 3.605 1.00 0.00 H new ATOM 533 N ASN A 110 -10.376 -1.100 5.128 1.00 0.00 N ATOM 534 CA ASN A 110 -11.184 -0.751 6.285 1.00 0.00 C ATOM 535 C ASN A 110 -10.311 -0.561 7.517 1.00 0.00 C ATOM 536 O ASN A 110 -9.478 -1.408 7.843 1.00 0.00 O ATOM 537 CB ASN A 110 -12.230 -1.830 6.553 1.00 0.00 C ATOM 538 CG ASN A 110 -12.936 -2.280 5.288 1.00 0.00 C ATOM 539 OD1 ASN A 110 -13.909 -1.663 4.854 1.00 0.00 O ATOM 540 ND2 ASN A 110 -12.447 -3.359 4.690 1.00 0.00 N ATOM 0 H ASN A 110 -9.455 -1.474 5.354 1.00 0.00 H new ATOM 0 HA ASN A 110 -11.692 0.189 6.069 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -11.750 -2.689 7.023 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -12.967 -1.450 7.261 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -12.880 -3.708 3.835 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -11.638 -3.839 5.085 1.00 0.00 H new ATOM 547 N VAL A 111 -10.511 0.559 8.194 1.00 0.00 N ATOM 548 CA VAL A 111 -9.749 0.879 9.396 1.00 0.00 C ATOM 549 C VAL A 111 -9.439 -0.379 10.199 1.00 0.00 C ATOM 550 O VAL A 111 -10.344 -1.041 10.709 1.00 0.00 O ATOM 551 CB VAL A 111 -10.509 1.873 10.294 1.00 0.00 C ATOM 552 CG1 VAL A 111 -11.011 3.055 9.479 1.00 0.00 C ATOM 553 CG2 VAL A 111 -11.660 1.179 11.007 1.00 0.00 C ATOM 0 H VAL A 111 -11.198 1.266 7.932 1.00 0.00 H new ATOM 0 HA VAL A 111 -8.816 1.337 9.068 1.00 0.00 H new ATOM 0 HB VAL A 111 -9.820 2.250 11.050 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -11.545 3.746 10.131 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -10.164 3.568 9.023 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -11.684 2.699 8.698 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -12.184 1.898 11.636 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -12.351 0.770 10.270 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -11.270 0.371 11.626 1.00 0.00 H new ATOM 563 N GLY A 112 -8.156 -0.706 10.307 1.00 0.00 N ATOM 564 CA GLY A 112 -7.751 -1.885 11.049 1.00 0.00 C ATOM 565 C GLY A 112 -7.454 -3.063 10.142 1.00 0.00 C ATOM 566 O GLY A 112 -7.324 -4.195 10.606 1.00 0.00 O ATOM 0 H GLY A 112 -7.389 -0.175 9.894 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -6.865 -1.653 11.640 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -8.540 -2.159 11.750 1.00 0.00 H new ATOM 570 N ASP A 113 -7.346 -2.795 8.846 1.00 0.00 N ATOM 571 CA ASP A 113 -7.061 -3.838 7.869 1.00 0.00 C ATOM 572 C ASP A 113 -5.812 -3.498 7.062 1.00 0.00 C ATOM 573 O ASP A 113 -5.852 -2.661 6.161 1.00 0.00 O ATOM 574 CB ASP A 113 -8.256 -4.028 6.932 1.00 0.00 C ATOM 575 CG ASP A 113 -8.359 -5.446 6.405 1.00 0.00 C ATOM 576 OD1 ASP A 113 -8.767 -6.338 7.179 1.00 0.00 O ATOM 577 OD2 ASP A 113 -8.032 -5.664 5.219 1.00 0.00 O ATOM 0 H ASP A 113 -7.452 -1.862 8.447 1.00 0.00 H new ATOM 0 HA ASP A 113 -6.881 -4.769 8.407 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -9.174 -3.773 7.462 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -8.170 -3.337 6.093 1.00 0.00 H new ATOM 582 N THR A 114 -4.706 -4.152 7.397 1.00 0.00 N ATOM 583 CA THR A 114 -3.440 -3.923 6.709 1.00 0.00 C ATOM 584 C THR A 114 -3.665 -3.637 5.227 1.00 0.00 C ATOM 585 O THR A 114 -4.414 -4.346 4.555 1.00 0.00 O ATOM 586 CB THR A 114 -2.520 -5.133 6.872 1.00 0.00 C ATOM 587 OG1 THR A 114 -2.600 -5.649 8.189 1.00 0.00 O ATOM 588 CG2 THR A 114 -1.067 -4.823 6.588 1.00 0.00 C ATOM 0 H THR A 114 -4.660 -4.847 8.142 1.00 0.00 H new ATOM 0 HA THR A 114 -2.966 -3.051 7.159 1.00 0.00 H new ATOM 0 HB THR A 114 -2.868 -5.862 6.140 1.00 0.00 H new ATOM 0 HG1 THR A 114 -2.006 -6.424 8.273 1.00 0.00 H new ATOM 0 HG21 THR A 114 -0.470 -5.725 6.722 1.00 0.00 H new ATOM 0 HG22 THR A 114 -0.964 -4.469 5.562 1.00 0.00 H new ATOM 0 HG23 THR A 114 -0.719 -4.052 7.275 1.00 0.00 H new ATOM 596 N LEU A 115 -3.010 -2.595 4.725 1.00 0.00 N ATOM 597 CA LEU A 115 -3.136 -2.216 3.323 1.00 0.00 C ATOM 598 C LEU A 115 -2.029 -2.852 2.487 1.00 0.00 C ATOM 599 O LEU A 115 -2.234 -3.882 1.847 1.00 0.00 O ATOM 600 CB LEU A 115 -3.090 -0.693 3.179 1.00 0.00 C ATOM 601 CG LEU A 115 -4.243 0.057 3.847 1.00 0.00 C ATOM 602 CD1 LEU A 115 -4.149 1.546 3.555 1.00 0.00 C ATOM 603 CD2 LEU A 115 -5.580 -0.497 3.379 1.00 0.00 C ATOM 0 H LEU A 115 -2.387 -1.998 5.269 1.00 0.00 H new ATOM 0 HA LEU A 115 -4.097 -2.579 2.958 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -2.151 -0.332 3.599 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -3.082 -0.444 2.118 1.00 0.00 H new ATOM 0 HG LEU A 115 -4.170 -0.087 4.925 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -4.977 2.064 4.038 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -3.205 1.933 3.939 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -4.197 1.709 2.478 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -6.390 0.048 3.864 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -5.663 -0.383 2.298 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -5.647 -1.553 3.639 1.00 0.00 H new ATOM 615 N CYS A 116 -0.854 -2.230 2.502 1.00 0.00 N ATOM 616 CA CYS