USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=15 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 :FLIP no HD1:sc= -3.09! C(o=-4.5!,f=-3.1!) USER MOD Single : A 85 SER OG : rot 128:sc= 0.354 USER MOD Single : A 87 MET CE :methyl -172:sc= 0 (180deg=-0.0499) USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.53 USER MOD Single : A 92 TYR OH : rot 180:sc= -1.63! 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= -0.449 X(o=-0.45,f=-0.41) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 ASN : amide:sc= -6.58! C(o=-6.6!,f=-7!) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0.0803 USER MOD Single : A 116 CYS SG : rot 157:sc= 0.502 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 176:sc= 0 (180deg=-0.0187) USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 125 ASN : amide:sc= -0.383 X(o=-0.38,f=0) USER MOD Single : A 126 GLN : amide:sc= -0.265 X(o=-0.27,f=-0.1) USER MOD Single : A 131 LYS NZ :NH3+ 153:sc= 0.29! (180deg=-2.15!) USER MOD Single : A 132 SER OG : rot -52:sc= 0.781 USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD Single : A 136 LYS NZ :NH3+ -174:sc= -1.27 (180deg=-1.52) USER MOD Single : A 142 SER OG : rot 110:sc= -0.635 USER MOD Single : A 144 GLN : amide:sc= -6.02! C(o=-6!,f=-10!) USER MOD ----------------------------------------------------------------- ATOM 66 N GLY A 80 -10.441 11.123 -3.463 1.00 0.00 N ATOM 67 CA GLY A 80 -9.626 9.922 -3.447 1.00 0.00 C ATOM 68 C GLY A 80 -9.067 9.616 -2.072 1.00 0.00 C ATOM 69 O GLY A 80 -9.683 9.944 -1.057 1.00 0.00 O ATOM 0 HA2 GLY A 80 -10.224 9.077 -3.789 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -8.803 10.036 -4.153 1.00 0.00 H new ATOM 73 N HIS A 81 -7.898 8.983 -2.037 1.00 0.00 N ATOM 74 CA HIS A 81 -7.256 8.629 -0.778 1.00 0.00 C ATOM 75 C HIS A 81 -6.049 7.729 -1.020 1.00 0.00 C ATOM 76 O HIS A 81 -6.148 6.506 -0.932 1.00 0.00 O ATOM 77 CB HIS A 81 -8.248 7.923 0.146 1.00 0.00 C ATOM 78 CG HIS A 81 -7.623 7.387 1.396 1.00 0.00 C ATOM 79 ND1 HIS A 81 -6.883 6.272 1.613 1.00 0.00 N flip ATOM 80 CD2 HIS A 81 -7.722 8.021 2.616 1.00 0.00 C flip ATOM 81 CE1 HIS A 81 -6.555 6.255 2.946 1.00 0.00 C flip ATOM 82 NE2 HIS A 81 -7.071 7.321 3.528 1.00 0.00 N flip ATOM 0 H HIS A 81 -7.376 8.705 -2.868 1.00 0.00 H new ATOM 0 HA HIS A 81 -6.917 9.549 -0.302 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -9.041 8.621 0.416 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -8.717 7.102 -0.397 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -8.249 8.946 2.798 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -5.970 5.493 3.438 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -6.982 7.563 4.515 1.00 0.00 H new ATOM 91 N ILE A 82 -4.910 8.339 -1.322 1.00 0.00 N ATOM 92 CA ILE A 82 -3.688 7.587 -1.573 1.00 0.00 C ATOM 93 C ILE A 82 -2.927 7.335 -0.279 1.00 0.00 C ATOM 94 O ILE A 82 -3.375 7.713 0.804 1.00 0.00 O ATOM 95 CB ILE A 82 -2.757 8.321 -2.558 1.00 0.00 C ATOM 96 CG1 ILE A 82 -3.529 9.376 -3.344 1.00 0.00 C ATOM 97 CG2 ILE A 82 -2.092 7.330 -3.502 1.00 0.00 C ATOM 98 CD1 ILE A 82 -4.819 8.859 -3.934 1.00 0.00 C ATOM 0 H ILE A 82 -4.807 9.351 -1.399 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.992 6.637 -2.013 1.00 0.00 H new ATOM 0 HB ILE A 82 -1.979 8.825 -1.984 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -3.750 10.218 -2.688 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -2.897 9.755 -4.147 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -1.438 7.866 -4.190 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -1.504 6.616 -2.925 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -2.856 6.797 -4.068 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -5.317 9.661 -4.479 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -4.603 8.036 -4.615 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -5.470 8.506 -3.134 1.00 0.00 H new ATOM 110 N VAL A 83 -1.769 6.700 -0.400 1.00 0.00 N ATOM 111 CA VAL A 83 -0.933 6.401 0.756 1.00 0.00 C ATOM 112 C VAL A 83 0.540 6.595 0.420 1.00 0.00 C ATOM 113 O VAL A 83 1.393 5.818 0.850 1.00 0.00 O ATOM 114 CB VAL A 83 -1.151 4.963 1.261 1.00 0.00 C ATOM 115 CG1 VAL A 83 -0.826 4.864 2.744 1.00 0.00 C ATOM 116 CG2 VAL A 83 -2.578 4.511 0.990 1.00 0.00 C ATOM 0 H VAL A 83 -1.386 6.381 -1.290 1.00 0.00 H new ATOM 0 HA VAL A 83 -1.223 7.094 1.546 1.00 0.00 H new ATOM 0 HB VAL A 83 -0.476 4.301 0.718 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -0.986 3.841 3.084 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.215 5.142 2.908 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -1.474 5.538 3.304 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -2.712 3.492 1.354 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -3.274 5.175 1.504 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.772 4.542 -0.082 1.00 0.00 H new ATOM 126 N ARG A 84 0.826 7.638 -0.352 1.00 0.00 N ATOM 127 CA ARG A 84 2.194 7.946 -0.755 1.00 0.00 C ATOM 128 C ARG A 84 3.182 7.582 0.346 1.00 0.00 C ATOM 129 O ARG A 84 3.029 7.998 1.494 1.00 0.00 O ATOM 130 CB ARG A 84 2.320 9.431 -1.101 1.00 0.00 C ATOM 131 CG ARG A 84 1.234 10.295 -0.480 1.00 0.00 C ATOM 132 CD ARG A 84 1.514 11.775 -0.687 1.00 0.00 C ATOM 133 NE ARG A 84 0.499 12.618 -0.064 1.00 0.00 N ATOM 134 CZ ARG A 84 -0.760 12.691 -0.486 1.00 0.00 C ATOM 135 NH1 ARG A 84 -1.154 11.974 -1.530 1.00 0.00 N ATOM 136 NH2 ARG A 84 -1.625 13.481 0.135 1.00 0.00 N ATOM 0 H ARG A 84 0.126 8.287 -0.712 1.00 0.00 H new ATOM 0 HA ARG A 84 2.430 7.351 -1.638 1.00 0.00 H new ATOM 0 HB2 ARG A 84 3.294 9.791 -0.769 1.00 0.00 H new ATOM 0 HB3 ARG A 84 2.290 9.547 -2.184 1.00 0.00 H new ATOM 0 HG2 ARG A 84 0.270 10.041 -0.920 1.00 0.00 H new ATOM 0 HG3 ARG A 84 1.164 10.082 0.587 1.00 0.00 H new ATOM 0 HD2 ARG A 84 2.492 12.020 -0.273 1.00 0.00 H new ATOM 0 HD3 ARG A 84 1.557 11.989 -1.755 1.00 0.00 H new ATOM 0 HE ARG A 84 0.770 13.183 0.741 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -0.491 11.366 -2.010 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -2.120 12.031 -1.853 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -1.325 14.034 0.938 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -2.590 13.536 -0.190 1.00 0.00 H new ATOM 150 N SER A 85 4.197 6.803 -0.013 1.00 0.00 N ATOM 151 CA SER A 85 5.210 6.384 0.946 1.00 0.00 C ATOM 152 C SER A 85 5.544 7.515 1.913 1.00 0.00 C ATOM 153 O SER A 85 6.125 8.528 1.523 1.00 0.00 O ATOM 154 CB SER A 85 6.476 5.932 0.217 1.00 0.00 C ATOM 155 OG SER A 85 7.480 6.929 0.270 1.00 0.00 O ATOM 0 H SER A 85 4.339 6.450 -0.959 1.00 0.00 H new ATOM 0 HA SER A 85 4.809 5.547 1.518 1.00 0.00 H new ATOM 0 HB2 SER A 85 6.849 5.012 0.667 1.00 0.00 H new ATOM 0 HB3 SER A 85 6.239 5.705 -0.823 1.00 0.00 H new ATOM 0 HG SER A 85 8.315 6.535 0.599 1.00 0.00 H new ATOM 161 N PRO A 86 5.180 7.354 3.193 1.00 0.00 N ATOM 162 CA PRO A 86 5.444 8.363 4.224 1.00 0.00 C ATOM 163 C PRO A 86 6.936 8.605 4.415 1.00 0.00 C ATOM 164 O PRO A 86 7.344 9.555 5.084 1.00 0.00 O ATOM 165 CB PRO A 86 4.830 7.759 5.493 1.00 0.00 C ATOM 166 CG PRO A 86 4.726 6.298 5.215 1.00 0.00 C ATOM 167 CD PRO A 86 4.489 6.176 3.738 1.00 0.00 C ATOM 0 HA PRO A 86 5.024 9.334 3.961 1.00 0.00 H new ATOM 0 HB2 PRO A 86 5.456 7.951 6.364 1.00 0.00 H new ATOM 0 HB3 PRO A 86 3.852 8.191 5.702 1.00 0.00 H new ATOM 0 HG2 PRO A 86 5.638 5.779 5.508 1.00 0.00 H new ATOM 0 HG3 PRO A 86 3.909 5.850 5.780 1.00 0.00 H new ATOM 0 HD2 PRO A 86 4.898 5.248 3.339 1.00 0.00 H new ATOM 0 HD3 PRO A 86 3.426 6.185 3.498 1.00 0.00 H new ATOM 175 N MET A 87 7.745 7.735 3.821 1.00 0.00 N ATOM 176 CA MET A 87 9.196 7.846 3.916 1.00 0.00 C ATOM 177 C MET A 87 9.866 7.139 2.743 1.00 0.00 C ATOM 178 O MET A 87 9.197 6.534 1.907 1.00 0.00 O ATOM 179 CB MET A 87 9.689 7.249 5.236 1.00 0.00 C ATOM 180 CG MET A 87 9.738 5.730 5.237 1.00 0.00 C ATOM 181 SD MET A 87 9.367 5.024 6.855 1.00 0.00 S ATOM 182 CE MET A 87 10.677 5.740 7.844 1.00 0.00 C ATOM 0 H MET A 87 7.419 6.943 3.267 1.00 0.00 H new ATOM 0 HA MET A 87 9.461 8.903 3.884 1.00 0.00 H new ATOM 0 HB2 MET A 87 10.685 7.636 5.451 1.00 0.00 H new ATOM 0 HB3 MET A 87 9.036 7.584 6.042 1.00 0.00 H new ATOM 0 HG2 MET A 87 9.026 5.347 4.506 1.00 0.00 H new ATOM 0 HG3 MET A 87 10.728 5.402 4.920 1.00 0.00 H new ATOM 0 HE1 MET A 87 10.671 5.290 8.837 1.00 0.00 H new ATOM 0 HE2 MET A 87 11.638 5.552 7.366 1.00 0.00 H new ATOM 0 HE3 MET A 87 10.520 6.815 7.932 1.00 0.00 H new ATOM 192 N VAL A 88 11.190 7.222 2.686 1.00 0.00 N ATOM 193 CA VAL A 88 11.947 6.588 1.614 1.00 0.00 C ATOM 194 C VAL A 88 12.137 5.099 1.883 1.00 