A 116 0.288 -2.733 1.749 1.00 0.00 C ATOM 617 C CYS A 116 1.543 -2.744 2.616 1.00 0.00 C ATOM 618 O CYS A 116 1.481 -2.484 3.817 1.00 0.00 O ATOM 619 CB CYS A 116 0.520 -1.879 0.501 1.00 0.00 C ATOM 620 SG CYS A 116 -0.115 -0.192 0.634 1.00 0.00 S ATOM 0 H CYS A 116 -0.669 -1.376 3.028 1.00 0.00 H new ATOM 0 HA CYS A 116 0.070 -3.756 1.442 1.00 0.00 H new ATOM 0 HB2 CYS A 116 1.590 -1.838 0.295 1.00 0.00 H new ATOM 0 HB3 CYS A 116 0.050 -2.367 -0.353 1.00 0.00 H new ATOM 0 HG CYS A 116 0.311 0.513 -0.372 1.00 0.00 H new ATOM 626 N ILE A 117 2.681 -3.044 1.999 1.00 0.00 N ATOM 627 CA ILE A 117 3.949 -3.087 2.718 1.00 0.00 C ATOM 628 C ILE A 117 4.860 -1.940 2.295 1.00 0.00 C ATOM 629 O ILE A 117 5.169 -1.782 1.113 1.00 0.00 O ATOM 630 CB ILE A 117 4.686 -4.421 2.484 1.00 0.00 C ATOM 631 CG1 ILE A 117 3.702 -5.504 2.037 1.00 0.00 C ATOM 632 CG2 ILE A 117 5.421 -4.852 3.745 1.00 0.00 C ATOM 633 CD1 ILE A 117 4.264 -6.906 2.126 1.00 0.00 C ATOM 0 H ILE A 117 2.751 -3.261 1.005 1.00 0.00 H new ATOM 0 HA ILE A 117 3.712 -2.991 3.778 1.00 0.00 H new ATOM 0 HB ILE A 117 5.421 -4.276 1.692 1.00 0.00 H new ATOM 0 HG12 ILE A 117 2.803 -5.442 2.650 1.00 0.00 H new ATOM 0 HG13 ILE A 117 3.400 -5.307 1.008 1.00 0.00 H new ATOM 0 HG21 ILE A 117 5.936 -5.795 3.562 1.00 0.00 H new ATOM 0 HG22 ILE A 117 6.149 -4.089 4.021 1.00 0.00 H new ATOM 0 HG23 ILE A 117 4.706 -4.981 4.557 1.00 0.00 H new ATOM 0 HD11 ILE A 117 3.512 -7.621 1.794 1.00 0.00 H new ATOM 0 HD12 ILE A 117 5.146 -6.985 1.491 1.00 0.00 H new ATOM 0 HD13 ILE A 117 4.540 -7.123 3.158 1.00 0.00 H new ATOM 645 N VAL A 118 5.287 -1.144 3.270 1.00 0.00 N ATOM 646 CA VAL A 118 6.167 -0.013 3.004 1.00 0.00 C ATOM 647 C VAL A 118 7.600 -0.337 3.411 1.00 0.00 C ATOM 648 O VAL A 118 8.206 0.378 4.208 1.00 0.00 O ATOM 649 CB VAL A 118 5.703 1.249 3.756 1.00 0.00 C ATOM 650 CG1 VAL A 118 6.525 2.457 3.331 1.00 0.00 C ATOM 651 CG2 VAL A 118 4.220 1.495 3.522 1.00 0.00 C ATOM 0 H VAL A 118 5.037 -1.262 4.252 1.00 0.00 H new ATOM 0 HA VAL A 118 6.127 0.181 1.932 1.00 0.00 H new ATOM 0 HB VAL A 118 5.858 1.091 4.823 1.00 0.00 H new ATOM 0 HG11 VAL A 118 6.183 3.339 3.873 1.00 0.00 H new ATOM 0 HG12 VAL A 118 7.577 2.279 3.555 1.00 0.00 H new ATOM 0 HG13 VAL A 118 6.405 2.620 2.260 1.00 0.00 H new ATOM 0 HG21 VAL A 118 3.910 2.390 4.061 1.00 0.00 H new ATOM 0 HG22 VAL A 118 4.038 1.632 2.456 1.00 0.00 H new ATOM 0 HG23 VAL A 118 3.648 0.639 3.881 1.00 0.00 H new ATOM 661 N GLU A 119 8.129 -1.425 2.857 1.00 0.00 N ATOM 662 CA GLU A 119 9.489 -1.866 3.155 1.00 0.00 C ATOM 663 C GLU A 119 10.409 -0.690 3.461 1.00 0.00 C ATOM 664 O GLU A 119 11.063 -0.151 2.568 1.00 0.00 O ATOM 665 CB GLU A 119 10.052 -2.674 1.985 1.00 0.00 C ATOM 666 CG GLU A 119 10.478 -4.082 2.369 1.00 0.00 C ATOM 667 CD GLU A 119 11.570 -4.627 1.471 1.00 0.00 C ATOM 668 OE1 GLU A 119 12.351 -3.818 0.929 1.00 0.00 O ATOM 669 OE2 GLU A 119 11.645 -5.863 1.310 1.00 0.00 O ATOM 0 H GLU A 119 7.632 -2.021 2.195 1.00 0.00 H new ATOM 0 HA GLU A 119 9.442 -2.496 4.043 1.00 0.00 H new ATOM 0 HB2 GLU A 119 9.299 -2.732 1.199 1.00 0.00 H new ATOM 0 HB3 GLU A 119 10.909 -2.145 1.567 1.00 0.00 H new ATOM 0 HG2 GLU A 119 10.828 -4.083 3.401 1.00 0.00 H new ATOM 0 HG3 GLU A 119 9.613 -4.744 2.325 1.00 0.00 H new ATOM 676 N ALA A 120 10.465 -0.309 4.732 1.00 0.00 N ATOM 677 CA ALA A 120 11.316 0.790 5.164 1.00 0.00 C ATOM 678 C ALA A 120 12.702 0.271 5.520 1.00 0.00 C ATOM 679 O ALA A 120 12.835 -0.746 6.200 1.00 0.00 O ATOM 680 CB ALA A 120 10.694 1.510 6.351 1.00 0.00 C ATOM 0 H ALA A 120 9.929 -0.747 5.482 1.00 0.00 H new ATOM 0 HA ALA A 120 11.411 1.502 4.344 1.00 0.00 H new ATOM 0 HB1 ALA A 120 11.343 2.329 6.661 1.00 0.00 H new ATOM 0 HB2 ALA A 120 9.720 1.907 6.066 1.00 0.00 H new ATOM 0 HB3 ALA A 120 10.572 0.810 7.178 1.00 0.00 H new ATOM 686 N MET A 121 13.732 0.958 5.047 1.00 0.00 N ATOM 687 CA MET A 121 15.103 0.543 5.314 1.00 0.00 C ATOM 688 C MET A 121 15.282 -0.935 4.979 1.00 0.00 C ATOM 689 O MET A 121 16.188 -1.590 5.494 1.00 0.00 O ATOM 690 CB MET A 121 15.467 0.801 6.779 1.00 0.00 C ATOM 691 CG MET A 121 14.795 -0.152 7.754 1.00 0.00 C ATOM 692 SD MET A 121 15.594 -0.167 9.371 1.00 0.00 S ATOM 693 CE MET A 121 15.978 -1.908 9.544 1.00 0.00 C ATOM 0 H MET A 121 13.646 1.801 4.479 1.00 0.00 H new ATOM 0 HA MET A 121 15.770 1.130 4.683 1.00 0.00 H new ATOM 0 HB2 MET A 121 16.548 0.722 6.895 1.00 0.00 H new ATOM 0 HB3 MET A 121 15.193 1.824 7.037 1.00 0.00 H new ATOM 0 HG2 MET A 121 13.749 0.132 7.872 1.00 0.00 H new ATOM 0 HG3 MET A 121 14.806 -1.159 7.338 1.00 0.00 H new ATOM 0 HE1 MET A 121 16.477 -2.077 10.498 1.00 0.00 H new ATOM 0 HE2 MET A 121 15.057 -2.489 9.508 1.00 0.00 H new ATOM 0 HE3 MET A 121 16.634 -2.218 8.731 1.00 0.00 H new ATOM 703 N LYS A 122 14.407 -1.443 4.108 1.00 0.00 N ATOM 704 CA LYS A 122 14.441 -2.842 3.673 1.00 0.00 C ATOM 705 C LYS A 122 13.475 -3.705 4.483 1.00 0.00 C ATOM 706 O LYS A 122 13.232 -4.862 4.139 1.00 0.00 O ATOM 707 CB LYS A 122 15.863 -3.411 3.770 