0.00 C ATOM 195 O VAL A 88 13.074 4.697 2.573 1.00 0.00 O ATOM 196 CB VAL A 88 13.327 7.252 1.434 1.00 0.00 C ATOM 197 CG1 VAL A 88 13.988 7.483 2.784 1.00 0.00 C ATOM 198 CG2 VAL A 88 14.216 6.408 0.533 1.00 0.00 C ATOM 0 H VAL A 88 11.761 7.721 3.368 1.00 0.00 H new ATOM 0 HA VAL A 88 11.371 6.716 0.698 1.00 0.00 H new ATOM 0 HB VAL A 88 13.183 8.220 0.955 1.00 0.00 H new ATOM 0 HG11 VAL A 88 14.961 7.952 2.637 1.00 0.00 H new ATOM 0 HG12 VAL A 88 13.359 8.134 3.391 1.00 0.00 H new ATOM 0 HG13 VAL A 88 14.119 6.528 3.293 1.00 0.00 H new ATOM 0 HG21 VAL A 88 15.185 6.894 0.419 1.00 0.00 H new ATOM 0 HG22 VAL A 88 14.355 5.423 0.978 1.00 0.00 H new ATOM 0 HG23 VAL A 88 13.746 6.301 -0.445 1.00 0.00 H new ATOM 208 N GLY A 89 11.240 4.285 1.334 1.00 0.00 N ATOM 209 CA GLY A 89 11.326 2.850 1.526 1.00 0.00 C ATOM 210 C GLY A 89 10.909 2.071 0.294 1.00 0.00 C ATOM 211 O GLY A 89 11.470 2.259 -0.786 1.00 0.00 O ATOM 0 H GLY A 89 10.456 4.594 0.760 1.00 0.00 H new ATOM 0 HA2 GLY A 89 12.349 2.583 1.791 1.00 0.00 H new ATOM 0 HA3 GLY A 89 10.694 2.561 2.365 1.00 0.00 H new ATOM 215 N THR A 90 9.925 1.192 0.455 1.00 0.00 N ATOM 216 CA THR A 90 9.437 0.380 -0.654 1.00 0.00 C ATOM 217 C THR A 90 7.964 0.026 -0.466 1.00 0.00 C ATOM 218 O THR A 90 7.479 -0.080 0.660 1.00 0.00 O ATOM 219 CB THR A 90 10.269 -0.897 -0.780 1.00 0.00 C ATOM 220 OG1 THR A 90 11.595 -0.592 -1.175 1.00 0.00 O ATOM 221 CG2 THR A 90 9.706 -1.884 -1.779 1.00 0.00 C ATOM 0 H THR A 90 9.450 1.024 1.342 1.00 0.00 H new ATOM 0 HA THR A 90 9.536 0.963 -1.570 1.00 0.00 H new ATOM 0 HB THR A 90 10.246 -1.356 0.208 1.00 0.00 H new ATOM 0 HG1 THR A 90 12.113 -1.421 -1.249 1.00 0.00 H new ATOM 0 HG21 THR A 90 10.345 -2.766 -1.818 1.00 0.00 H new ATOM 0 HG22 THR A 90 8.701 -2.177 -1.475 1.00 0.00 H new ATOM 0 HG23 THR A 90 9.666 -1.421 -2.765 1.00 0.00 H new ATOM 229 N PHE A 91 7.257 -0.155 -1.579 1.00 0.00 N ATOM 230 CA PHE A 91 5.840 -0.497 -1.539 1.00 0.00 C ATOM 231 C PHE A 91 5.593 -1.870 -2.157 1.00 0.00 C ATOM 232 O PHE A 91 6.239 -2.250 -3.136 1.00 0.00 O ATOM 233 CB PHE A 91 5.017 0.568 -2.272 1.00 0.00 C ATOM 234 CG PHE A 91 3.681 0.077 -2.754 1.00 0.00 C ATOM 235 CD1 PHE A 91 3.590 -0.718 -3.892 1.00 0.00 C ATOM 236 CD2 PHE A 91 2.513 0.407 -2.072 1.00 0.00 C ATOM 237 CE1 PHE A 91 2.361 -1.174 -4.342 1.00 0.00 C ATOM 238 CE2 PHE A 91 1.283 -0.046 -2.518 1.00 0.00 C ATOM 239 CZ PHE A 91 1.207 -0.837 -3.652 1.00 0.00 C ATOM 0 H PHE A 91 7.644 -0.070 -2.519 1.00 0.00 H new ATOM 0 HA PHE A 91 5.527 -0.531 -0.495 1.00 0.00 H new ATOM 0 HB2 PHE A 91 4.863 1.417 -1.606 1.00 0.00 H new ATOM 0 HB3 PHE A 91 5.589 0.932 -3.125 1.00 0.00 H new ATOM 0 HD1 PHE A 91 4.488 -0.983 -4.431 1.00 0.00 H new ATOM 0 HD2 PHE A 91 2.567 1.023 -1.186 1.00 0.00 H new ATOM 0 HE1 PHE A 91 2.303 -1.790 -5.227 1.00 0.00 H new ATOM 0 HE2 PHE A 91 0.383 0.217 -1.982 1.00 0.00 H new ATOM 0 HZ PHE A 91 0.248 -1.192 -3.999 1.00 0.00 H new ATOM 249 N TYR A 92 4.652 -2.611 -1.576 1.00 0.00 N ATOM 250 CA TYR A 92 4.314 -3.943 -2.063 1.00 0.00 C ATOM 251 C TYR A 92 2.816 -4.203 -1.950 1.00 0.00 C ATOM 252 O TYR A 92 2.107 -3.504 -1.228 1.00 0.00 O ATOM 253 CB TYR A 92 5.083 -5.005 -1.275 1.00 0.00 C ATOM 254 CG TYR A 92 6.580 -4.921 -1.452 1.00 0.00 C ATOM 255 CD1 TYR A 92 7.132 -4.622 -2.693 1.00 0.00 C ATOM 256 CD2 TYR A 92 7.443 -5.139 -0.379 1.00 0.00 C ATOM 257 CE1 TYR A 92 8.506 -4.543 -2.865 1.00 0.00 C ATOM 258 CE2 TYR A 92 8.817 -5.062 -0.541 1.00 0.00 C ATOM 259 CZ TYR A 92 9.343 -4.763 -1.786 1.00 0.00 C ATOM 260 OH TYR A 92 10.707 -4.685 -1.951 1.00 0.00 O ATOM 0 H TYR A 92 4.110 -2.309 -0.766 1.00 0.00 H new ATOM 0 HA TYR A 92 4.596 -3.999 -3.114 1.00 0.00 H new ATOM 0 HB2 TYR A 92 4.844 -4.904 -0.216 1.00 0.00 H new ATOM 0 HB3 TYR A 92 4.743 -5.993 -1.586 1.00 0.00 H new ATOM 0 HD1 TYR A 92 6.480 -4.449 -3.536 1.00 0.00 H new ATOM 0 HD2 TYR A 92 7.034 -5.371 0.593 1.00 0.00 H new ATOM 0 HE1 TYR A 92 8.920 -4.311 -3.835 1.00 0.00 H new ATOM 0 HE2 TYR A 92 9.474 -5.234 0.299 1.00 0.00 H new ATOM 0 HH TYR A 92 11.151 -4.865 -1.096 1.00 0.00 H new ATOM 270 N ARG A 93 2.344 -5.217 -2.665 1.00 0.00 N ATOM 271 CA ARG A 93 0.930 -5.577 -2.642 1.00 0.00 C ATOM 272 C ARG A 93 0.756 -7.090 -2.728 1.00 0.00 C ATOM 273 O ARG A 93 -0.284 -7.582 -3.166 1.00 0.00 O ATOM 274 CB ARG A 93 0.187 -4.896 -3.793 1.00 0.00 C ATOM 275 CG ARG A 93 0.614 -5.381 -5.168 1.00 0.00 C ATOM 276 CD ARG A 93 -0.112 -4.630 -6.272 1.00 0.00 C ATOM 277 NE ARG A 93 0.175 -5.184 -7.592 1.00 0.00 N ATOM 278 CZ ARG A 93 -0.621 -5.025 -8.646 1.00 0.00 C ATOM 279 NH1 ARG A 93 -1.745 -4.331 -8.530 1.00 0.00 N ATOM 280 NH2 ARG A 93 -0.291 -5.559 -9.813 1.00 0.00 N ATOM 0 H ARG A 93 2.919 -5.805 -3.268 1.00 0.00 H new ATOM 0 HA ARG A 93 0.507 -5.233 -1.698 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -0.883 -5.066 -3.674 1.00 0.00 H new ATOM 0 HB3 ARG A 93 0.348 -3.820 -3.731 1.00 0.00 H new ATOM 0 HG2 ARG A 93 1.690 -5.250 -5.284 1.00 0.00 H new ATOM 0 HG3 ARG A 93 0.411 -6.448 -5.258 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -1.186 -4.667 -6.089 1.00 0.00 H new ATOM 0 HD3 ARG A 93 0.180 -3.580 -6.248 1.00 0.00 H new ATOM 0 HE ARG A 93 1.033 -5.722 -7.713 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -2.000 -3.919 -7.632 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -2.355 -4.209 -9.338 1.00 0.00 H new ATOM 0 HH21 ARG A 93 0.574 -6.092 -9.904 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -0.902 -5.437 -10.621 1.00 0.00 H new ATOM 294 N THR A 94 1.782 -7.821 -2.305 1.00 0.00 N ATOM 295 CA THR A 94 1.748 -9.278 -2.328 1.00 0.00 C ATOM 296 C THR A 94 2.724 -9.858 -1.309 1.00 0.00 C ATOM 297 O THR A 94 3.899 -10.069 -1.608 1.00 0.00 O ATOM 298 CB THR A 94 2.086 -9.796 -3.727 1.00 0.00 C ATOM 299 OG1 THR A 94 2.691 -8.779 -4.505 1.00 0.00 O ATOM 300 CG2 THR A 94 0.878 -10.299 -4.488 1.00 0.00 C ATOM 0 H THR A 94 2.649 -7.426 -1.941 1.00 0.00 H new ATOM 0 HA THR A 94 0.740 -9.598 -2.065 1.00 0.00 H new ATOM 0 HB THR A 94 2.768 -10.631 -3.568 1.00 0.00 H new ATOM 0 HG1 THR A 94 2.901 -9.130 -5.396 1.00 0.00 H new ATOM 0 HG21 THR A 94 1.188 -10.652 -5.472 1.00 0.00 H new ATOM 0 HG22 THR A 94 0.417 -11.119 -3.938 1.00 0.00 H new ATOM 0 HG23 THR A 94 0.158 -9.489 -4.604 1.00 0.00 H new ATOM 308 N PRO A 95 2.242 -10.121 -0.085 1.00 0.00 N ATOM 309 CA PRO A 95 3.069 -10.676 0.992 1.00 0.00 C ATOM 310 C PRO A 95 3.494 -12.116 0.721 1.00 0.00 C ATOM 311 O PRO A 95 4.515 -12.578 1.230 1.00 0.00 O ATOM 312 CB PRO A 95 2.151 -10.612 2.216 1.00 0.00 C ATOM 313 CG PRO A 95 0.771 -10.622 1.657 1.00 0.00 C ATOM 314 CD PRO A 95 0.852 -9.893 0.345 1.00 0.00 C ATOM 0 HA PRO A 95 4.001 -10.124 1.111 1.00 0.00 H new ATOM 0 HB2 PRO A 95 2.316 -11.462 2.879 1.00 0.00 H new ATOM 0 HB3 PRO A 95 2.334 -9.711 2.801 1.00 0.00 H new ATOM 0 HG2 PRO A 95 0.414 -11.642 1.515 1.00 0.00 H new ATOM 0 HG3 PRO A 95 0.072 -10.131 2.334 1.00 0.00 H new ATOM 0 HD2 PRO A 95 0.138 -10.286 -0.378 1.00 0.00 H new ATOM 0 HD3 PRO A 95 0.636 -8.831 0.461 1.00 0.00 H new ATOM 322 N SER A 96 2.706 -12.822 -0.084 1.00 0.00 N ATOM 323 CA SER A 96 3.005 -14.210 -0.417 1.00 0.00 C ATOM 324 C SER A 96 2.815 -14.469 -1.908 1.00 0.00 C ATOM 325 O SER A 96 1.807 -14.078 -2.495 1.00 0.00 O ATOM 326 CB SER A 96 2.116 -15.155 0.394 1.00 0.00 C ATOM 327 OG SER A 96 1.818 -14.608 1.666 1.00 0.00 O ATOM 0 H SER A 96 1.858 -12.457 -0.517 1.00 0.00 H new ATOM 0 HA SER A 96 4.049 -14.398 -0.166 1.00 0.00 H new ATOM 0 HB2 SER A 96 1.191 -15.345 -0.150 1.00 0.00 H new ATOM 0 HB3 SER A 96 2.617 -16.115 0.516 1.00 0.00 H new ATOM 0 HG SER A 96 1.247 -15.230 2.164 1.00 0.00 H new ATOM 333 N PRO A 97 3.790 -15.138 -2.540 1.00 0.00 N ATOM 334 CA PRO A 97 3.737 -15.456 -3.971 1.00 0.00 C ATOM 335 C PRO A 97 2.463 -16.203 -4.349 1.00 0.00 C ATOM 336 O PRO A 97 2.281 -17.365 -3.984 1.00 0.00 O ATOM 337 CB PRO A 97 4.962 -16.348 -4.185 1.00 0.00 C ATOM 338 CG PRO A 97 5.893 -15.992 -3.078 1.00 0.00 C ATOM 339 CD PRO A 97 5.022 -15.635 -1.906 1.00 0.00 C ATOM 0 HA PRO A 97 3.736 -14.557 -4.588 1.00 0.00 H new ATOM 0 HB2 PRO A 97 4.693 -17.404 -4.151 1.00 0.00 H new ATOM 0 HB3 PRO A 97 5.418 -16.167 -5.158 1.00 0.00 H new ATOM 0 HG2 PRO A 97 6.550 -16.827 -2.836 1.00 0.00 H new ATOM 0 HG3 PRO A 97 6.532 -15.155 -3.359 1.00 0.00 H new ATOM 0 HD2 PRO A 97 4.827 -16.499 -1.271 1.00 0.00 H new ATOM 0 HD3 PRO A 97 5.486 -14.875 -1.277 1.00 0.00 H new ATOM 347 N ASP A 98 1.582 -15.530 -5.080 1.00 0.00 N ATOM 348 CA ASP A 98 0.323 -16.130 -5.508 1.00 0.00 C ATOM 349 C ASP A 98 -0.716 -16.065 -4.392 1.00 0.00 C ATOM 350 O ASP A 98 -1.390 -17.053 -4.101 1.00 0.00 O ATOM 351 CB ASP A 98 0.546 -17.584 -5.930 1.00 0.00 C ATOM 352 CG ASP A 98 -0.609 -18.132 -6.746 1.00 0.00 C ATOM 353 OD1 ASP A 98 -1.591 -18.608 -6.139 1.00 0.00 O ATOM 354 OD2 ASP A 98 -0.529 -18.087 -7.992 1.00 0.00 O ATOM 0 H ASP A 98 1.716 -14.567 -5.389 1.00 0.00 H new ATOM 0 HA ASP A 98 -0.051 -15.564 -6.362 1.00 0.00 H new ATOM 0 HB2 ASP A 98 1.464 -17.654 -6.513 1.00 0.00 H new ATOM 0 HB3 ASP A 98 0.685 -18.200 -5.042 1.00 0.00 H new ATOM 359 N ALA A 99 -0.839 -14.896 -3.773 1.00 0.00 N ATOM 360 CA ALA A 99 -1.795 -14.702 -2.690 1.00 0.00 C ATOM 361 C ALA A 99 -2.975 -13.851 -3.146 1.00 0.00 C ATOM 362 O ALA A 99 -3.168 -13.628 -4.340 1.00 0.00 O ATOM 363 CB ALA A 99 -1.113 -14.059 -1.492 1.00 0.00 C ATOM 0 H ALA A 99 -0.288 -14.069 -4.003 1.00 0.00 H new ATOM 0 HA ALA A 99 -2.176 -15.680 -2.396 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -1.839 -13.920 -0.691 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -0.307 -14.704 -1.143 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -0.704 -13.091 -1.782 1.00 0.00 H new ATOM 369 N LYS A 100 -3.761 -13.378 -2.185 1.00 0.00 N ATOM 370 CA LYS A 100 -4.923 -12.550 -2.485 1.00 0.00 C ATOM 371 C LYS A 100 -4.546 -11.073 -2.499 1.00 0.00 C ATOM 372 O LYS A 100 -5.396 -10.203 -2.305 1.00 0.00 O ATOM 373 CB LYS A 100 -6.031 -12.798 -1.460 1.00 0.00 C ATOM 374 CG LYS A 100 -5.874 -11.985 -0.185 1.00 0.00 C ATOM 375 CD LYS A 100 -6.060 -12.848 1.052 1.00 0.00 C ATOM 376 CE LYS A 100 -7.512 -13.259 1.232 1.00 0.00 C ATOM 377 NZ LYS A 100 -7.943 -13.172 2.654 1.00 0.00 N ATOM 0 H LYS A 100 -3.614 -13.554 -1.191 1.00 0.00 H new ATOM 0 HA LYS A 100 -5.288 -12.823 -3.475 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -6.994 -12.563 -1.914 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -6.048 -13.858 -1.205 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -4.886 -11.526 -0.164 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -6.602 -11.174 -0.177 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -5.436 -13.738 0.973 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -5.724 -12.301 1.933 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -8.148 -12.620 0.620 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -7.647 -14.280 0.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -8.939 -13.461 2.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -7.353 -13.801 3.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -7.839 -12.193 2.989 1.00 0.00 H new ATOM 391 N ALA A 101 -3.267 -10.796 -2.732 1.00 0.00 N ATOM 392 CA ALA A 101 -2.776 -9.424 -2.772 1.00 0.00 C ATOM 393 C ALA A 101 -3.085 -8.691 -1.471 1.00 0.00 C ATOM 394 O ALA A 101 -3.969 -9.094 -0.715 1.00 0.00 O ATOM 395 CB ALA A 101 -3.382 -8.683 -3.955 1.00 0.00 C ATOM 0 H ALA A 101 -2.552 -11.504 -2.896 1.00 0.00 H new ATOM 0 HA ALA A 101 -1.693 -9.455 -2.891 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -3.007 -7.660 -3.974 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -3.106 -9.188 -4.881 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -4.468 -8.670 -3.859 1.00 0.00 H new ATOM 401 N PHE A 102 -2.350 -7.613 -1.216 1.00 0.00 N ATOM 402 CA PHE A 102 -2.547 -6.824 -0.005 1.00 0.00 C ATOM 403 C PHE A 102 -3.615 -5.757 -0.221 1.00 0.00 C ATOM 404 O PHE A 102 -4.411 -5.472 0.673 1.00 0.00 O ATOM 405 CB PHE A 102 -1.232 -6.167 0.420 1.00 0.00 C ATOM 406 CG PHE A 102 -0.838 -6.470 1.839 1.00 0.00 C ATOM 407 CD1 PHE A 102 -1.802 -6.782 2.791 1.00 0.00 C ATOM 408 CD2 PHE A 102 0.499 -6.444 2.222 1.00 0.00 C ATOM 409 CE1 PHE A 102 -1.440 -7.064 4.099 1.00 0.00 C ATOM 410 CE2 PHE A 102 0.867 -6.724 3.529 1.00 0.00 C ATOM 411 CZ PHE A 102 -0.103 -7.034 4.468 1.00 0.00 C ATOM 0 H PHE A 102 -1.614 -7.266 -1.831 1.00 0.00 H new ATOM 0 HA PHE A 102 -2.882 -7.494 0.786 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -0.437 -6.499 -0.248 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -1.319 -5.087 0.299 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -2.844 -6.805 2.508 1.00 0.00 H new ATOM 0 HD2 PHE A 102 1.259 -6.203 1.493 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -2.197 -7.307 4.830 1.00 0.00 H new ATOM 0 HE2 PHE A 102 1.908 -6.700 3.815 1.00 0.00 H new ATOM 0 HZ PHE A 102 0.181 -7.252 5.487 1.00 0.00 H new ATOM 421 N ILE A 103 -3.626 -5.172 -1.415 1.00 0.00 N ATOM 422 CA ILE A 103 -4.596 -4.136 -1.750 1.00 0.00 C ATOM 423 C ILE A 103 -4.554 -3.804 -3.237 1.00 0.00 C ATOM 424 O ILE A 103 -3.589 -3.213 -3.723 1.00 0.00 O ATOM 425 CB ILE A 103 -4.344 -2.850 -0.940 1.00 0.00 C ATOM 426 CG1 ILE A 103 -2.842 -2.598 -0.797 1.00 0.00 C ATOM 427 CG2 ILE A 103 -5.005 -2.944 0.426 1.00 0.00 C ATOM 428 CD1 ILE A 103 -2.376 -1.323 -1.467 1.00 0.00 C ATOM 0 H ILE A 103 -2.974 -5.398 -2.166 1.00 0.00 H new ATOM 0 HA ILE A 103 -5.581 -4.529 -1.497 1.00 0.00 H new ATOM 0 HB ILE A 103 -4.785 -2.009 -1.476 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -2.588 -2.556 0.262 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -2.298 -3.442 -1.222 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -4.817 -2.027 0.985 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -6.079 -3.079 0.302 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -4.593 -3.793 0.972 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -1.301 -1.209 -1.325 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -2.598 -1.370 -2.533 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -2.893 -0.470 -1.026 1.00 0.00 H new ATOM 440 N GLU A 104 -5.605 -4.186 -3.954 1.00 0.00 N ATOM 441 CA GLU A 104 -5.687 -3.926 -5.387 1.00 0.00 C ATOM 442 C GLU A 104 -6.926 -3.102 -5.719 1.00 0.00 C ATOM 443 O GLU A 104 -7.860 -3.018 -4.920 1.00 0.00 O ATOM 444 CB GLU A 104 -5.709 -5.245 -6.166 1.00 0.00 C ATOM 445 CG GLU A 104 -7.100 -5.837 -6.325 1.00 0.00 C ATOM 446 CD GLU A 104 -7.651 -6.391 -5.026 1.00 0.00 C ATOM 447 OE1 GLU A 104 -7.017 -6.173 -3.971 1.00 0.00 O ATOM 448 OE2 GLU A 104 -8.715 -7.043 -5.062 1.00 0.00 O ATOM 0 H GLU A 104 -6.411 -4.676 -3.567 1.00 0.00 H new ATOM 0 HA GLU A 104 -4.805 -3.356 -5.680 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -5.279 -5.081 -7.154 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -5.072 -5.968 -5.657 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -7.776 -5.070 -6.704 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -7.069 -6.632 -7.070 1.00 0.00 H new ATOM 455 N VAL A 105 -6.930 -2.497 -6.901 1.00 0.00 N ATOM 456 CA VAL A 105 -8.055 -1.680 -7.336 1.00 0.00 C ATOM 457 C VAL A 105 -9.381 -2.378 -7.055 1.00 0.00 C ATOM 458 O VAL A 105 -9.822 -3.230 -7.826 1.00 0.00 O ATOM 459 CB VAL A 105 -7.968 -1.355 -8.839 1.00 0.00 C ATOM 460 CG1 VAL A 105 -8.912 -0.218 -9.196 1.00 0.00 C ATOM 461 CG2 VAL A 105 -6.538 -1.013 -9.229 1.00 0.00 C ATOM 0 H VAL A 105 -6.167 -2.557 -7.575 1.00 0.00 H new ATOM 0 HA VAL A 105 -8.008 -0.750 -6.769 1.00 0.00 H new ATOM 0 HB VAL A 105 -8.272 -2.238 -9.401 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -8.836 -0.003 -10.262 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -9.936 -0.506 -8.956 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -8.642 0.671 -8.626 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -6.496 -0.786 -10.294 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -6.203 -0.146 -8.660 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -5.889 -1.862 -9.013 1.00 0.00 H new ATOM 471 N GLY A 106 -10.013 -2.012 -5.943 1.00 0.00 N ATOM 472 CA GLY A 106 -11.281 -2.614 -5.579 1.00 0.00 C ATOM 473 C GLY A 106 -11.299 -3.108 -4.145 1.00 0.00 C ATOM 474 O GLY A 106 -12.346 -3.495 -3.627 1.00 0.00 O ATOM 0 H GLY A 106 -9.669 -1.309 -5.289 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -12.079 -1.885 -5.719 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -11.490 -3.448 -6.250 1.00 0.00 H new ATOM 478 N GLN A 107 -10.136 -3.096 -3.502 1.00 0.00 N ATOM 479 CA GLN A 107 -10.020 -3.547 -2.119 1.00 0.00 C ATOM 480 C GLN A 107 -10.689 -2.561 -1.168 1.00 0.00 C ATOM 481 O GLN A 107 -10.111 -1.532 -0.818 1.00 0.00 O ATOM 482 CB GLN A 107 -8.549 -3.723 -1.739 1.00 0.00 C ATOM 483 CG GLN A 107 -8.337 -4.599 -0.514 1.00 0.00 C ATOM 484 CD GLN A 107 -9.192 -5.850 -0.538 1.00 0.00 C ATOM 485 OE1 GLN A 107 -9.076 -6.679 -1.441 1.00 0.00 O ATOM 486 NE2 GLN A 107 -10.059 -5.993 0.457 1.00 0.00 N ATOM 0 H GLN A 107 -9.260 -2.779 -3.916 1.00 0.00 H new ATOM 0 HA GLN A 107 -10.527 -4.508 -2.033 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -8.014 -4.158 -2.583 