1.00 0.00 C ATOM 708 CG LYS A 122 16.159 -4.122 5.084 1.00 0.00 C ATOM 709 CD LYS A 122 15.656 -5.557 5.071 1.00 0.00 C ATOM 710 CE LYS A 122 14.738 -5.836 6.251 1.00 0.00 C ATOM 711 NZ LYS A 122 15.438 -6.505 7.343 1.00 0.00 N ATOM 0 H LYS A 122 13.656 -0.898 3.685 1.00 0.00 H new ATOM 0 HA LYS A 122 14.124 -2.864 2.630 1.00 0.00 H new ATOM 0 HB2 LYS A 122 16.021 -4.109 2.948 1.00 0.00 H new ATOM 0 HB3 LYS A 122 16.578 -2.598 3.640 1.00 0.00 H new ATOM 0 HG2 LYS A 122 17.233 -4.114 5.268 1.00 0.00 H new ATOM 0 HG3 LYS A 122 15.691 -3.579 5.905 1.00 0.00 H new ATOM 0 HD2 LYS A 122 15.122 -5.748 4.140 1.00 0.00 H new ATOM 0 HD3 LYS A 122 16.504 -6.241 5.099 1.00 0.00 H new ATOM 0 HE2 LYS A 122 14.316 -4.898 6.612 1.00 0.00 H new ATOM 0 HE3 LYS A 122 13.903 -6.455 5.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 14.776 -6.676 8.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 15.819 -7.413 7.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 16.219 -5.904 7.675 1.00 0.00 H new ATOM 722 N MET A 123 12.926 -3.148 5.557 1.00 0.00 N ATOM 723 CA MET A 123 11.995 -3.894 6.397 1.00 0.00 C ATOM 724 C MET A 123 10.552 -3.544 6.070 1.00 0.00 C ATOM 725 O MET A 123 10.186 -2.373 5.979 1.00 0.00 O ATOM 726 CB MET A 123 12.273 -3.633 7.877 1.00 0.00 C ATOM 727 CG MET A 123 11.556 -2.412 8.432 1.00 0.00 C ATOM 728 SD MET A 123 11.927 -2.119 10.172 1.00 0.00 S ATOM 729 CE MET A 123 10.694 -3.150 10.960 1.00 0.00 C ATOM 0 H MET A 123 13.107 -2.192 5.865 1.00 0.00 H new ATOM 0 HA MET A 123 12.145 -4.954 6.191 1.00 0.00 H new ATOM 0 HB2 MET A 123 11.976 -4.510 8.453 1.00 0.00 H new ATOM 0 HB3 MET A 123 13.346 -3.508 8.018 1.00 0.00 H new ATOM 0 HG2 MET A 123 11.839 -1.534 7.851 1.00 0.00 H new ATOM 0 HG3 MET A 123 10.480 -2.541 8.311 1.00 0.00 H new ATOM 0 HE1 MET A 123 10.795 -3.075 12.043 1.00 0.00 H new ATOM 0 HE2 MET A 123 9.699 -2.817 10.665 1.00 0.00 H new ATOM 0 HE3 MET A 123 10.836 -4.186 10.653 1.00 0.00 H new ATOM 739 N MET A 124 9.736 -4.575 5.899 1.00 0.00 N ATOM 740 CA MET A 124 8.324 -4.394 5.584 1.00 0.00 C ATOM 741 C MET A 124 7.644 -3.508 6.622 1.00 0.00 C ATOM 742 O MET A 124 7.779 -3.729 7.825 1.00 0.00 O ATOM 743 CB MET A 124 7.619 -5.751 5.513 1.00 0.00 C ATOM 744 CG MET A 124 8.117 -6.750 6.545 1.00 0.00 C ATOM 745 SD MET A 124 6.985 -8.135 6.776 1.00 0.00 S ATOM 746 CE MET A 124 8.097 -9.375 7.436 1.00 0.00 C ATOM 0 H MET A 124 10.028 -5.549 5.973 1.00 0.00 H new ATOM 0 HA MET A 124 8.253 -3.904 4.613 1.00 0.00 H new ATOM 0 HB2 MET A 124 6.548 -5.602 5.651 1.00 0.00 H new ATOM 0 HB3 MET A 124 7.757 -6.171 4.517 1.00 0.00 H new ATOM 0 HG2 MET A 124 9.091 -7.130 6.237 1.00 0.00 H new ATOM 0 HG3 MET A 124 8.261 -6.241 7.498 1.00 0.00 H new ATOM 0 HE1 MET A 124 7.543 -10.293 7.631 1.00 0.00 H new ATOM 0 HE2 MET A 124 8.889 -9.575 6.714 1.00 0.00 H new ATOM 0 HE3 MET A 124 8.537 -9.012 8.365 1.00 0.00 H new ATOM 756 N ASN A 125 6.915 -2.502 6.148 1.00 0.00 N ATOM 757 CA ASN A 125 6.214 -1.581 7.036 1.00 0.00 C ATOM 758 C ASN A 125 4.717 -1.577 6.746 1.00 0.00 C ATOM 759 O ASN A 125 4.162 -0.570 6.309 1.00 0.00 O ATOM 760 CB ASN A 125 6.779 -0.167 6.886 1.00 0.00 C ATOM 761 CG ASN A 125 7.391 0.351 8.172 1.00 0.00 C ATOM 762 OD1 ASN A 125 8.470 -0.078 8.578 1.00 0.00 O ATOM 763 ND2 ASN A 125 6.700 1.280 8.823 1.00 0.00 N ATOM 0 H ASN A 125 6.794 -2.304 5.155 1.00 0.00 H new ATOM 0 HA ASN A 125 6.365 -1.919 8.061 1.00 0.00 H new ATOM 0 HB2 ASN A 125 7.534 -0.162 6.100 1.00 0.00 H new ATOM 0 HB3 ASN A 125 5.984 0.507 6.568 1.00 0.00 H new ATOM 0 HD21 ASN A 125 7.061 1.666 9.696 1.00 0.00 H new ATOM 0 HD22 ASN A 125 5.809 1.608 8.450 1.00 0.00 H new ATOM 770 N GLN A 126 4.070 -2.711 6.992 1.00 0.00 N ATOM 771 CA GLN A 126 2.637 -2.839 6.758 1.00 0.00 C ATOM 772 C GLN A 126 1.902 -1.563 7.164 1.00 0.00 C ATOM 773 O GLN A 126 2.273 -0.905 8.136 1.00 0.00 O ATOM 774 CB GLN A 126 2.077 -4.033 7.534 1.00 0.00 C ATOM 775 CG GLN A 126 1.704 -3.706 8.971 1.00 0.00 C ATOM 776 CD GLN A 126 2.916 -3.457 9.847 1.00 0.00 C ATOM 777 OE1 GLN A 126 3.848 -4.260 9.880 1.00 0.00 O ATOM 778 NE2 GLN A 126 2.909 -2.337 10.563 1.00 0.00 N ATOM 0 H GLN A 126 4.515 -3.554 7.353 1.00 0.00 H new ATOM 0 HA GLN A 126 2.482 -3.002 5.692 1.00 0.00 H new ATOM 0 HB2 GLN A 126 1.196 -4.411 7.016 1.00 0.00 H new ATOM 0 HB3 GLN A 126 2.815 -4.835 7.533 1.00 0.00 H new ATOM 0 HG2 GLN A 126 1.064 -2.824 8.984 1.00 0.00 H new ATOM 0 HG3 GLN A 126 1.122 -4.528 9.387 1.00 0.00 H new ATOM 0 HE21 GLN A 126 2.115 -1.699 10.505 1.00 0.00 H new ATOM 0 HE22 GLN A 126 3.698 -2.115 11.170 1.00 0.00 H new ATOM 787 N ILE A 127 0.861 -1.222 6.413 1.00 0.00 N ATOM 788 CA ILE A 127 0.075 -0.026 6.694 1.00 0.00 C ATOM 789 C ILE A 127 -1.338 -0.390 7.138 1.00 0.00 C ATOM 790 O ILE A 127 -2.066 -1.078 6.421 1.00 0.00 O ATOM 791 CB ILE A 127 -0.009 0.896 5.462 1.00 0.00 C ATOM 792 CG1 ILE A 127 1.391 1.324 5.019 1.00 0.00 C ATOM 793 CG2 ILE A 127 -0.868 2.113 5.771 1.00 0.00 C ATOM 794 CD1 ILE A 127 2.236 1.887 6.140 1.00 0.00 C ATOM 0 H ILE A 127 0.542 -1.757 5.605 1.00 0.00 H new ATOM 0 HA ILE A 127 0.583 0.503 7.500 1.00 0.00 H new ATOM 0 HB ILE A 127 -0.473 0.344 4.645 1.00 0.00 H new ATOM 0 HG12 ILE A 127 1.904 0.466 4.585 1.00 0.00 H new ATOM 0 HG13 ILE A 127 1.301 2.073 4.232 1.00 0.00 H new ATOM 0 HG21 ILE A 127 -0.918 2.755 4.892 1.00 0.00 H new ATOM 0 HG22 ILE A 127 -1.873 1.790 6.042 1.00 0.00 H new ATOM 0 HG23 ILE A 127 -0.429 2.667 6.601 1.00 0.00 H new ATOM 0 HD11 ILE A 127 3.215 2.169 5.752 1.00 0.00 H new ATOM 0 HD12 ILE A 127 1.745 2.765 6.560 1.00 0.00 H new ATOM 0 HD13 ILE A 127 2.358 1.133 6.918 1.00 0.00 H new ATOM 806 N GLU A 128 -1.721 0.077 8.321 1.00 0.00 N ATOM 807 CA GLU A 128 -3.049 -0.199 8.859 1.00 0.00 C ATOM 808 C GLU A 128 -4.067 0.811 8.337 1.00 0.00 C ATOM 809 O GLU A 128 -3.947 2.011 8.585 1.00 0.00 O ATOM 810 CB GLU A 128 -3.020 -0.167 10.388 1.00 0.00 C ATOM 811 CG GLU A 128 -2.231 -1.310 11.006 1.00 0.00 C ATOM 812 CD GLU A 128 -1.264 -0.842 12.074 1.00 0.00 C ATOM 813 OE1 GLU A 128 -1.498 0.239 12.655 1.00 0.00 O ATOM 814 OE2 GLU A 128 -0.271 -1.555 12.332 1.00 0.00 O ATOM 0 H GLU A 128 -1.131 0.648 8.926 1.00 0.00 H new ATOM 0 HA GLU A 128 -3.348 -1.194 8.529 1.00 0.00 H new ATOM 0 HB2 GLU A 128 -2.589 0.779 10.715 1.00 0.00 H new ATOM 0 HB3 GLU A 128 -4.043 -0.198 10.763 1.00 0.00 H new ATOM 0 HG2 GLU A 128 -2.924 -2.032 11.440 1.00 0.00 H new ATOM 0 HG3 GLU A 128 -1.678 -1.829 10.223 1.00 0.00 H new ATOM 821 N ALA A 129 -5.068 0.317 7.616 1.00 0.00 N ATOM 822 CA ALA A 129 -6.107 1.178 7.061 1.00 0.00 C ATOM 823 C ALA A 129 -6.434 2.323 8.013 1.00 0.00 C ATOM 824 O ALA A 129 -6.713 2.103 9.192 1.00 0.00 O ATOM 825 CB ALA A 129 -7.357 0.367 6.758 1.00 0.00 C ATOM 0 H ALA A 129 -5.182 -0.674 7.402 1.00 0.00 H new ATOM 0 HA ALA A 129 -5.733 1.608 6.132 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -8.124 1.022 6.345 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -7.118 -0.413 6.036 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -7.726 -0.089 7.676 1.00 0.00 H new ATOM 831 N ASP A 130 -6.397 3.545 7.494 1.00 0.00 N ATOM 832 CA ASP A 130 -6.689 4.726 8.299 1.00 0.00 C ATOM 833 C ASP A 130 -8.112 5.217 8.052 1.00 0.00 C ATOM 834 O ASP A 130 -8.616 6.076 8.775 1.00 0.00 O ATOM 835 CB ASP A 130 -5.690 5.842 7.985 1.00 0.00 C ATOM 836 CG ASP A 130 -6.079 7.162 8.619 1.00 0.00 C ATOM 837 OD1 ASP A 130 -6.253 7.198 9.856 1.00 0.00 O ATOM 838 OD2 ASP A 130 -6.210 8.160 7.880 1.00 0.00 O ATOM 0 H ASP A 130 -6.168 3.744 6.520 1.00 0.00 H new ATOM 0 HA ASP A 130 -6.598 4.450 9.349 1.00 0.00 H new ATOM 0 HB2 ASP A 130 -4.701 5.550 8.338 1.00 0.00 H new ATOM 0 HB3 ASP A 130 -5.618 5.968 6.905 1.00 0.00 H new ATOM 843 N LYS A 131 -8.755 4.667 7.027 1.00 0.00 N ATOM 844 CA LYS A 131 -10.120 5.050 6.687 1.00 0.00 C ATOM 845 C LYS A 131 -10.716 4.094 5.663 1.00 0.00 C ATOM 846 O LYS A 131 -10.163 3.908 4.577 1.00 0.00 O ATOM 847 CB LYS A 131 -10.151 6.478 6.140 1.00 0.00 C ATOM 848 CG LYS A 131 -11.421 6.806 5.369 1.00 0.00 C ATOM 849 CD LYS A 131 -11.296 6.438 3.899 1.00 0.00 C ATOM 850 CE LYS A 131 -12.328 7.166 3.054 1.00 0.00 C ATOM 851 NZ LYS A 131 -11.832 7.433 1.676 1.00 0.00 N ATOM 0 H LYS A 131 -8.353 3.955 6.418 1.00 0.00 H new ATOM 0 HA LYS A 131 -10.719 5.001 7.597 1.00 0.00 H new ATOM 0 HB2 LYS A 131 -10.048 7.178 6.969 1.00 0.00 H new ATOM 0 HB3 LYS A 131 -9.291 6.627 5.488 1.00 0.00 H new ATOM 0 HG2 LYS A 131 -12.262 6.270 5.808 1.00 0.00 H new ATOM 0 HG3 LYS A 131 -11.638 7.870 5.461 1.00 0.00 H new ATOM 0 HD2 LYS A 131 -10.295 6.684 3.545 1.00 0.00 H new ATOM 0 HD3 LYS A 131 -11.420 5.362 3.780 1.00 0.00 H new ATOM 0 HE2 LYS A 131 -13.240 6.571 3.002 1.00 0.00 H new ATOM 0 HE3 LYS A 131 -12.590 8.109 3.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 -12.566 7.931 1.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 -10.977 8.023 1.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 -11.606 6.532 1.208 1.00 0.00 H new ATOM 865 N SER A 132 -11.848 3.490 6.009 1.00 0.00 N ATOM 866 CA SER A 132 -12.518 2.557 5.111 1.00 0.00 C ATOM 867 C SER A 132 -12.704 3.185 3.735 1.00 0.00 C ATOM 868 O SER A 132 -13.465 4.139 3.574 1.00 0.00 O ATOM 869 CB SER A 132 -13.873 2.142 5.685 1.00 0.00 C ATOM 870 OG SER A 132 -14.927 2.882 5.095 1.00 0.00 O ATOM 0 H SER A 132 -12.320 3.629 6.903 1.00 0.00 H new ATOM 0 HA SER A 132 -11.894 1.669 5.010 1.00 0.00 H new ATOM 0 HB2 SER A 132 -14.033 1.077 5.514 1.00 0.00 H new ATOM 0 HB3 SER A 132 -13.876 2.296 6.764 1.00 0.00 H new ATOM 0 HG SER A 132 -14.592 3.758 4.811 1.00 0.00 H new ATOM 876 N GLY A 133 -12.000 2.648 2.745 1.00 0.00 N ATOM 877 CA GLY A 133 -12.101 3.175 1.398 1.00 0.00 C ATOM 878 C GLY A 133 -11.985 2.099 0.339 1.00 0.00 C ATOM 879 O GLY A 133 -11.833 0.918 0.654 1.00 0.00 O ATOM 0 H GLY A 133 -11.363 1.859 2.851 1.00 0.00 H new ATOM 0 HA2 GLY A 133 -13.055 3.690 1.284 1.00 0.00 H new ATOM 0 HA3 GLY A 133 -11.318 3.917 1.243 1.00 0.00 H new ATOM 883 N THR A 134 -12.065 2.508 -0.923 1.00 0.00 N ATOM 884 CA THR A 134 -11.976 1.574 -2.039 1.00 0.00 C ATOM 885 C THR A 134 -10.835 1.941 -2.982 1.00 0.00 C ATOM 886 O THR A 134 -10.889 2.962 -3.665 1.00 0.00 O ATOM 887 CB THR A 134 -13.290 1.568 -2.815 1.00 0.00 C ATOM 888 OG1 THR A 134 -14.387 1.338 -1.947 1.00 0.00 O ATOM 889 CG2 THR A 134 -13.337 0.517 -3.904 1.00 0.00 C ATOM 0 H THR A 134 -12.192 3.482 -1.198 1.00 0.00 H new ATOM 0 HA THR A 134 -11.779 0.583 -1.631 1.00 0.00 H new ATOM 0 HB THR A 134 -13.355 2.552 -3.279 1.00 0.00 H new ATOM 0 HG1 THR A 134 -15.219 1.340 -2.464 1.00 0.00 H new ATOM 0 HG21 THR A 134 -14.298 0.567 -4.417 1.00 0.00 H new ATOM 0 HG22 THR A 134 -12.534 0.698 -4.619 1.00 0.00 H new ATOM 0 HG23 THR A 134 -13.213 -0.471 -3.461 1.00 0.00 H new ATOM 897 N VAL A 135 -9.808 1.098 -3.027 1.00 0.00 N ATOM 898 CA VAL A 135 -8.669 1.340 -3.904 1.00 0.00 C ATOM 899 C VAL A 135 -9.142 1.724 -5.300 1.00 0.00 C ATOM 900 O VAL A 135 -10.156 1.217 -5.781 1.00 0.00 O ATOM 901 CB VAL A 135 -7.760 0.100 -4.002 1.00 0.00 C ATOM 902 CG1 VAL A 135 -6.612 0.354 -4.966 1.00 0.00 C ATOM 903 CG2 VAL A 135 -7.236 -0.287 -2.628 1.00 0.00 C ATOM 0 H VAL A 135 -9.741 0.246 -2.470 1.00 0.00 H new ATOM 0 HA VAL A 135 -8.096 2.160 -3.472 1.00 0.00 H new ATOM 0 HB VAL A 135 -8.350 -0.731 -4.388 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -5.981 -0.533 -5.022 1.00 0.00 H new ATOM 0 HG12 VAL A 135 -7.011 0.579 -5.955 1.00 0.00 H new ATOM 0 HG13 VAL A 135 -6.020 1.199 -4.613 1.00 0.00 H new ATOM 0 HG21 VAL A 135 -6.596 -1.165 -2.717 1.00 0.00 H new ATOM 0 HG22 VAL A 135 -6.662 0.540 -2.211 1.00 0.00 H new ATOM 0 HG23 VAL A 135 -8.074 -0.514 -1.970 1.00 0.00 H new ATOM 913 N LYS A 136 -8.409 2.621 -5.948 1.00 0.00 N ATOM 914 CA LYS A 136 -8.761 3.069 -7.282 1.00 0.00 C ATOM 915 C LYS A 136 -7.694 2.629 -8.267 1.00 0.00 C ATOM 916 O LYS A 136 -7.979 2.293 -9.416 1.00 0.00 O ATOM 917 CB LYS A 136 -8.920 4.594 -7.282 1.00 0.00 C ATOM 918 CG LYS A 136 -7.826 5.353 -8.023 1.00 0.00 C ATOM 919 CD LYS A 136 -7.594 6.722 -7.409 1.00 0.00 C ATOM 920 CE LYS A 136 -8.582 7.747 -7.941 1.00 0.00 C ATOM 921 NZ LYS A 136 -7.972 9.103 -8.045 1.00 0.00 N ATOM 0 H LYS A 136 -7.566 3.051 -5.567 1.00 0.00 H new ATOM 0 HA LYS A 136 -9.708 2.624 -7.586 1.00 0.00 H new ATOM 0 HB2 LYS A 136 -9.882 4.844 -7.729 1.00 0.00 H new ATOM 0 HB3 LYS A 136 -8.948 4.942 -6.249 1.00 0.00 H new ATOM 0 HG2 LYS A 136 -6.900 4.779 -7.997 1.00 0.00 H new ATOM 0 HG3 LYS A 136 -8.103 5.464 -9.071 1.00 0.00 H new ATOM 0 HD2 LYS A 136 -7.686 6.656 -6.325 1.00 0.00 H new ATOM 0 HD3 LYS A 136 -6.577 7.050 -7.623 1.00 0.00 H new ATOM 0 HE2 LYS A 136 -8.939 7.433 -8.922 1.00 0.00 H new ATOM 0 HE3 LYS A 136 -9.451 7.789 -7.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 -8.677 9.774 -8.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 -7.654 9.414 -7.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 -7.158 9.069 -8.691 1.00 0.00 H new ATOM 935 N ALA A 137 -6.457 2.645 -7.796 1.00 0.00 N ATOM 936 CA ALA A 137 -5.324 2.258 -8.619 1.00 0.00 C ATOM 937 C ALA A 137 -4.021 2.375 -7.841 1.00 0.00 C ATOM 938 O ALA A 137 -4.001 2.884 -6.721 1.00 0.00 O ATOM 939 CB ALA A 137 -5.279 3.125 -9.862 1.00 0.00 C ATOM 0 H ALA A 137 -6.213 2.923 -6.845 1.00 0.00 H new ATOM 0 HA ALA A 137 -5.445 1.215 -8.913 1.00 0.00 H new ATOM 0 HB1 ALA A 137 -4.429 2.834 -10.478 1.00 0.00 H new ATOM 0 HB2 ALA A 137 -6.200 2.995 -10.430 1.00 0.00 H new ATOM 0 HB3 ALA A 137 -5.176 4.171 -9.573 1.00 0.00 H new ATOM 945 N ILE A 138 -2.934 1.906 -8.441 1.00 0.00 N ATOM 946 CA ILE A 138 -1.631 1.966 -7.797 1.00 0.00 C ATOM 947 C ILE A 138 -0.654 2.801 -8.615 1.00 0.00 C ATOM 948 O ILE A 138 0.144 2.263 -9.383 1.00 0.00 O ATOM 949 CB ILE A 138 -1.038 0.561 -7.580 1.00 0.00 C ATOM 950 CG1 ILE A 138 -2.145 -0.495 -7.593 1.00 0.00 C ATOM 951 CG2 ILE A 138 -0.272 0.514 -6.273 1.00 0.00 C ATOM 952 CD1 ILE A 138 -3.224 -0.253 -6.559 1.00 0.00 C ATOM 0 H ILE A 138 -2.930 1.482 -9.369 1.00 0.00 H new ATOM 0 HA ILE A 138 -1.782 2.436 -6.825 1.00 0.00 H new ATOM 0 HB ILE A 138 -0.348 0.343 -8.395 1.00 0.00 H new ATOM 0 HG12 ILE A 138 -2.601 -0.520 -8.583 1.00 0.00 H new ATOM 0 HG13 ILE A 138 -1.702 -1.476 -7.421 1.00 0.00 H new ATOM 0 HG21 ILE A 138 0.143 -0.484 -6.130 1.00 0.00 H new ATOM 0 HG22 ILE A 138 0.538 1.243 -6.299 1.00 0.00 H new ATOM 0 HG23 ILE A 138 -0.945 0.749 -5.448 1.00 0.00 H new ATOM 0 HD11 ILE A 138 -3.975 -1.040 -6.626 1.00 0.00 H new ATOM 0 HD12 ILE A 138 -2.781 -0.258 -5.563 1.00 0.00 H new ATOM 0 HD13 ILE A 138 -3.694 0.713 -6.743 1.00 0.00 H new ATOM 964 N LEU A 139 -0.718 4.118 -8.442 1.00 0.00 N ATOM 965 CA LEU A 139 0.168 5.021 -9.163 1.00 0.00 C ATOM 966 C LEU A 139 1.574 4.442 -9.215 1.00 0.00 C ATOM 967 O LEU A 139 2.329 4.684 -10.157 1.00 0.00 O ATOM 968 CB LEU A 139 0.192 6.394 -8.488 1.00 0.00 C ATOM 969 CG LEU A 139 -1.182 6.959 -8.122 1.00 0.00 C ATOM 970 CD1 LEU A 139 -1.132 8.476 -8.050 1.00 0.00 C ATOM 971 CD2 LEU A 139 -2.228 6.504 -9.129 1.00 0.00 C ATOM 0 H LEU A 139 -1.372 4.581 -7.811 1.00 0.00 H