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -8.110 -2.742 -1.554 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -7.286 -4.882 -0.452 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -8.566 -4.024 0.383 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -10.122 -5.281 1.185 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -10.662 -6.815 0.494 1.00 0.00 H new ATOM 495 N LYS A 108 -11.910 -2.882 -0.754 1.00 0.00 N ATOM 496 CA LYS A 108 -12.659 -2.024 0.157 1.00 0.00 C ATOM 497 C LYS A 108 -12.009 -1.994 1.537 1.00 0.00 C ATOM 498 O LYS A 108 -12.620 -2.387 2.530 1.00 0.00 O ATOM 499 CB LYS A 108 -14.106 -2.508 0.274 1.00 0.00 C ATOM 500 CG LYS A 108 -14.817 -2.631 -1.063 1.00 0.00 C ATOM 501 CD LYS A 108 -14.927 -4.082 -1.504 1.00 0.00 C ATOM 502 CE LYS A 108 -16.345 -4.605 -1.348 1.00 0.00 C ATOM 503 NZ LYS A 108 -16.684 -4.874 0.077 1.00 0.00 N ATOM 0 H LYS A 108 -12.402 -3.730 -1.035 1.00 0.00 H new ATOM 0 HA LYS A 108 -12.652 -1.013 -0.250 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -14.117 -3.477 0.772 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -14.661 -1.817 0.909 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -15.814 -2.196 -0.988 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -14.276 -2.060 -1.818 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -14.618 -4.171 -2.545 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -14.245 -4.695 -0.915 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -17.047 -3.878 -1.757 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -16.460 -5.521 -1.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -17.659 -5.229 0.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -16.030 -5.586 0.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -16.599 -3.995 0.626 1.00 0.00 H new ATOM 517 N VAL A 109 -10.766 -1.525 1.591 1.00 0.00 N ATOM 518 CA VAL A 109 -10.035 -1.444 2.850 1.00 0.00 C ATOM 519 C VAL A 109 -10.932 -0.934 3.972 1.00 0.00 C ATOM 520 O VAL A 109 -12.035 -0.446 3.725 1.00 0.00 O ATOM 521 CB VAL A 109 -8.807 -0.521 2.729 1.00 0.00 C ATOM 522 CG1 VAL A 109 -7.914 -0.967 1.582 1.00 0.00 C ATOM 523 CG2 VAL A 109 -9.243 0.925 2.543 1.00 0.00 C ATOM 0 H VAL A 109 -10.245 -1.196 0.778 1.00 0.00 H new ATOM 0 HA VAL A 109 -9.698 -2.453 3.087 1.00 0.00 H new ATOM 0 HB VAL A 109 -8.233 -0.588 3.653 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -7.052 -0.303 1.512 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -7.573 -1.987 1.762 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -8.476 -0.931 0.649 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -8.363 1.563 2.459 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -9.841 1.011 1.636 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -9.838 1.239 3.401 1.00 0.00 H new ATOM 533 N ASN A 110 -10.452 -1.048 5.207 1.00 0.00 N ATOM 534 CA ASN A 110 -11.206 -0.599 6.368 1.00 0.00 C ATOM 535 C ASN A 110 -10.313 -0.554 7.602 1.00 0.00 C ATOM 536 O ASN A 110 -9.570 -1.496 7.880 1.00 0.00 O ATOM 537 CB ASN A 110 -12.398 -1.520 6.628 1.00 0.00 C ATOM 538 CG ASN A 110 -13.518 -1.318 5.626 1.00 0.00 C ATOM 539 OD1 ASN A 110 -13.721 -2.136 4.730 1.00 0.00 O ATOM 540 ND2 ASN A 110 -14.253 -0.221 5.774 1.00 0.00 N ATOM 0 H ASN A 110 -9.541 -1.449 5.428 1.00 0.00 H new ATOM 0 HA ASN A 110 -11.575 0.405 6.161 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -12.066 -2.558 6.592 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -12.778 -1.341 7.634 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -15.021 -0.031 5.130 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -14.050 0.431 6.532 1.00 0.00 H new ATOM 547 N VAL A 111 -10.392 0.548 8.333 1.00 0.00 N ATOM 548 CA VAL A 111 -9.596 0.730 9.541 1.00 0.00 C ATOM 549 C VAL A 111 -9.394 -0.593 10.272 1.00 0.00 C ATOM 550 O VAL A 111 -10.328 -1.381 10.418 1.00 0.00 O ATOM 551 CB VAL A 111 -10.252 1.739 10.501 1.00 0.00 C ATOM 552 CG1 VAL A 111 -10.502 3.063 9.797 1.00 0.00 C ATOM 553 CG2 VAL A 111 -11.545 1.174 11.067 1.00 0.00 C ATOM 0 H VAL A 111 -11.002 1.334 8.110 1.00 0.00 H new ATOM 0 HA VAL A 111 -8.628 1.119 9.225 1.00 0.00 H new ATOM 0 HB VAL A 111 -9.568 1.920 11.330 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -10.966 3.763 10.492 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -9.555 3.474 9.447 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -11.165 2.903 8.946 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -11.994 1.901 11.743 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -12.236 0.961 10.252 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -11.332 0.254 11.612 1.00 0.00 H new ATOM 563 N GLY A 112 -8.168 -0.831 10.727 1.00 0.00 N ATOM 564 CA GLY A 112 -7.866 -2.061 11.435 1.00 0.00 C ATOM 565 C GLY A 112 -7.620 -3.222 10.492 1.00 0.00 C ATOM 566 O GLY A 112 -7.623 -4.381 10.909 1.00 0.00 O ATOM 0 H GLY A 112 -7.379 -0.194 10.618 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -6.986 -1.911 12.060 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -8.693 -2.306 12.102 1.00 0.00 H new ATOM 570 N ASP A 113 -7.407 -2.911 9.218 1.00 0.00 N ATOM 571 CA ASP A 113 -7.157 -3.933 8.210 1.00 0.00 C ATOM 572 C ASP A 113 -5.897 -3.613 7.415 1.00 0.00 C ATOM 573 O ASP A 113 -5.892 -2.713 6.575 1.00 0.00 O ATOM 574 CB ASP A 113 -8.354 -4.051 7.266 1.00 0.00 C ATOM 575 CG ASP A 113 -8.569 -5.471 6.779 1.00 0.00 C ATOM 576 OD1 ASP A 113 -9.091 -6.294 7.560 1.00 0.00 O ATOM 577 OD2 ASP A 113 -8.215 -5.760 5.616 1.00 0.00 O ATOM 0 H ASP A 113 -7.403 -1.956 8.859 1.00 0.00 H new ATOM 0 HA ASP A 113 -7.011 -4.885 8.720 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -9.252 -3.706 7.778 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -8.203 -3.395 6.409 1.00 0.00 H new ATOM 582 N THR A 114 -4.827 -4.354 7.689 1.00 0.00 N ATOM 583 CA THR A 114 -3.558 -4.151 7.002 1.00 0.00 C ATOM 584 C THR A 114 -3.781 -3.751 5.547 1.00 0.00 C ATOM 585 O THR A 114 -4.508 -4.421 4.813 1.00 0.00 O ATOM 586 CB THR A 114 -2.709 -5.422 7.070 1.00 0.00 C ATOM 587 OG1 THR A 114 -2.916 -6.097 8.299 1.00 0.00 O ATOM 588 CG2 THR A 114 -1.225 -5.160 6.932 1.00 0.00 C ATOM 0 H THR A 114 -4.815 -5.101 8.383 1.00 0.00 H new ATOM 0 HA THR A 114 -3.029 -3.341 7.503 1.00 0.00 H new ATOM 0 HB THR A 114 -3.032 -6.031 6.226 1.00 0.00 H new ATOM 0 HG1 THR A 114 -2.366 -6.908 8.323 1.00 0.00 H new ATOM 0 HG21 THR A 114 -0.682 -6.103 6.989 1.00 0.00 H new ATOM 0 HG22 THR A 114 -1.027 -4.685 5.971 1.00 0.00 H new ATOM 0 HG23 THR A 114 -0.895 -4.502 7.736 1.00 0.00 H new ATOM 596 N LEU A 115 -3.151 -2.655 5.136 1.00 0.00 N ATOM 597 CA LEU A 115 -3.281 -2.165 3.769 1.00 0.00 C ATOM 598 C LEU A 115 -2.247 -2.816 2.857 1.00 0.00 C ATOM 599 O LEU A 115 -2.536 -3.803 2.180 1.00 0.00 O ATOM 600 CB LEU A 115 -3.124 -0.643 3.734 1.00 0.00 C ATOM 601 CG LEU A 115 -4.321 0.144 4.267 1.00 0.00 C ATOM 602 CD1 LEU A 115 -3.876 1.497 4.799 1.00 0.00 C ATOM 603 CD2 LEU A 115 -5.372 0.316 3.180 1.00 0.00 C ATOM 0 H LEU A 115 -2.545 -2.089 5.731 1.00 0.00 H new ATOM 0 HA LEU A 115 -4.275 -2.429 3.407 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -2.242 -0.371 4.314 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -2.936 -0.336 2.705 1.00 0.00 H new ATOM 0 HG LEU A 115 -4.765 -0.418 5.089 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -4.742 2.043 5.174 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -3.160 1.352 5.608 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -3.407 2.067 3.997 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -6.217 0.878 3.577 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -4.940 0.857 2.338 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -5.713 -0.664 2.845 1.00 0.00 H new ATOM 615 N CYS A 116 -1.041 -2.258 2.844 1.00 0.00 N ATOM 616 CA CYS A 116 0.035 -2.785 2.013 1.00 0.00 C ATOM 617 C CYS A 116 1.342 -2.860 2.797 1.00 0.00 C ATOM 618 O CYS A 116 1.348 -2.760 4.024 1.00 0.00 O ATOM 619 CB CYS A 116 0.221 -1.913 0.771 1.00 0.00 C ATOM 620 SG CYS A 116 0.887 -0.267 1.118 1.00 0.00 S ATOM 0 H CYS A 116 -0.784 -1.442 3.399 1.00 0.00 H new ATOM 0 HA CYS A 116 -0.239 -3.793 1.703 1.00 0.00 H new ATOM 0 HB2 CYS A 116 0.888 -2.425 0.078 1.00 0.00 H new ATOM 0 HB3 CYS A 116 -0.740 -1.806 0.268 1.00 0.00 H new ATOM 0 HG CYS A 116 1.455 0.206 0.048 1.00 0.00 H new ATOM 626 N ILE A 117 2.446 -3.037 2.078 1.00 0.00 N ATOM 627 CA ILE A 117 3.760 -3.126 2.704 1.00 0.00 C ATOM 628 C ILE A 117 4.635 -1.938 2.321 1.00 0.00 C ATOM 629 O ILE A 117 5.012 -1.780 1.159 1.00 0.00 O ATOM 630 CB ILE A 117 4.488 -4.425 2.308 1.00 0.00 C