new ATOM 0 HA LEU A 139 -0.206 5.138 -10.180 1.00 0.00 H new ATOM 0 HB2 LEU A 139 0.793 6.326 -7.581 1.00 0.00 H new ATOM 0 HB3 LEU A 139 0.693 7.099 -9.151 1.00 0.00 H new ATOM 0 HG LEU A 139 -1.462 6.579 -7.140 1.00 0.00 H new ATOM 0 HD11 LEU A 139 -2.118 8.861 -7.789 1.00 0.00 H new ATOM 0 HD12 LEU A 139 -0.411 8.781 -7.292 1.00 0.00 H new ATOM 0 HD13 LEU A 139 -0.831 8.876 -9.018 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -3.200 6.914 -8.855 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -1.953 6.856 -10.123 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -2.281 5.415 -9.131 1.00 0.00 H new ATOM 983 N VAL A 140 1.910 3.666 -8.192 1.00 0.00 N ATOM 984 CA VAL A 140 3.215 3.031 -8.102 1.00 0.00 C ATOM 985 C VAL A 140 3.132 1.576 -8.537 1.00 0.00 C ATOM 986 O VAL A 140 2.060 0.973 -8.514 1.00 0.00 O ATOM 987 CB VAL A 140 3.760 3.081 -6.663 1.00 0.00 C ATOM 988 CG1 VAL A 140 4.987 2.193 -6.525 1.00 0.00 C ATOM 989 CG2 VAL A 140 4.080 4.512 -6.261 1.00 0.00 C ATOM 0 H VAL A 140 1.290 3.461 -7.408 1.00 0.00 H new ATOM 0 HA VAL A 140 3.887 3.579 -8.762 1.00 0.00 H new ATOM 0 HB VAL A 140 2.990 2.704 -5.990 1.00 0.00 H new ATOM 0 HG11 VAL A 140 5.358 2.241 -5.501 1.00 0.00 H new ATOM 0 HG12 VAL A 140 4.720 1.164 -6.766 1.00 0.00 H new ATOM 0 HG13 VAL A 140 5.763 2.536 -7.209 1.00 0.00 H new ATOM 0 HG21 VAL A 140 4.464 4.526 -5.241 1.00 0.00 H new ATOM 0 HG22 VAL A 140 4.831 4.921 -6.937 1.00 0.00 H new ATOM 0 HG23 VAL A 140 3.175 5.117 -6.316 1.00 0.00 H new ATOM 999 N GLU A 141 4.269 1.007 -8.917 1.00 0.00 N ATOM 1000 CA GLU A 141 4.307 -0.386 -9.333 1.00 0.00 C ATOM 1001 C GLU A 141 3.807 -1.271 -8.201 1.00 0.00 C ATOM 1002 O GLU A 141 2.986 -0.845 -7.389 1.00 0.00 O ATOM 1003 CB GLU A 141 5.728 -0.789 -9.731 1.00 0.00 C ATOM 1004 CG GLU A 141 6.446 0.257 -10.569 1.00 0.00 C ATOM 1005 CD GLU A 141 7.281 -0.356 -11.676 1.00 0.00 C ATOM 1006 OE1 GLU A 141 8.335 -0.948 -11.366 1.00 0.00 O ATOM 1007 OE2 GLU A 141 6.880 -0.242 -12.854 1.00 0.00 O ATOM 0 H GLU A 141 5.169 1.485 -8.945 1.00 0.00 H new ATOM 0 HA GLU A 141 3.660 -0.513 -10.201 1.00 0.00 H new ATOM 0 HB2 GLU A 141 6.309 -0.980 -8.829 1.00 0.00 H new ATOM 0 HB3 GLU A 141 5.688 -1.725 -10.289 1.00 0.00 H new ATOM 0 HG2 GLU A 141 5.712 0.934 -11.005 1.00 0.00 H new ATOM 0 HG3 GLU A 141 7.088 0.856 -9.924 1.00 0.00 H new ATOM 1014 N SER A 142 4.304 -2.497 -8.137 1.00 0.00 N ATOM 1015 CA SER A 142 3.893 -3.413 -7.086 1.00 0.00 C ATOM 1016 C SER A 142 4.959 -3.509 -6.005 1.00 0.00 C ATOM 1017 O SER A 142 4.707 -3.189 -4.847 1.00 0.00 O ATOM 1018 CB SER A 142 3.618 -4.798 -7.653 1.00 0.00 C ATOM 1019 OG SER A 142 4.056 -4.900 -8.997 1.00 0.00 O ATOM 0 H SER A 142 4.986 -2.877 -8.794 1.00 0.00 H new ATOM 0 HA SER A 142 2.976 -3.021 -6.646 1.00 0.00 H new ATOM 0 HB2 SER A 142 4.123 -5.549 -7.046 1.00 0.00 H new ATOM 0 HB3 SER A 142 2.550 -5.010 -7.599 1.00 0.00 H new ATOM 0 HG SER A 142 3.868 -5.801 -9.335 1.00 0.00 H new ATOM 1025 N GLY A 143 6.150 -3.955 -6.393 1.00 0.00 N ATOM 1026 CA GLY A 143 7.234 -4.089 -5.441 1.00 0.00 C ATOM 1027 C GLY A 143 8.494 -3.382 -5.885 1.00 0.00 C ATOM 1028 O GLY A 143 9.348 -3.975 -6.542 1.00 0.00 O ATOM 0 H GLY A 143 6.382 -4.225 -7.349 1.00 0.00 H new ATOM 0 HA2 GLY A 143 6.918 -3.688 -4.478 1.00 0.00 H new ATOM 0 HA3 GLY A 143 7.450 -5.147 -5.290 1.00 0.00 H new ATOM 1032 N GLN A 144 8.612 -2.110 -5.521 1.00 0.00 N ATOM 1033 CA GLN A 144 9.783 -1.323 -5.884 1.00 0.00 C ATOM 1034 C GLN A 144 10.024 -0.204 -4.874 1.00 0.00 C ATOM 1035 O GLN A 144 9.103 0.243 -4.192 1.00 0.00 O ATOM 1036 CB GLN A 144 9.621 -0.729 -7.286 1.00 0.00 C ATOM 1037 CG GLN A 144 8.955 -1.669 -8.278 1.00 0.00 C ATOM 1038 CD GLN A 144 9.882 -2.771 -8.748 1.00 0.00 C ATOM 1039 OE1 GLN A 144 11.095 -2.706 -8.548 1.00 0.00 O ATOM 1040 NE2 GLN A 144 9.314 -3.793 -9.378 1.00 0.00 N ATOM 0 H GLN A 144 7.913 -1.604 -4.977 1.00 0.00 H new ATOM 0 HA GLN A 144 10.646 -1.989 -5.878 1.00 0.00 H new ATOM 0 HB2 GLN A 144 9.034 0.187 -7.217 1.00 0.00 H new ATOM 0 HB3 GLN A 144 10.603 -0.450 -7.668 1.00 0.00 H new ATOM 0 HG2 GLN A 144 8.073 -2.113 -7.816 1.00 0.00 H new ATOM 0 HG3 GLN A 144 8.610 -1.097 -9.140 1.00 0.00 H new ATOM 0 HE21 GLN A 144 8.304 -3.806 -9.522 1.00 0.00 H new ATOM 0 HE22 GLN A 144 9.887 -4.565 -9.718 1.00 0.00 H new ATOM 1049 N PRO A 145 11.278 0.263 -4.773 1.00 0.00 N ATOM 1050 CA PRO A 145 11.655 1.336 -3.848 1.00 0.00 C ATOM 1051 C PRO A 145 10.843 2.607 -4.071 1.00 0.00 C ATOM 1052 O PRO A 145 10.363 2.864 -5.175 1.00 0.00 O ATOM 1053 CB PRO A 145 13.133 1.586 -4.168 1.00 0.00 C ATOM 1054 CG PRO A 145 13.606 0.329 -4.812 1.00 0.00 C ATOM 1055 CD PRO A 145 12.425 -0.222 -5.557 1.00 0.00 C ATOM 0 HA PRO A 145 11.471 1.057 -2.810 1.00 0.00 H new ATOM 0 HB2 PRO A 145 13.254 2.440 -4.834 1.00 0.00 H new ATOM 0 HB3 PRO A 145 13.701 1.804 -3.264 1.00 0.00 H new ATOM 0 HG2 PRO A 145 14.437 0.526 -5.489 1.00 0.00 H new ATOM 0 HG3 PRO A 145 13.963 -0.381 -4.066 1.00 0.00 H new ATOM 0 HD2 PRO A 145 12.392 0.140 -6.585 