ATOM 631 CG1 ILE A 117 3.479 -5.489 1.870 1.00 0.00 C ATOM 632 CG2 ILE A 117 5.336 -4.933 3.464 1.00 0.00 C ATOM 633 CD1 ILE A 117 4.037 -6.896 1.893 1.00 0.00 C ATOM 0 H ILE A 117 2.457 -3.122 1.062 1.00 0.00 H new ATOM 0 HA ILE A 117 3.593 -3.123 3.781 1.00 0.00 H new ATOM 0 HB ILE A 117 5.148 -4.211 1.468 1.00 0.00 H new ATOM 0 HG12 ILE A 117 2.607 -5.442 2.522 1.00 0.00 H new ATOM 0 HG13 ILE A 117 3.135 -5.259 0.861 1.00 0.00 H new ATOM 0 HG21 ILE A 117 5.843 -5.851 3.167 1.00 0.00 H new ATOM 0 HG22 ILE A 117 6.077 -4.179 3.731 1.00 0.00 H new ATOM 0 HG23 ILE A 117 4.697 -5.133 4.324 1.00 0.00 H new ATOM 0 HD11 ILE A 117 3.268 -7.598 1.571 1.00 0.00 H new ATOM 0 HD12 ILE A 117 4.891 -6.960 1.219 1.00 0.00 H new ATOM 0 HD13 ILE A 117 4.354 -7.145 2.906 1.00 0.00 H new ATOM 645 N VAL A 118 4.958 -1.106 3.305 1.00 0.00 N ATOM 646 CA VAL A 118 5.795 0.063 3.070 1.00 0.00 C ATOM 647 C VAL A 118 7.213 -0.177 3.571 1.00 0.00 C ATOM 648 O VAL A 118 7.737 0.590 4.380 1.00 0.00 O ATOM 649 CB VAL A 118 5.221 1.314 3.761 1.00 0.00 C ATOM 650 CG1 VAL A 118 6.015 2.551 3.371 1.00 0.00 C ATOM 651 CG2 VAL A 118 3.749 1.486 3.417 1.00 0.00 C ATOM 0 H VAL A 118 4.653 -1.220 4.272 1.00 0.00 H new ATOM 0 HA VAL A 118 5.814 0.232 1.993 1.00 0.00 H new ATOM 0 HB VAL A 118 5.305 1.182 4.840 1.00 0.00 H new ATOM 0 HG11 VAL A 118 5.595 3.425 3.869 1.00 0.00 H new ATOM 0 HG12 VAL A 118 7.055 2.426 3.673 1.00 0.00 H new ATOM 0 HG13 VAL A 118 5.965 2.690 2.291 1.00 0.00 H new ATOM 0 HG21 VAL A 118 3.361 2.375 3.914 1.00 0.00 H new ATOM 0 HG22 VAL A 118 3.638 1.596 2.338 1.00 0.00 H new ATOM 0 HG23 VAL A 118 3.192 0.611 3.752 1.00 0.00 H new ATOM 661 N GLU A 119 7.827 -1.252 3.088 1.00 0.00 N ATOM 662 CA GLU A 119 9.185 -1.603 3.485 1.00 0.00 C ATOM 663 C GLU A 119 10.033 -0.355 3.702 1.00 0.00 C ATOM 664 O GLU A 119 10.547 0.234 2.752 1.00 0.00 O ATOM 665 CB GLU A 119 9.834 -2.496 2.425 1.00 0.00 C ATOM 666 CG GLU A 119 9.978 -3.945 2.858 1.00 0.00 C ATOM 667 CD GLU A 119 11.404 -4.302 3.231 1.00 0.00 C ATOM 668 OE1 GLU A 119 12.329 -3.885 2.505 1.00 0.00 O ATOM 669 OE2 GLU A 119 11.594 -4.998 4.251 1.00 0.00 O ATOM 0 H GLU A 119 7.404 -1.896 2.420 1.00 0.00 H new ATOM 0 HA GLU A 119 9.129 -2.148 4.427 1.00 0.00 H new ATOM 0 HB2 GLU A 119 9.238 -2.455 1.513 1.00 0.00 H new ATOM 0 HB3 GLU A 119 10.819 -2.099 2.180 1.00 0.00 H new ATOM 0 HG2 GLU A 119 9.325 -4.132 3.711 1.00 0.00 H new ATOM 0 HG3 GLU A 119 9.643 -4.597 2.051 1.00 0.00 H new ATOM 676 N ALA A 120 10.175 0.041 4.962 1.00 0.00 N ATOM 677 CA ALA A 120 10.962 1.216 5.310 1.00 0.00 C ATOM 678 C ALA A 120 12.140 0.838 6.200 1.00 0.00 C ATOM 679 O ALA A 120 11.959 0.469 7.360 1.00 0.00 O ATOM 680 CB ALA A 120 10.087 2.251 6.000 1.00 0.00 C ATOM 0 H ALA A 120 9.754 -0.436 5.760 1.00 0.00 H new ATOM 0 HA ALA A 120 11.357 1.647 4.390 1.00 0.00 H new ATOM 0 HB1 ALA A 120 10.688 3.124 6.255 1.00 0.00 H new ATOM 0 HB2 ALA A 120 9.280 2.549 5.331 1.00 0.00 H new ATOM 0 HB3 ALA A 120 9.665 1.823 6.910 1.00 0.00 H new ATOM 686 N MET A 121 13.345 0.932 5.648 1.00 0.00 N ATOM 687 CA MET A 121 14.558 0.599 6.387 1.00 0.00 C ATOM 688 C MET A 121 14.871 -0.892 6.275 1.00 0.00 C ATOM 689 O MET A 121 15.591 -1.448 7.104 1.00 0.00 O ATOM 690 CB MET A 121 14.421 1.014 7.859 1.00 0.00 C ATOM 691 CG MET A 121 14.003 -0.112 8.795 1.00 0.00 C ATOM 692 SD MET A 121 15.383 -0.765 9.754 1.00 0.00 S ATOM 693 CE MET A 121 15.562 0.510 10.998 1.00 0.00 C ATOM 0 H MET A 121 13.508 1.237 4.688 1.00 0.00 H new ATOM 0 HA MET A 121 15.388 1.153 5.948 1.00 0.00 H new ATOM 0 HB2 MET A 121 15.374 1.418 8.200 1.00 0.00 H new ATOM 0 HB3 MET A 121 13.690 1.819 7.930 1.00 0.00 H new ATOM 0 HG2 MET A 121 13.233 0.253 9.475 1.00 0.00 H new ATOM 0 HG3 MET A 121 13.557 -0.918 8.212 1.00 0.00 H new ATOM 0 HE1 MET A 121 16.379 0.250 11.670 1.00 0.00 H new ATOM 0 HE2 MET A 121 15.779 1.462 10.514 1.00 0.00 H new ATOM 0 HE3 MET A 121 14.637 0.595 11.568 1.00 0.00 H new ATOM 703 N LYS A 122 14.326 -1.528 5.240 1.00 0.00 N ATOM 704 CA LYS A 122 14.539 -2.953 5.004 1.00 0.00 C ATOM 705 C LYS A 122 13.478 -3.796 5.710 1.00 0.00 C ATOM 706 O LYS A 122 13.502 -5.024 5.638 1.00 0.00 O ATOM 707 CB LYS A 122 15.946 -3.371 5.458 1.00 0.00 C ATOM 708 CG LYS A 122 15.999 -3.968 6.858 1.00 0.00 C ATOM 709 CD LYS A 122 15.736 -5.466 6.835 1.00 0.00 C ATOM 710 CE LYS A 122 16.742 -6.222 7.686 1.00 0.00 C ATOM 711 NZ LYS A 122 16.922 -7.597 7.227 1.00 0.00 N ATOM 0 H LYS A 122 13.730 -1.075 4.548 1.00 0.00 H new ATOM 0 HA LYS A 122 14.451 -3.131 3.932 1.00 0.00 H new ATOM 0 HB2 LYS A 122 16.343 -4.098 4.750 1.00 0.00 H new ATOM 0 HB3 LYS A 122 16.601 -2.500 5.421 1.00 0.00 H new ATOM 0 HG2 LYS A 122 16.977 -3.776 7.300 1.00 0.00 H new ATOM 0 HG3 LYS A 122 15.261 -3.477 7.492 1.00 0.00 H new ATOM 0 HD2 LYS A 122 14.728 -5.665 7.199 1.00 0.00 H new ATOM 0 HD3 LYS A 122 15.782 -5.829 5.808 1.00 0.00 H new ATOM 0 HE2 LYS A 122 17.700 -5.703 7.662 1.00 0.00 H new ATOM 0 HE3 LYS A 122 16.408 -6.227 8.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 17.616 -8.078 7.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 16.013 -8.101 7.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 17.265 -7.593 6.245 1.00 0.00 H new ATOM 722 N MET A 123 12.548 -3.132 6.391 1.00 0.00 N ATOM 723 CA MET A 123 11.484 -3.830 7.104 1.00 0.00 C ATOM 724 C MET A 123 10.111 -3.426 6.576 1.00 0.00 C ATOM 725 O MET A 123 9.828 -2.242 6.394 1.00 0.00 O ATOM 726 CB MET A 123 11.568 -3.544 8.604 1.00 0.00 C ATOM 727 CG MET A 123 12.971 -3.678 9.172 1.00 0.00 C ATOM 728 SD MET A 123 13.001 -4.568 10.741 1.00 0.00 S ATOM 729 CE MET A 123 13.568 -3.281 11.850 1.00 0.00 C ATOM 0 H MET A 123 12.510 -2.115 6.464 1.00 0.00 H new ATOM 0 HA MET A 123 11.617 -4.899 6.936 1.00 0.00 H new ATOM 0 HB2 MET A 123 11.203 -2.534 8.794 1.00 0.00 H new ATOM 0 HB3 MET A 123 10.904 -4.227 9.133 1.00 0.00 H new ATOM 0 HG2 MET A 123 13.603 -4.198 8.452 1.00 0.00 H new ATOM 0 HG3 MET A 123 13.398 -2.685 9.313 1.00 0.00 H new ATOM 0 HE1 MET A 123 13.570 -3.657 12.873 1.00 0.00 H new ATOM 0 HE2 MET A 123 14.578 -2.980 11.572 1.00 0.00 H new ATOM 0 HE3 MET A 123 12.901 -2.421 11.781 1.00 0.00 H new ATOM 739 N MET A 124 9.262 -4.420 6.337 1.00 0.00 N ATOM 740 CA MET A 124 7.916 -4.175 5.833 1.00 0.00 C ATOM 741 C MET A 124 7.087 -3.392 6.844 1.00 0.00 C ATOM 742 O MET A 124 6.755 -3.899 7.916 1.00 0.00 O ATOM 743 CB MET A 124 7.217 -5.498 5.506 1.00 0.00 C ATOM 744 CG MET A 124 7.631 -6.650 6.408 1.00 0.00 C ATOM 745 SD MET A 124 6.346 -7.905 6.565 1.00 0.00 S ATOM 746 CE MET A 124 7.303 -9.401 6.341 1.00 0.00 C ATOM 0 H MET A 124 9.483 -5.405 6.485 1.00 0.00 H new ATOM 0 HA MET A 124 8.004 -3.582 4.923 1.00 0.00 H new ATOM 0 HB2 MET A 124 6.139 -5.357 5.584 1.00 0.00 H new ATOM 0 HB3 MET A 124 7.430 -5.765 4.471 1.00 0.00 H new ATOM 0 HG2 MET A 124 8.536 -7.110 6.011 1.00 0.00 H new ATOM 0 HG3 MET A 124 7.877 -6.262 7.396 1.00 0.00 H new ATOM 0 HE1 MET A 124 6.645 -10.268 6.411 1.00 0.00 H new ATOM 0 HE2 MET A 124 7.779 -9.385 5.360 1.00 0.00 H new ATOM 0 HE3 MET A 124 8.068 -9.463 7.115 1.00 0.00 H new ATOM 756 N ASN A 125 6.751 -2.154 6.494 1.00 0.00 N ATOM 757 CA ASN A 125 5.954 -1.304 7.371 1.00 0.00 C ATOM 758 C ASN A 125 4.465 -1.545 7.146 1.00 0.00 C ATOM 759 O ASN A 125 3.781 -0.731 6.526 1.00 0.00 O ATOM 760 CB ASN A 125 6.287 0.169 7.130 1.00 0.00 C ATOM 761 CG ASN A 125 6.530 0.925 8.422 1.00 0.00 C ATOM 762 OD1 ASN A 125 5.590 1.306 9.119 1.00 0.00 O ATOM 763 ND2 ASN A 125 7.799 1.147 8.747 1.00 0.00 N ATOM 0 H ASN A 125 7.018 -1.718 5.611 1.00 0.00 H new ATOM 0 HA ASN A 125 6.196 -1.557 8.403 1.00 0.00 H new ATOM 0 HB2 ASN A 125 7.173 0.240 6.498 1.00 0.00 H new ATOM 0 HB3 ASN A 125 5.468 0.639 6.585 1.00 0.00 H new ATOM 0 HD21 ASN A 125 8.025 1.651 9.604 1.00 0.00 H new ATOM 0 HD22 ASN A 125 8.547 0.813 8.139 1.00 0.00 H new ATOM 770 N GLN A 126 3.972 -2.671 7.650 1.00 0.00 N ATOM 771 CA GLN A 126 2.564 -3.024 7.503 1.00 0.00 C ATOM 772 C GLN A 126 1.664 -1.855 7.890 1.00 0.00 C ATOM 773 O GLN A 126 1.597 -1.470 9.057 1.00 0.00 O ATOM 774 CB GLN A 126 2.231 -4.246 8.361 1.00 0.00 C ATOM 775 CG GLN A 126 2.819 -4.184 9.761 1.00 0.00 C ATOM 776 CD GLN A 126 3.914 -5.210 9.980 1.00 0.00 C ATOM 777 OE1 GLN A 126 4.989 -4.888 10.487 1.00 0.00 O ATOM 778 NE2 GLN A 126 3.646 -6.452 9.597 1.00 0.00 N ATOM 0 H GLN A 126 4.527 -3.355 8.164 1.00 0.00 H new ATOM 0 HA GLN A 126 2.384 -3.264 6.455 1.00 0.00 H new ATOM 0 HB2 GLN A 126 1.148 -4.344 8.435 1.00 0.00 H new ATOM 0 HB3 GLN A 126 2.599 -5.142 7.861 1.00 0.00 H new ATOM 0 HG2 GLN A 126 3.220 -3.186 9.939 1.00 0.00 H new ATOM 0 HG3 GLN A 126 2.026 -4.343 10.492 1.00 0.00 H new ATOM 0 HE21 GLN A 126 2.741 -6.673 9.181 1.00 0.00 H new ATOM 0 HE22 GLN A 126 4.345 -7.185 9.718 1.00 0.00 H new ATOM 787 N ILE A 127 0.972 -1.296 6.903 1.00 0.00 N ATOM 788 CA ILE A 127 0.074 -0.173 7.141 1.00 0.00 C ATOM 789 C ILE A 127 -1.339 -0.657 7.445 1.00 0.00 C ATOM 790 O ILE A 127 -1.791 -1.666 6.903 1.00 0.00 O ATOM 791 CB ILE A 127 0.029 0.779 5.929 1.00 0.00 C ATOM 792 CG1 ILE A 127 1.447 1.113 5.462 1.00 0.00 C ATOM 793 CG2 ILE A 127 -0.731 2.049 6.280 1.00 0.00 C ATOM 794 CD1 ILE A 127 2.088 2.242 6.238 1.00 0.00 C ATOM 0 H ILE A 127 1.016 -1.602 5.931 1.00 0.00 H new ATOM 0 HA ILE A 127 0.465 0.368 8.003 1.00 0.00 H new ATOM 0 HB ILE A 127 -0.494 0.280 5.114 1.00 0.00 H new ATOM 0 HG12 ILE A 127 2.069 0.223 5.551 1.00 0.00 H new ATOM 0 HG13 ILE A 127 1.420 1.379 4.405 1.00 0.00 H new ATOM 0 HG21 ILE A 127 -0.754 2.711 5.414 1.00 0.00 H new ATOM 0 HG22 ILE A 127 -1.751 1.795 6.569 1.00 0.00 H new ATOM 0 HG23 ILE A 127 -0.234 2.553 7.109 1.00 0.00 H new ATOM 0 HD11 ILE A 127 3.091 2.424 5.853 1.00 0.00 H new ATOM 0 HD12 ILE A 127 1.488 3.145 6.129 1.00 0.00 H new ATOM 0 HD13 ILE A 127 2.147 1.971 7.292 1.00 0.00 H new ATOM 806 N GLU A 128 -2.033 0.067 8.317 1.00 0.00 N ATOM 807 CA GLU A 128 -3.396 -0.292 8.695 1.00 0.00 C ATOM 808 C GLU A 128 -4.362 0.853 8.408 1.00 0.00 C ATOM 809 O GLU A 128 -4.178 1.969 8.895 1.00 0.00 O ATOM 810 CB GLU A 128 -3.454 -0.665 10.177 1.00 0.00 C ATOM 811 CG GLU A 128 -2.758 -1.977 10.501 1.00 0.00 C ATOM 812 CD GLU A 128 -1.749 -1.839 11.625 1.00 0.00 C ATOM 813 OE1 GLU A 128 -0.693 -1.210 11.402 1.00 0.00 O ATOM 814 OE2 GLU A 128 -2.016 -2.360 12.728 1.00 0.00 O ATOM 0 H GLU A 128 -1.675 0.905 8.775 1.00 0.00 H new ATOM 0 HA GLU A 128 -3.697 -1.153 8.098 1.00 0.00 H new ATOM 0 HB2 GLU A 128 -2.998 0.133 10.762 1.00 0.00 H new ATOM 0 HB3 GLU A 128 -4.497 -0.730 10.486 1.00 0.00 H new ATOM 0 HG2 GLU A 128 -3.505 -2.722 10.777 1.00 0.00 H new ATOM 0 HG3 GLU A 128 -2.254 -2.347 9.608 1.00 0.00 H new ATOM 821 N ALA A 129 -5.391 0.568 7.618 1.00 0.00 N ATOM 822 CA ALA A 129 -6.387 1.573 7.269 1.00 0.00 C ATOM 823 C ALA A 129 -6.706 2.468 8.462 1.00 0.00 C ATOM 824 O ALA A 129 -6.758 2.004 9.602 1.00 0.00 O ATOM 825 CB ALA A 129 -7.653 0.904 6.756 1.00 0.00 C ATOM 0 H ALA A 129 -5.557 -0.351 7.207 1.00 0.00 H new ATOM 0 HA ALA A 129 -5.974 2.200 6.479 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -8.389 1.666 6.499 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -7.419 0.312 5.871 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -8.060 0.253 7.530 1.00 0.00 H new ATOM 831 N ASP A 130 -6.918 3.751 8.194 1.00 0.00 N ATOM 832 CA ASP A 130 -7.232 4.711 9.246 1.00 0.00 C ATOM 833 C ASP A 130 -8.575 5.388 8.987 1.00 0.00 C ATOM 834 O ASP A 130 -9.081 6.128 9.831 1.00 0.00 O ATOM 835 CB ASP A 130 -6.128 5.766 9.346 1.00 0.00 C ATOM 836 CG ASP A 130 -5.352 5.669 10.646 1.00 0.00 C ATOM 837 OD1 ASP A 130 -5.670 4.780 11.462 1.00 0.00 O ATOM 838 OD2 ASP A 130 -4.425 6.482 10.846 1.00 0.00 O ATOM 0 H ASP A 130 -6.878 4.151 7.257 1.00 0.00 H new ATOM 0 HA ASP A 130 -7.297 4.169 10.189 1.00 0.00 H new ATOM 0 HB2 ASP A 130 -5.442 5.651 8.507 1.00 0.00 H new ATOM 0 HB3 ASP A 130 -6.569 6.759 9.263 1.00 0.00 H new ATOM 843 N LYS A 131 -9.148 5.130 7.815 1.00 0.00 N ATOM 844 CA LYS A 131 -10.432 5.715 7.447 1.00 0.00 C ATOM 845 C LYS A 131 -11.089 4.916 6.327 1.00 0.00 C ATOM 846 O LYS A 131 -11.916 5.439 5.580 1.00 0.00 O ATOM 847 CB LYS A 131 -10.247 7.167 7.008 1.00 0.00 C ATOM 848 CG LYS A 131 -9.552 7.311 5.663 1.00 0.00 C ATOM 849 CD LYS A 131 -10.296 8.272 4.749 1.00 0.00 C ATOM 850 CE LYS A 131 -11.508 7.612 4.112 1.00 0.00 C ATOM 851 NZ LYS A 131 -12.711 7.695 4.984 1.00 0.00 N ATOM 0 H LYS A 131 -8.743 4.520 7.105 1.00 0.00 H new ATOM 0 HA LYS A 131 -11.081 5.687 8.322 1.00 0.00 H new ATOM 0 HB2 LYS A 131 -11.223 7.650 6.957 1.00 0.00 H new ATOM 0 HB3 LYS A 131 -9.669 7.696 7.765 1.00 0.00 H new ATOM 0 HG2 LYS A 131 -8.533 7.668 5.815 1.00 0.00 H new ATOM 0 HG3 LYS A 131 -9.479 6.335 5.184 1.00 0.00 H new ATOM 0 HD2 LYS A 131 -10.614 9.145 5.319 1.00 0.00 H new ATOM 0 HD3 LYS A 131 -9.623 8.628 3.969 1.00 0.00 H new ATOM 0 HE2 LYS A 131 -11.720 8.090 3.155 1.00 0.00 H new ATOM 0 HE3 LYS A 131 -11.283 6.566 3.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 -13.568 7.672 4.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 -12.720 6.888 5.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 -12.686 8.582 5.526 1.00 0.00 H new ATOM 865 N SER A 132 -10.714 3.647 6.214 1.00 0.00 N ATOM 866 CA SER A 132 -11.265 2.777 5.181 1.00 0.00 C ATOM 867 C SER A 132 -11.100 3.408 3.803 1.00 0.00 C ATOM 868 O SER A 132 -10.507 4.477 3.666 1.00 0.00 O ATOM 869 CB SER A 132 -12.743 2.496 5.454 1.00 0.00 C ATOM 870 OG SER A 132 -13.575 3.388 4.733 1.00 0.00 O ATOM 0 H SER A 132 -10.031 3.198 6.824 1.00 0.00 H new ATOM 0 HA SER A 132 -10.717 1.835 5.201 1.00 0.00 H new ATOM 0 HB2 SER A 132 -12.978 1.469 5.175 1.00 0.00 H new ATOM 0 HB3 SER A 132 -12.943 2.590 6.521 1.00 0.00 H new ATOM 0 HG SER A 132 -13.295 4.311 4.908 1.00 0.00 H new ATOM 876 N GLY A 133 -11.628 2.740 2.784 1.00 0.00 N ATOM 877 CA GLY A 133 -11.527 3.254 1.432 1.00 0.00 C ATOM 878 C GLY A 133 -11.497 2.153 0.392 1.00 0.00 C ATOM 879 O GLY A 133 -11.321 0.980 0.721 1.00 0.00 O ATOM 0 H GLY A 133 -12.124 1.853 2.870 1.00 0.00 H new ATOM 0 HA2 GLY A 133 -12.372 3.913 1.234 1.00 0.00 H new ATOM 0 HA3 GLY A 133 -10.624 3.858 1.343 1.00 0.00 H new ATOM 883 N THR A 134 -11.673 2.533 -0.869 1.00 0.00 N ATOM 884 CA THR A 134 -11.669 1.576 -1.968 1.00 0.00 C ATOM 885 C THR A 134 -10.512 1.841 -2.925 1.00 0.00 C ATOM 886 O THR A 134 -10.508 2.840 -3.643 1.00 0.00 O ATOM 887 CB THR A 134 -12.988 1.650 -2.733 1.00 0.00 C ATOM 888 OG1 THR A 134 -14.090 1.598 -1.844 1.00 0.00 O ATOM 889 CG2 THR A 134 -13.158 0.535 -3.742 1.00 0.00 C ATOM 0 H THR A 134 -11.821 3.501 -1.155 1.00 0.00 H new ATOM 0 HA THR A 134 -11.547 0.580 -1.543 1.00 0.00 H new ATOM 0 HB THR A 134 -12.958 2.600 -3.267 1.00 0.00 H new ATOM 0 HG1 THR A 134 -14.925 1.649 -2.355 1.00 0.00 H new ATOM 0 HG21 THR A 134 -14.116 0.647 -4.250 1.00 0.00 H new ATOM 0 HG22 THR A 134 -12.351 0.580 -4.474 1.00 0.00 H new ATOM 0 HG23 THR A 134 -13.129 -0.427 -3.230 1.00 0.00 H new ATOM 897 N VAL A 135 -9.536 0.940 -2.942 1.00 0.00 N ATOM 898 CA VAL A 135 -8.387 1.089 -3.827 1.00 0.00 C ATOM 899 C VAL A 135 -8.843 1.438 -5.238 1.00 0.00 C ATOM 900 O VAL A 135 -9.872 0.949 -5.704 1.00 0.00 O ATOM 901 CB VAL A 135 -7.538 -0.196 -3.875 1.00 0.00 C ATOM 902 CG1 VAL A 135 -6.374 -0.027 -4.838 1.00 0.00 C ATOM 903 CG2 VAL A 135 -7.041 -0.562 -2.484 1.00 0.00 C ATOM 0 H VAL A 135 -9.517 0.104 -2.357 1.00 0.00 H new ATOM 0 HA VAL A 135 -7.774 1.897 -3.427 1.00 0.00 H new ATOM 0 HB VAL A 135 -8.165 -1.012 -4.236 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -5.784 -0.943 -4.860 1.00 0.00 H new ATOM 0 HG12 VAL A 135 -6.756 0.183 -5.837 1.00 0.00 H new ATOM 0 HG13 VAL A 135 -5.746 0.801 -4.508 1.00 0.00 H new ATOM 0 HG21 VAL A 135 -6.444 -1.472 -2.539 1.00 0.00 H new ATOM 0 HG22 VAL A 135 -6.430 0.250 -2.091 1.00 0.00 H new ATOM 0 HG23 VAL A 135 -7.893 -0.727 -1.825 1.00 0.00 H new ATOM 913 N LYS A 136 -8.084 2.293 -5.914 1.00 0.00 N ATOM 914 CA LYS A 136 -8.430 2.708 -7.265 1.00 0.00 C ATOM 915 C LYS A 136 -7.285 2.448 -8.238 1.00 0.00 C ATOM 916 O LYS A 136 -7.490 2.404 -9.451 1.00 0.00 O ATOM 917 CB LYS A 136 -8.802 4.189 -7.276 1.00 0.00 C ATOM 918 CG LYS A 136 -10.007 4.511 -6.412 1.00 0.00 C ATOM 919 CD LYS A 136 -11.309 4.185 -7.128 1.00 0.00 C ATOM 920 CE LYS A 136 -11.631 5.217 -8.197 1.00 0.00 C ATOM 921 NZ LYS A 136 -10.909 6.499 -7.966 1.00 0.00 N ATOM 0 H LYS A 136 -7.228 2.710 -5.549 1.00 0.00 H new ATOM 0 HA LYS A 136 -9.286 2.117 -7.590 1.00 0.00 H new ATOM 0 HB2 LYS A 136 -7.949 4.773 -6.931 1.00 0.00 H new ATOM 0 HB3 LYS A 136 -9.006 4.498 -8.301 1.00 0.00 H new ATOM 0 HG2 LYS A 136 -9.951 3.946 -5.482 1.00 0.00 H new ATOM 0 HG3 LYS A 136 -9.992 5.568 -6.144 1.00 0.00 H new ATOM 0 HD2 LYS A 136 -11.237 3.198 -7.584 1.00 0.00 H new ATOM 0 HD3 LYS A 136 -12.123 4.143 -6.404 1.00 0.00 H new ATOM 0 HE2 LYS A 136 -11.363 4.821 -9.177 1.00 0.00 H new ATOM 0 HE3 LYS A 136 -12.705 5.402 -8.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 -11.232 7.208 -8.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 -11.104 6.839 -7.