1.00 0.00 H new ATOM 0 HD3 PRO A 145 12.450 -1.311 -5.603 1.00 0.00 H new ATOM 1063 N VAL A 146 10.694 3.400 -3.015 1.00 0.00 N ATOM 1064 CA VAL A 146 9.942 4.645 -3.092 1.00 0.00 C ATOM 1065 C VAL A 146 10.611 5.739 -2.265 1.00 0.00 C ATOM 1066 O VAL A 146 11.714 5.552 -1.751 1.00 0.00 O ATOM 1067 CB VAL A 146 8.492 4.462 -2.604 1.00 0.00 C ATOM 1068 CG1 VAL A 146 7.729 3.533 -3.534 1.00 0.00 C ATOM 1069 CG2 VAL A 146 8.472 3.936 -1.177 1.00 0.00 C ATOM 0 H VAL A 146 11.085 3.201 -2.094 1.00 0.00 H new ATOM 0 HA VAL A 146 9.926 4.940 -4.141 1.00 0.00 H new ATOM 0 HB VAL A 146 7.998 5.434 -2.615 1.00 0.00 H new ATOM 0 HG11 VAL A 146 6.707 3.416 -3.173 1.00 0.00 H new ATOM 0 HG12 VAL A 146 7.713 3.956 -4.538 1.00 0.00 H new ATOM 0 HG13 VAL A 146 8.219 2.560 -3.558 1.00 0.00 H new ATOM 0 HG21 VAL A 146 7.440 3.813 -0.849 1.00 0.00 H new ATOM 0 HG22 VAL A 146 8.983 2.974 -1.137 1.00 0.00 H new ATOM 0 HG23 VAL A 146 8.979 4.644 -0.521 1.00 0.00 H new ATOM 1079 N GLU A 147 9.941 6.880 -2.143 1.00 0.00 N ATOM 1080 CA GLU A 147 10.478 8.000 -1.378 1.00 0.00 C ATOM 1081 C GLU A 147 9.362 8.790 -0.701 1.00 0.00 C ATOM 1082 O GLU A 147 8.271 8.941 -1.251 1.00 0.00 O ATOM 1083 CB GLU A 147 11.290 8.921 -2.289 1.00 0.00 C ATOM 1084 CG GLU A 147 12.759 8.544 -2.384 1.00 0.00 C ATOM 1085 CD GLU A 147 13.680 9.681 -1.989 1.00 0.00 C ATOM 1086 OE1 GLU A 147 13.960 10.543 -2.847 1.00 0.00 O ATOM 1087 OE2 GLU A 147 14.120 9.710 -0.820 1.00 0.00 O ATOM 0 H GLU A 147 9.028 7.054 -2.563 1.00 0.00 H new ATOM 0 HA GLU A 147 11.129 7.596 -0.603 1.00 0.00 H new ATOM 0 HB2 GLU A 147 10.854 8.906 -3.288 1.00 0.00 H new ATOM 0 HB3 GLU A 147 11.209 9.944 -1.922 1.00 0.00 H new ATOM 0 HG2 GLU A 147 12.952 7.685 -1.741 1.00 0.00 H new ATOM 0 HG3 GLU A 147 12.986 8.236 -3.405 1.00 0.00 H new ATOM 1094 N PHE A 148 9.644 9.293 0.496 1.00 0.00 N ATOM 1095 CA PHE A 148 8.667 10.071 1.250 1.00 0.00 C ATOM 1096 C PHE A 148 7.811 10.924 0.317 1.00 0.00 C ATOM 1097 O PHE A 148 8.332 11.714 -0.468 1.00 0.00 O ATOM 1098 CB PHE A 148 9.376 10.964 2.274 1.00 0.00 C ATOM 1099 CG PHE A 148 9.811 12.290 1.718 1.00 0.00 C ATOM 1100 CD1 PHE A 148 11.004 12.403 1.014 1.00 0.00 C ATOM 1101 CD2 PHE A 148 9.027 13.422 1.896 1.00 0.00 C ATOM 1102 CE1 PHE A 148 11.408 13.625 0.498 1.00 0.00 C ATOM 1103 CE2 PHE A 148 9.424 14.647 1.383 1.00 0.00 C ATOM 1104 CZ PHE A 148 10.616 14.749 0.683 1.00 0.00 C ATOM 0 H PHE A 148 10.542 9.176 0.966 1.00 0.00 H new ATOM 0 HA PHE A 148 8.013 9.375 1.776 1.00 0.00 H new ATOM 0 HB2 PHE A 148 8.708 11.135 3.118 1.00 0.00 H new ATOM 0 HB3 PHE A 148 10.249 10.437 2.660 1.00 0.00 H new ATOM 0 HD1 PHE A 148 11.623 11.530 0.867 1.00 0.00 H new ATOM 0 HD2 PHE A 148 8.097 13.347 2.440 1.00 0.00 H new ATOM 0 HE1 PHE A 148 12.337 13.702 -0.047 1.00 0.00 H new ATOM 0 HE2 PHE A 148 8.806 15.520 1.528 1.00 0.00 H new ATOM 0 HZ PHE A 148 10.928 15.702 0.282 1.00 0.00 H new ATOM 1114 N ASP A 149 6.494 10.756 0.408 1.00 0.00 N ATOM 1115 CA ASP A 149 5.569 11.512 -0.431 1.00 0.00 C ATOM 1116 C ASP A 149 5.488 10.909 -1.827 1.00 0.00 C ATOM 1117 O ASP A 149 5.304 11.622 -2.814 1.00 0.00 O ATOM 1118 CB ASP A 149 6.003 12.975 -0.518 1.00 0.00 C ATOM 1119 CG ASP A 149 4.827 13.932 -0.475 1.00 0.00 C ATOM 1120 OD1 ASP A 149 4.424 14.328 0.638 1.00 0.00 O ATOM 1121 OD2 ASP A 149 4.309 14.283 -1.556 1.00 0.00 O ATOM 0 H ASP A 149 6.045 10.105 1.052 1.00 0.00 H new ATOM 0 HA ASP A 149 4.580 11.462 0.025 1.00 0.00 H new ATOM 0 HB2 ASP A 149 6.681 13.199 0.306 1.00 0.00 H new ATOM 0 HB3 ASP A 149 6.561 13.131 -1.441 1.00 0.00 H new ATOM 1126 N GLU A 150 5.622 9.591 -1.902 1.00 0.00 N ATOM 1127 CA GLU A 150 5.561 8.891 -3.177 1.00 0.00 C ATOM 1128 C GLU A 150 4.277 8.078 -3.289 1.00 0.00 C ATOM 1129 O GLU A 150 4.293 6.854 -3.165 1.00 0.00 O ATOM 1130 CB GLU A 150 6.773 7.974 -3.342 1.00 0.00 C ATOM 1131 CG GLU A 150 7.962 8.652 -4.004 1.00 0.00 C ATOM 1132 CD GLU A 150 7.575 9.409 -5.259 1.00 0.00 C ATOM 1133 OE1 GLU A 150 6.620 8.981 -5.940 1.00 0.00 O ATOM 1134 OE2 GLU A 150 8.227 10.431 -5.561 1.00 0.00 O ATOM 0 H GLU A 150 5.774 8.986 -1.095 1.00 0.00 H new ATOM 0 HA GLU A 150 5.570 9.637 -3.971 1.00 0.00 H new ATOM 0 HB2 GLU A 150 7.075 7.605 -2.362 1.00 0.00 H new ATOM 0 HB3 GLU A 150 6.484 7.106 -3.935 1.00 0.00 H new ATOM 0 HG2 GLU A 150 8.424 9.341 -3.296 1.00 0.00 H new ATOM 0 HG3 GLU A 150 8.712 7.901 -4.253 1.00 0.00 H new ATOM 1141 N PRO A 151 3.144 8.754 -3.530 1.00 0.00 N ATOM 1142 CA PRO A 151 1.846 8.098 -3.669 1.00 0.00 C ATOM 1143 C PRO A 151 1.958 6.762 -4.397 1.00 0.00 C ATOM 1144 O PRO A 151 2.559 6.680 -5.468 1.00 0.00 O ATOM 1145 CB PRO A 151 1.054 9.107 -4.494 1.00 0.00 C ATOM 1146 CG PRO A 151 1.598 10.437 -4.083 1.00 0.00 C ATOM 1147 CD PRO A 151 3.043 10.215 -3.695 1.00 0.00 C ATOM 0 HA PRO A 151 1.387 7.854 -2.711 1.00 0.00 H new ATOM 0 HB2 PRO A 151 1.187 8.937 -5.562 1.00 0.00 H new ATOM 0 HB3 PRO A 151 -0.014 9.035 -4.290 1.00 0.00 H new ATOM 0 HG2 PRO A 151 1.523 11.155 -4.900 1.00 0.00 H new ATOM 0 