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 -9.886 6.347 -8.079 1.00 0.00 H new ATOM 935 N ALA A 137 -6.080 2.284 -7.705 1.00 0.00 N ATOM 936 CA ALA A 137 -4.913 2.037 -8.541 1.00 0.00 C ATOM 937 C ALA A 137 -3.621 2.194 -7.750 1.00 0.00 C ATOM 938 O ALA A 137 -3.582 2.893 -6.738 1.00 0.00 O ATOM 939 CB ALA A 137 -4.925 2.981 -9.728 1.00 0.00 C ATOM 0 H ALA A 137 -5.887 2.317 -6.704 1.00 0.00 H new ATOM 0 HA ALA A 137 -4.958 1.008 -8.898 1.00 0.00 H new ATOM 0 HB1 ALA A 137 -4.051 2.793 -10.351 1.00 0.00 H new ATOM 0 HB2 ALA A 137 -5.830 2.818 -10.314 1.00 0.00 H new ATOM 0 HB3 ALA A 137 -4.903 4.012 -9.374 1.00 0.00 H new ATOM 945 N ILE A 138 -2.562 1.541 -8.220 1.00 0.00 N ATOM 946 CA ILE A 138 -1.268 1.611 -7.559 1.00 0.00 C ATOM 947 C ILE A 138 -0.293 2.467 -8.359 1.00 0.00 C ATOM 948 O ILE A 138 0.518 1.945 -9.124 1.00 0.00 O ATOM 949 CB ILE A 138 -0.656 0.209 -7.355 1.00 0.00 C ATOM 950 CG1 ILE A 138 -1.690 -0.883 -7.644 1.00 0.00 C ATOM 951 CG2 ILE A 138 -0.120 0.071 -5.941 1.00 0.00 C ATOM 952 CD1 ILE A 138 -2.973 -0.722 -6.858 1.00 0.00 C ATOM 0 H ILE A 138 -2.577 0.958 -9.057 1.00 0.00 H new ATOM 0 HA ILE A 138 -1.437 2.066 -6.583 1.00 0.00 H new ATOM 0 HB ILE A 138 0.170 0.089 -8.056 1.00 0.00 H new ATOM 0 HG12 ILE A 138 -1.923 -0.879 -8.709 1.00 0.00 H new ATOM 0 HG13 ILE A 138 -1.253 -1.855 -7.416 1.00 0.00 H new ATOM 0 HG21 ILE A 138 0.309 -0.922 -5.810 1.00 0.00 H new ATOM 0 HG22 ILE A 138 0.649 0.824 -5.768 1.00 0.00 H new ATOM 0 HG23 ILE A 138 -0.933 0.212 -5.228 1.00 0.00 H new ATOM 0 HD11 ILE A 138 -3.659 -1.530 -7.112 1.00 0.00 H new ATOM 0 HD12 ILE A 138 -2.753 -0.756 -5.791 1.00 0.00 H new ATOM 0 HD13 ILE A 138 -3.432 0.235 -7.104 1.00 0.00 H new ATOM 964 N LEU A 139 -0.371 3.784 -8.179 1.00 0.00 N ATOM 965 CA LEU A 139 0.516 4.698 -8.891 1.00 0.00 C ATOM 966 C LEU A 139 1.925 4.129 -8.930 1.00 0.00 C ATOM 967 O LEU A 139 2.653 4.298 -9.907 1.00 0.00 O ATOM 968 CB LEU A 139 0.531 6.073 -8.219 1.00 0.00 C ATOM 969 CG LEU A 139 -0.837 6.612 -7.809 1.00 0.00 C ATOM 970 CD1 LEU A 139 -0.767 8.109 -7.553 1.00 0.00 C ATOM 971 CD2 LEU A 139 -1.874 6.299 -8.879 1.00 0.00 C ATOM 0 H LEU A 139 -1.034 4.238 -7.551 1.00 0.00 H new ATOM 0 HA LEU A 139 0.145 4.814 -9.909 1.00 0.00 H new ATOM 0 HB2 LEU A 139 1.163 6.019 -7.333 1.00 0.00 H new ATOM 0 HB3 LEU A 139 0.996 6.787 -8.899 1.00 0.00 H new ATOM 0 HG LEU A 139 -1.138 6.121 -6.884 1.00 0.00 H new ATOM 0 HD11 LEU A 139 -1.752 8.475 -7.262 1.00 0.00 H new ATOM 0 HD12 LEU A 139 -0.055 8.308 -6.752 1.00 0.00 H new ATOM 0 HD13 LEU A 139 -0.444 8.619 -8.461 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -2.844 6.690 -8.571 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -1.578 6.763 -9.820 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -1.944 5.220 -9.013 1.00 0.00 H new ATOM 983 N VAL A 140 2.295 3.447 -7.855 1.00 0.00 N ATOM 984 CA VAL A 140 3.609 2.837 -7.748 1.00 0.00 C ATOM 985 C VAL A 140 3.576 1.399 -8.242 1.00 0.00 C ATOM 986 O VAL A 140 2.653 0.646 -7.930 1.00 0.00 O ATOM 987 CB VAL A 140 4.116 2.854 -6.297 1.00 0.00 C ATOM 988 CG1 VAL A 140 5.381 2.021 -6.161 1.00 0.00 C ATOM 989 CG2 VAL A 140 4.353 4.282 -5.830 1.00 0.00 C ATOM 0 H VAL A 140 1.698 3.303 -7.041 1.00 0.00 H new ATOM 0 HA VAL A 140 4.288 3.422 -8.369 1.00 0.00 H new ATOM 0 HB VAL A 140 3.350 2.412 -5.660 1.00 0.00 H new ATOM 0 HG11 VAL A 140 5.724 2.046 -5.127 1.00 0.00 H new ATOM 0 HG12 VAL A 140 5.171 0.991 -6.449 1.00 0.00 H new ATOM 0 HG13 VAL A 140 6.156 2.428 -6.810 1.00 0.00 H new ATOM 0 HG21 VAL A 140 4.712 4.273 -4.801 1.00 0.00 H new ATOM 0 HG22 VAL A 140 5.098 4.755 -6.470 1.00 0.00 H new ATOM 0 HG23 VAL A 140 3.420 4.842 -5.884 1.00 0.00 H new ATOM 999 N GLU A 141 4.588 1.021 -9.008 1.00 0.00 N ATOM 1000 CA GLU A 141 4.671 -0.332 -9.539 1.00 0.00 C ATOM 1001 C GLU A 141 4.967 -1.323 -8.424 1.00 0.00 C ATOM 1002 O GLU A 141 6.112 -1.463 -7.994 1.00 0.00 O ATOM 1003 CB GLU A 141 5.754 -0.417 -10.616 1.00 0.00 C ATOM 1004 CG GLU A 141 5.226 -0.213 -12.026 1.00 0.00 C ATOM 1005 CD GLU A 141 6.043 -0.953 -13.067 1.00 0.00 C ATOM 1006 OE1 GLU A 141 6.788 -1.881 -12.687 1.00 0.00 O ATOM 1007 OE2 GLU A 141 5.937 -0.606 -14.262 1.00 0.00 O ATOM 0 H GLU A 141 5.361 1.630 -9.276 1.00 0.00 H new ATOM 0 HA GLU A 141 3.710 -0.585 -9.987 1.00 0.00 H new ATOM 0 HB2 GLU A 141 6.518 0.333 -10.411 1.00 0.00 H new ATOM 0 HB3 GLU A 141 6.239 -1.391 -10.556 1.00 0.00 H new ATOM 0 HG2 GLU A 141 4.191 -0.551 -12.075 1.00 0.00 H new ATOM 0 HG3 GLU A 141 5.225 0.852 -12.259 1.00 0.00 H new ATOM 1014 N SER A 142 3.928 -2.005 -7.953 1.00 0.00 N ATOM 1015 CA SER A 142 4.083 -2.977 -6.882 1.00 0.00 C ATOM 1016 C SER A 142 5.409 -3.718 -7.015 1.00 0.00 C ATOM 1017 O SER A 142 5.896 -3.943 -8.123 1.00 0.00 O ATOM 1018 CB SER A 142 2.928 -3.976 -6.888 1.00 0.00 C ATOM 1019 OG SER A 142 2.634 -4.412 -8.205 1.00 0.00 O ATOM 0 H SER A 142 2.973 -1.902 -8.296 1.00 0.00 H new ATOM 0 HA SER A 142 4.075 -2.437 -5.935 1.00 0.00 H new ATOM 0 HB2 SER A 142 3.183 -4.834 -6.266 1.00 0.00 H new ATOM 0 HB3 SER A 142 2.043 -3.516 -6.448 1.00 0.00 H new ATOM 0 HG SER A 142 2.901 -5.349 -8.307 1.00 0.00 H new ATOM 1025 N GLY A 143 5.989 -4.096 -5.884 1.00 0.00 N ATOM 1026 CA GLY A 143 7.255 -4.806 -5.905 1.00 0.00 C ATOM 1027 C GLY A 143 8.415 -3.910 -6.293 1.00 0.00 C ATOM 1028 O GLY A 143 9.347 -4.350 -6.966 1.00 0.00 O ATOM 0 H GLY A 143 5.608 -3.925 -4.954 1.00 0.00 H new ATOM 0 HA2 GLY A 143 7.444 -5.235 -4.921 1.00 0.00 H new ATOM 0 HA3 GLY A 143 7.191 -5.637 -6.608 1.00 0.00 H new ATOM 1032 N GLN A 144 8.358 -2.650 -5.870 1.00 0.00 N ATOM 1033 CA GLN A 144 9.414 -1.694 -6.182 1.00 0.00 C ATOM 1034 C GLN A 144 9.563 -0.658 -5.072 1.00 0.00 C ATOM 1035 O GLN A 144 8.611 -0.367 -4.347 1.00 0.00 O ATOM 1036 CB GLN A 144 9.123 -0.996 -7.512 1.00 0.00 C ATOM 1037 CG GLN A 144 8.224 0.221 -7.378 1.00 0.00 C ATOM 1038 CD GLN A 144 8.975 1.525 -7.573 1.00 0.00 C ATOM 1039 OE1 GLN A 144 10.199 1.573 -7.451 1.00 0.00 O ATOM 1040 NE2 GLN A 144 8.242 2.590 -7.877 1.00 0.00 N ATOM 0 H GLN A 144 7.594 -2.269 -5.312 1.00 0.00 H new ATOM 0 HA GLN A 144 10.351 -2.244 -6.265 1.00 0.00 H new ATOM 0 HB2 GLN A 144 10.066 -0.692 -7.967 1.00 0.00 H new ATOM 0 HB3 GLN A 144 8.656 -1.709 -8.192 1.00 0.00 H new ATOM 0 HG2 GLN A 144 7.419 0.156 -8.110 1.00 0.00 H new ATOM 0 HG3 GLN A 144 7.759 0.218 -6.392 1.00 0.00 H new ATOM 0 HE21 GLN A 144 7.230 2.503 -7.968 1.00 0.00 H new ATOM 0 HE22 GLN A 144 8.691 3.495 -8.020 1.00 0.00 H new ATOM 1049 N PRO A 145 10.768 -0.085 -4.928 1.00 0.00 N ATOM 1050 CA PRO A 145 11.053 0.925 -3.905 1.00 0.00 C ATOM 1051 C PRO A 145 10.368 2.256 -4.200 1.00 0.00 C ATOM 1052 O PRO A 145 9.918 2.499 -5.320 1.00 0.00 O ATOM 1053 CB PRO A 145 12.573 1.081 -3.974 1.00 0.00 C ATOM 1054 CG PRO A 145 12.926 0.695 -5.369 1.00 0.00 C ATOM 1055 CD PRO A 145 11.949 -0.380 -5.759 1.00 0.00 C ATOM 0 HA PRO A 145 10.686 0.626 -2.923 1.00 0.00 H new ATOM 0 HB2 PRO A 145 12.877 2.105 -3.757 1.00 0.00 H new ATOM 0 HB3 PRO A 145 13.071 0.440 -3.247 1.00 0.00 H new ATOM 0 HG2 PRO A 145 12.854 1.550 -6.041 1.00 0.00 H new ATOM 0 HG3 PRO A 145 13.952 0.330 -5.426 1.00 0.00 H new ATOM 0 HD2 PRO A 145 11.712 -0.341 -6.822 1.00 0.00 H new ATOM 0 HD3 PRO A 145 12.345 -1.375 -5.557 1.00 0.00 H new ATOM 1063 N VAL A 146 10.295 3.115 -3.189 1.00 0.00 N ATOM 1064 CA VAL A 146 9.666 4.421 -3.342 1.00 0.00 C ATOM 1065 C VAL A 146 10.394 5.483 -2.524 1.00 0.00 C ATOM 1066 O VAL A 146 11.388 5.194 -1.859 1.00 0.00 O ATOM 1067 CB VAL A 146 8.186 4.385 -2.915 1.00 0.00 C ATOM 1068 CG1 VAL A 146 7.387 3.481 -3.839 1.00 0.00 C ATOM 1069 CG2 VAL A 146 8.060 3.928 -1.469 1.00 0.00 C ATOM 0 H VAL A 146 10.663 2.930 -2.256 1.00 0.00 H new ATOM 0 HA VAL A 146 9.726 4.678 -4.400 1.00 0.00 H new ATOM 0 HB VAL A 146 7.779 5.393 -2.990 1.00 0.00 H new ATOM 0 HG11 VAL A 146 6.344 3.468 -3.522 1.00 0.00 H new ATOM 0 HG12 VAL A 146 7.451 3.856 -4.860 1.00 0.00 H new ATOM 0 HG13 VAL A 146 7.792 2.470 -3.798 1.00 0.00 H new ATOM 0 HG21 VAL A 146 7.008 3.908 -1.184 1.00 0.00 H new ATOM 0 HG22 VAL A 146 8.483 2.929 -1.365 1.00 0.00 H new ATOM 0 HG23 VAL A 146 8.599 4.619 -0.821 1.00 0.00 H new ATOM 1079 N GLU A 147 9.894 6.714 -2.581 1.00 0.00 N ATOM 1080 CA GLU A 147 10.499 7.819 -1.848 1.00 0.00 C ATOM 1081 C GLU A 147 9.433 8.692 -1.194 1.00 0.00 C ATOM 1082 O GLU A 147 8.266 8.664 -1.586 1.00 0.00 O ATOM 1083 CB GLU A 147 11.365 8.667 -2.783 1.00 0.00 C ATOM 1084 CG GLU A 147 11.075 8.436 -4.257 1.00 0.00 C ATOM 1085 CD GLU A 147 12.065 9.142 -5.163 1.00 0.00 C ATOM 1086 OE1 GLU A 147 13.198 9.409 -4.712 1.00 0.00 O ATOM 1087 OE2 GLU A 147 11.704 9.430 -6.324 1.00 0.00 O ATOM 0 H GLU A 147 9.072 6.970 -3.127 1.00 0.00 H new ATOM 0 HA GLU A 147 11.127 7.397 -1.063 1.00 0.00 H new ATOM 0 HB2 GLU A 147 11.210 9.721 -2.552 1.00 0.00 H new ATOM 0 HB3 GLU A 147 12.415 8.449 -2.589 1.00 0.00 H new ATOM 0 HG2 GLU A 147 11.097 7.366 -4.465 1.00 0.00 H new ATOM 0 HG3 GLU A 147 10.067 8.784 -4.484 1.00 0.00 H new ATOM 1094 N PHE A 148 9.843 9.467 -0.196 1.00 0.00 N ATOM 1095 CA PHE A 148 8.927 10.352 0.516 1.00 0.00 C ATOM 1096 C PHE A 148 8.022 11.098 -0.462 1.00 0.00 C ATOM 1097 O PHE A 148 8.500 11.810 -1.345 1.00 0.00 O ATOM 1098 CB PHE A 148 9.716 11.350 1.365 1.00 0.00 C ATOM 1099 CG PHE A 148 8.877 12.084 2.373 1.00 0.00 C ATOM 1100 CD1 PHE A 148 7.557 11.713 2.601 1.00 0.00 C ATOM 1101 CD2 PHE A 148 9.408 13.149 3.092 1.00 0.00 C ATOM 1102 CE1 PHE A 148 6.781 12.390 3.530 1.00 0.00 C ATOM 1103 CE2 PHE A 148 8.637 13.830 4.022 1.00 0.00 C ATOM 1104 CZ PHE A 148 7.323 13.450 4.240 1.00 0.00 C ATOM 0 H PHE A 148 10.806 9.501 0.139 1.00 0.00 H new ATOM 0 HA PHE A 148 8.300 9.744 1.168 1.00 0.00 H new ATOM 0 HB2 PHE A 148 10.513 10.819 1.886 1.00 0.00 H new ATOM 0 HB3 PHE A 148 10.194 12.075 0.706 1.00 0.00 H new ATOM 0 HD1 PHE A 148 7.131 10.888 2.049 1.00 0.00 H new ATOM 0 HD2 PHE A 148 10.432 13.449 2.924 1.00 0.00 H new ATOM 0 HE1 PHE A 148 5.757 12.092 3.700 1.00 0.00 H new ATOM 0 HE2 PHE A 148 9.060 14.655 4.575 1.00 0.00 H new ATOM 0 HZ PHE A 148 6.721 13.980 4.963 1.00 0.00 H new ATOM 1114 N ASP A 149 6.713 10.928 -0.299 1.00 0.00 N ATOM 1115 CA ASP A 149 5.743 11.583 -1.170 1.00 0.00 C ATOM 1116 C ASP A 149 5.636 10.854 -2.502 1.00 0.00 C ATOM 1117 O ASP A 149 5.438 11.472 -3.547 1.00 0.00 O ATOM 1118 CB ASP A 149 6.136 13.044 -1.402 1.00 0.00 C ATOM 1119 CG ASP A 149 4.933 13.965 -1.450 1.00 0.00 C ATOM 1120 OD1 ASP A 149 3.825 13.478 -1.760 1.00 0.00 O ATOM 1121 OD2 ASP A 149 5.099 15.173 -1.179 1.00 0.00 O ATOM 0 H ASP A 149 6.300 10.343 0.427 1.00 0.00 H new ATOM 0 HA ASP A 149 4.770 11.553 -0.679 1.00 0.00 H new ATOM 0 HB2 ASP A 149 6.807 13.368 -0.606 1.00 0.00 H new ATOM 0 HB3 ASP A 149 6.689 13.124 -2.338 1.00 0.00 H new ATOM 1126 N GLU A 150 5.769 9.535 -2.454 1.00 0.00 N ATOM 1127 CA GLU A 150 5.686 8.717 -3.655 1.00 0.00 C ATOM 1128 C GLU A 150 4.379 7.933 -3.691 1.00 0.00 C ATOM 1129 O GLU A 150 4.364 6.722 -3.472 1.00 0.00 O ATOM 1130 CB GLU A 150 6.874 7.755 -3.725 1.00 0.00 C ATOM 1131 CG GLU A 150 6.942 6.966 -5.023 1.00 0.00 C ATOM 1132 CD GLU A 150 7.315 7.831 -6.211 1.00 0.00 C ATOM 1133 OE1 GLU A 150 6.845 8.987 -6.276 1.00 0.00 O ATOM 1134 OE2 GLU A 150 8.079 7.353 -7.076 1.00 0.00 O ATOM 0 H GLU A 150 5.935 9.009 -1.596 1.00 0.00 H new ATOM 0 HA GLU A 150 5.713 9.381 -4.519 1.00 0.00 H new ATOM 0 HB2 GLU A 150 7.797 8.322 -3.605 1.00 0.00 H new ATOM 0 HB3 GLU A 150 6.817 7.058 -2.889 1.00 0.00 H new ATOM 0 HG2 GLU A 150 7.672 6.164 -4.919 1.00 0.00 H new ATOM 0 HG3 GLU A 150 5.976 6.496 -5.209 1.00 0.00 H new ATOM 1141 N PRO A 151 3.262 8.620 -3.977 1.00 0.00 N ATOM 1142 CA PRO A 151 1.948 7.994 -4.053 1.00 0.00 C ATOM 1143 C PRO A 151 2.024 6.578 -4.611 1.00 0.00 C ATOM 1144 O PRO A 151 2.481 6.368 -5.735 1.00 0.00 O ATOM 1145 CB PRO A 151 1.202 8.920 -5.006 1.00 0.00 C ATOM 1146 CG PRO A 151 1.773 10.275 -4.733 1.00 0.00 C ATOM 1147 CD PRO A 151 3.195 10.064 -4.259 1.00 0.00 C ATOM 0 HA PRO A 151 1.470 7.882 -3.080 1.00 0.00 H new ATOM 0 HB2 PRO A 151 1.354 8.627 -6.045 1.00 0.00 H new ATOM 0 HB3 PRO A 151 0.128 8.897 -4.822 1.00 0.00 H new ATOM 0 HG2 PRO A 151 1.753 10.891 -5.632 1.00 0.00 H new ATOM 0 HG3 PRO A 151 1.187 10.796 -3.976 1.00 0.00 H new ATOM 0 HD2 PRO A 151 3.918 10.357 -5.021 1.00 0.00 H new ATOM 0 HD3 PRO A 151 3.412 10.656 -3.370 1.00 0.00 H new ATOM 1155 N LEU A 152 1.591 5.606 -3.816 1.00 0.00 N ATOM 1156 CA LEU A 152 1.630 4.210 -4.231 1.00 0.00 C ATOM 1157 C LEU A 152 0.230 3.614 -4.342 1.00 0.00 C ATOM 1158 O LEU A 152 -0.248 3.331 -5.439 1.00 0.00 O ATOM 1159 CB LEU A 152 2.463 3.380 -3.248 1.00 0.00 C ATOM 1160 CG LEU A 152 3.408 4.174 -2.342 1.00 0.00 C ATOM 1161 CD1 LEU A 152 3.150 3.841 -0.881 1.00 0.00 C ATOM 1162 CD2 LEU A 152 4.856 3.887 -2.707 1.00 0.00 C ATOM 0 H LEU A 152 1.210 5.759 -2.882 1.00 0.00 H new ATOM 0 HA LEU A 152 2.093 4.180 -5.217 1.00 0.00 H new ATOM 0 HB2 LEU A 152 1.783 2.806 -2.618 1.00 0.00 H new ATOM 0 HB3 LEU A 152 3.053 2.662 -3.817 1.00 0.00 H new ATOM 0 HG LEU A 152 3.218 5.237 -2.490 1.00 0.00 H new ATOM 0 HD11 LEU A 152 3.831 4.414 -0.251 1.00 0.00 H new ATOM 0 HD12 LEU A 152 2.121 4.094 -0.627 1.00 0.00 H new ATOM 0 HD13 LEU A 152 3.314 2.776 -0.716 1.00 0.00 H new ATOM 0 HD21 LEU A 152 5.516 4.459 -2.054 1.00 0.00 H new ATOM 0 HD22 LEU A 152 5.058 2.823 -2.585 1.00 0.00 H new ATOM 0 HD23 LEU A 152 5.034 4.174 -3.744 1.00 0.00 H new ATOM 1174 N VAL A 153 -0.414 3.411 -3.195 1.00 0.00 N ATOM 1175 CA VAL A 153 -1.747 2.832 -3.152 1.00 0.00 C ATOM 1176 C VAL A 153 -2.830 3.903 -3.148 1.00 0.00 C ATOM 1177 O VAL A 153 -3.015 4.619 -2.162 1.00 0.00 O ATOM 1178 CB VAL A 153 -1.919 1.931 -1.911 1.00 0.00 C ATOM 1179 CG1 VAL A 153 -1.288 2.583 -0.691 1.00 0.00 C ATOM 1180 CG2 VAL A 153 -3.389 1.621 -1.661 1.00 0.00 C ATOM 0 H VAL A 153 -0.028 3.642 -2.280 1.00 0.00 H new ATOM 0 HA VAL A 153 -1.857 2.231 -4.055 1.00 0.00 H new ATOM 0 HB VAL A 153 -1.407 0.987 -2.100 1.00 0.00 H new ATOM 0 HG11 VAL A 153 -1.418 1.935 0.176 1.00 0.00 H new ATOM 0 HG12 VAL A 153 -0.224 2.739 -0.871 1.00 0.00 H new ATOM 0 HG13 VAL A 153 -1.769 3.543 -0.502 1.00 0.00 H new ATOM 0 HG21 VAL A 153 -3.482 0.985 -0.781 1.00 0.00 H new ATOM 0 HG22 VAL A 153 -3.934 2.550 -1.496 1.00 0.00 H new ATOM 0 HG23 VAL A 153 -3.805 1.106 -2.527 1.00 0.00 H new ATOM 1190 N VAL A 154 -3.548 3.991 -4.257 1.00 0.00 N ATOM 1191 CA VAL A 154 -4.633 4.957 -4.401 1.00 0.00 C ATOM 1192 C VAL A 154 -5.963 4.337 -3.987 1.00 0.00 C ATOM 1193 O VAL A 154 -6.292 3.224 -4.397 1.00 0.00 O ATOM 1194 CB VAL A 154 -4.756 5.460 -5.850 1.00 0.00 C ATOM 1195 CG1 VAL A 154 -5.605 6.719 -5.910 1.00 0.00 C ATOM 1196 CG2 VAL A 154 -3.382 5.708 -6.447 1.00 0.00 C ATOM 0 H VAL A 154 -3.400 3.402 -5.077 1.00 0.00 H new ATOM 0 HA VAL A 154 -4.395 5.800 -3.752 1.00 0.00 H new ATOM 0 HB VAL A 154 -5.250 4.689 -6.441 1.00 0.00 H new ATOM 0 HG11 VAL A 154 -5.680 7.059 -6.943 1.00 0.00 H new ATOM 0 HG12 VAL A 154 -6.602 6.504 -5.526 1.00 0.00 H new ATOM 0 HG13 VAL A 154 -5.143 7.499 -5.304 1.00 0.00 H new ATOM 0 HG21 VAL A 154 -3.489 6.063 -7.472 1.00 0.00 H new ATOM 0 HG22 VAL A 154 -2.859 6.459 -5.856 1.00 0.00 H new ATOM 0 HG23 VAL A 154 -2.810 4.780 -6.443 1.00 0.00 H new ATOM 1206 N ILE A 155 -6.725 5.060 -3.174 1.00 0.00 N ATOM 1207 CA ILE A 155 -8.018 4.573 -2.708 1.00 0.00 C ATOM 1208 C ILE A 155 -9.097 5.643 -2.854 1.00 0.00 C ATOM 1209 O ILE A 155 -8.854 6.822 -2.597 1.00 0.00 O ATOM 1210 CB ILE A 155 -7.945 4.124 -1.234 1.00 0.00 C ATOM 1211 CG1 ILE A 155 -7.098 2.856 -1.107 1.00 0.00 C ATOM 1212 CG2 ILE A 155 -9.341 3.892 -0.679 1.00 0.00 C ATOM 1213 CD1 ILE A 155 -6.486 2.675 0.265 1.00 0.00 C ATOM 0 H ILE A 155 -6.470 5.984 -2.824 1.00 0.00 H new ATOM 0 HA ILE A 155 -8.280 3.717 -3.330 1.00 0.00 H new ATOM 0 HB ILE A 155 -7.472 4.915 -0.652 1.00 0.00 H new ATOM 0 HG12 ILE A 155 -7.718 1.990 -1.337 1.00 0.00 H new ATOM 0 HG13 ILE A 155 -6.302 2.884 -1.851 1.00 0.00 H new ATOM 0 HG21 ILE A 155 -9.271 3.576 0.362 1.00 0.00 H new ATOM 0 HG22 ILE A 155 -9.915 4.817 -0.739 1.00 0.00 H new ATOM 0 HG23 ILE A 155 -9.840 3.117 -1.261 1.00 0.00 H new ATOM 0 HD11 ILE A 155 -5.899 1.757 0.283 1.00 0.00 H new ATOM 0 HD12 ILE A 155 -5.839 3.523 0.490 1.00 0.00 H new ATOM 0 HD13 ILE A 155 -7.278 2.615 1.012 1.00 0.00 H new ATOM 1225 N GLU A 156 -10.291 5.224 -3.269 1.00 0.00 N ATOM 1226 CA GLU A 156 -11.405 6.148 -3.447 1.00 0.00 C ATOM 1227 C GLU A 156 -12.193 6.308 -2.151 1.00 0.00 C ATOM 1228 O GLU A 156 -12.173 5.369 -1.328 1.00 0.00 O ATOM 1229 CB GLU A 156 -12.328 5.657 -4.563 1.00 0.00 C ATOM 1230 CG GLU A 156 -13.680 6.350 -4.584 1.00 0.00 C ATOM 1231 CD GLU A 156 -14.700 5.615 -5.433 1.00 0.00 C ATOM 1232 OE1 GLU A 156 -14.374 4.518 -5.934 1.00 0.00 O ATOM 1233 OE2 GLU A 156 -15.823 6.136 -5.597 1.00 0.00 O ATOM 1234 OXT GLU A 156 -12.824 7.371 -1.970 1.00 0.00 O ATOM 0 H GLU A 156 -10.510 4.252 -3.487 1.00 0.00 H new ATOM 0 HA GLU A 156 -10.997 7.120 -3.724 1.00 0.00 H new ATOM 0 HB2 GLU A 156 -11.836 5.810 -5.524 1.00 0.00 H new ATOM 0 HB3 GLU A 156 -12.481 4.584 -4.450 1.00 0.00 H new ATOM 0 HG2 GLU A 156 -14.056 6.436 -3.564 1.00 0.00 H new ATOM 0 HG3 GLU A 156 -13.558 7.364 -4.965 1.00 0.00 H new