HG3 PRO A 151 1.031 10.845 -3.246 1.00 0.00 H new ATOM 0 HD2 PRO A 151 3.724 10.578 -4.465 1.00 0.00 H new ATOM 0 HD3 PRO A 151 3.295 10.740 -2.773 1.00 0.00 H new ATOM 1155 N LEU A 152 1.390 5.715 -3.806 1.00 0.00 N ATOM 1156 CA LEU A 152 1.447 4.384 -4.403 1.00 0.00 C ATOM 1157 C LEU A 152 0.053 3.804 -4.618 1.00 0.00 C ATOM 1158 O LEU A 152 -0.337 3.506 -5.746 1.00 0.00 O ATOM 1159 CB LEU A 152 2.263 3.437 -3.516 1.00 0.00 C ATOM 1160 CG LEU A 152 3.302 4.112 -2.616 1.00 0.00 C ATOM 1161 CD1 LEU A 152 3.147 3.641 -1.179 1.00 0.00 C ATOM 1162 CD2 LEU A 152 4.708 3.828 -3.123 1.00 0.00 C ATOM 0 H LEU A 152 0.888 5.761 -2.919 1.00 0.00 H new ATOM 0 HA LEU A 152 1.930 4.483 -5.375 1.00 0.00 H new ATOM 0 HB2 LEU A 152 1.575 2.872 -2.887 1.00 0.00 H new ATOM 0 HB3 LEU A 152 2.774 2.717 -4.156 1.00 0.00 H new ATOM 0 HG LEU A 152 3.137 5.189 -2.644 1.00 0.00 H new ATOM 0 HD11 LEU A 152 3.893 4.131 -0.553 1.00 0.00 H new ATOM 0 HD12 LEU A 152 2.150 3.893 -0.819 1.00 0.00 H new ATOM 0 HD13 LEU A 152 3.287 2.561 -1.133 1.00 0.00 H new ATOM 0 HD21 LEU A 152 5.435 4.315 -2.472 1.00 0.00 H new ATOM 0 HD22 LEU A 152 4.884 2.752 -3.123 1.00 0.00 H new ATOM 0 HD23 LEU A 152 4.814 4.213 -4.137 1.00 0.00 H new ATOM 1174 N VAL A 153 -0.686 3.633 -3.529 1.00 0.00 N ATOM 1175 CA VAL A 153 -2.025 3.076 -3.592 1.00 0.00 C ATOM 1176 C VAL A 153 -3.080 4.141 -3.325 1.00 0.00 C ATOM 1177 O VAL A 153 -3.095 4.773 -2.267 1.00 0.00 O ATOM 1178 CB VAL A 153 -2.195 1.928 -2.580 1.00 0.00 C ATOM 1179 CG1 VAL A 153 -1.640 2.327 -1.223 1.00 0.00 C ATOM 1180 CG2 VAL A 153 -3.657 1.522 -2.470 1.00 0.00 C ATOM 0 H VAL A 153 -0.375 3.875 -2.588 1.00 0.00 H new ATOM 0 HA VAL A 153 -2.162 2.687 -4.601 1.00 0.00 H new ATOM 0 HB VAL A 153 -1.631 1.067 -2.938 1.00 0.00 H new ATOM 0 HG11 VAL A 153 -1.769 1.503 -0.521 1.00 0.00 H new ATOM 0 HG12 VAL A 153 -0.580 2.560 -1.318 1.00 0.00 H new ATOM 0 HG13 VAL A 153 -2.173 3.204 -0.855 1.00 0.00 H new ATOM 0 HG21 VAL A 153 -3.756 0.710 -1.750 1.00 0.00 H new ATOM 0 HG22 VAL A 153 -4.248 2.376 -2.137 1.00 0.00 H new ATOM 0 HG23 VAL A 153 -4.017 1.190 -3.444 1.00 0.00 H new ATOM 1190 N VAL A 154 -3.958 4.330 -4.300 1.00 0.00 N ATOM 1191 CA VAL A 154 -5.030 5.313 -4.200 1.00 0.00 C ATOM 1192 C VAL A 154 -6.355 4.650 -3.835 1.00 0.00 C ATOM 1193 O VAL A 154 -6.693 3.588 -4.361 1.00 0.00 O ATOM 1194 CB VAL A 154 -5.213 6.085 -5.519 1.00 0.00 C ATOM 1195 CG1 VAL A 154 -5.562 7.540 -5.243 1.00 0.00 C ATOM 1196 CG2 VAL A 154 -3.962 5.986 -6.381 1.00 0.00 C ATOM 0 H VAL A 154 -3.949 3.810 -5.178 1.00 0.00 H new ATOM 0 HA VAL A 154 -4.741 6.009 -3.413 1.00 0.00 H new ATOM 0 HB VAL A 154 -6.039 5.632 -6.067 1.00 0.00 H new ATOM 0 HG11 VAL A 154 -5.687 8.070 -6.187 1.00 0.00 H new ATOM 0 HG12 VAL A 154 -6.490 7.590 -4.673 1.00 0.00 H new ATOM 0 HG13 VAL A 154 -4.759 8.004 -4.671 1.00 0.00 H new ATOM 0 HG21 VAL A 154 -4.114 6.539 -7.308 1.00 0.00 H new ATOM 0 HG22 VAL A 154 -3.114 6.408 -5.842 1.00 0.00 H new ATOM 0 HG23 VAL A 154 -3.761 4.940 -6.611 1.00 0.00 H new ATOM 1206 N ILE A 155 -7.099 5.287 -2.935 1.00 0.00 N ATOM 1207 CA ILE A 155 -8.389 4.764 -2.493 1.00 0.00 C ATOM 1208 C ILE A 155 -9.506 5.782 -2.720 1.00 0.00 C ATOM 1209 O ILE A 155 -9.284 6.989 -2.631 1.00 0.00 O ATOM 1210 CB ILE A 155 -8.347 4.381 -0.999 1.00 0.00 C ATOM 1211 CG1 ILE A 155 -7.471 3.143 -0.795 1.00 0.00 C ATOM 1212 CG2 ILE A 155 -9.750 4.139 -0.466 1.00 0.00 C ATOM 1213 CD1 ILE A 155 -6.927 3.011 0.611 1.00 0.00 C ATOM 0 H ILE A 155 -6.830 6.168 -2.497 1.00 0.00 H new ATOM 0 HA ILE A 155 -8.595 3.873 -3.087 1.00 0.00 H new ATOM 0 HB ILE A 155 -7.912 5.210 -0.441 1.00 0.00 H new ATOM 0 HG12 ILE A 155 -8.052 2.253 -1.036 1.00 0.00 H new ATOM 0 HG13 ILE A 155 -6.637 3.178 -1.496 1.00 0.00 H new ATOM 0 HG21 ILE A 155 -9.697 3.870 0.589 1.00 0.00 H new ATOM 0 HG22 ILE A 155 -10.344 5.046 -0.580 1.00 0.00 H new ATOM 0 HG23 ILE A 155 -10.216 3.327 -1.024 1.00 0.00 H new ATOM 0 HD11 ILE A 155 -6.316 2.111 0.682 1.00 0.00 H new ATOM 0 HD12 ILE A 155 -6.318 3.883 0.849 1.00 0.00 H new ATOM 0 HD13 ILE A 155 -7.755 2.943 1.317 1.00 0.00 H new ATOM 1225 N GLU A 156 -10.708 5.288 -3.015 1.00 0.00 N ATOM 1226 CA GLU A 156 -11.853 6.159 -3.253 1.00 0.00 C ATOM 1227 C GLU A 156 -12.690 6.316 -1.988 1.00 0.00 C ATOM 1228 O GLU A 156 -13.295 7.393 -1.808 1.00 0.00 O ATOM 1229 CB GLU A 156 -12.719 5.602 -4.384 1.00 0.00 C ATOM 1230 CG GLU A 156 -14.017 6.367 -4.589 1.00 0.00 C ATOM 1231 CD GLU A 156 -15.205 5.452 -4.807 1.00 0.00 C ATOM 1232 OE1 GLU A 156 -15.411 4.539 -3.979 1.00 0.00 O ATOM 1233 OE2 GLU A 156 -15.931 5.647 -5.805 1.00 0.00 O ATOM 1234 OXT GLU A 156 -12.733 5.359 -1.186 1.00 0.00 O ATOM 0 H GLU A 156 -10.912 4.292 -3.094 1.00 0.00 H new ATOM 0 HA GLU A 156 -11.476 7.140 -3.542 1.00 0.00 H new ATOM 0 HB2 GLU A 156 -12.146 5.619 -5.311 1.00 0.00 H new ATOM 0 HB3 GLU A 156 -12.951 4.558 -4.172 1.00 0.00 H new ATOM 0 HG2 GLU A 156 -14.204 6.998 -3.720 1.00 0.00 H new ATOM 0 HG3 GLU A 156 -13.912 7.030 -5.448 1.00 0.00 H new