USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=16 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 HD1:sc= -4.23! X(o=-4.2!,f=-4.3) USER MOD Single : A 85 SER OG : rot 29:sc= -1.28 USER MOD Single : A 87 MET CE :methyl -160:sc= -0.594 (180deg=-2.16!) USER MOD Single : A 90 THR OG1 : rot 180:sc= -1.62! USER MOD Single : A 92 TYR OH : rot 180:sc= 0 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= -0.346 X(o=-0.35,f=0) USER MOD Single : A 108 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0432) USER MOD Single : A 110 ASN : amide:sc= -0.256 X(o=-0.26,f=-0.38) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 CYS SG : rot 168:sc= 0.174 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 -170:sc= -0.649 (180deg=-1.04) USER MOD Single : A 124 MET CE :methyl 163:sc= -0.0167 (180deg=-0.211) USER MOD Single : A 125 ASN : amide:sc= -0.0219 X(o=-0.022,f=-0.45) USER MOD Single : A 126 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 SER OG : rot 27:sc= 0.518 USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD Single : A 136 LYS NZ :NH3+ 150:sc= 0.803 (180deg=-0.136) USER MOD Single : A 142 SER OG : rot 180:sc= 0.0345 USER MOD Single : A 144 GLN :FLIP amide:sc= 0.787 F(o=-1.5,f=0.79) USER MOD ----------------------------------------------------------------- ATOM 66 N GLY A 80 -8.909 11.584 -2.716 1.00 0.00 N ATOM 67 CA GLY A 80 -9.210 10.201 -2.397 1.00 0.00 C ATOM 68 C GLY A 80 -8.578 9.756 -1.093 1.00 0.00 C ATOM 69 O GLY A 80 -8.926 10.259 -0.025 1.00 0.00 O ATOM 0 HA2 GLY A 80 -10.291 10.072 -2.336 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -8.858 9.560 -3.205 1.00 0.00 H new ATOM 73 N HIS A 81 -7.644 8.815 -1.180 1.00 0.00 N ATOM 74 CA HIS A 81 -6.959 8.306 0.003 1.00 0.00 C ATOM 75 C HIS A 81 -5.772 7.437 -0.391 1.00 0.00 C ATOM 76 O HIS A 81 -5.832 6.211 -0.304 1.00 0.00 O ATOM 77 CB HIS A 81 -7.924 7.503 0.878 1.00 0.00 C ATOM 78 CG HIS A 81 -7.258 6.832 2.039 1.00 0.00 C ATOM 79 ND1 HIS A 81 -7.252 7.364 3.312 1.00 0.00 N ATOM 80 CD2 HIS A 81 -6.574 5.665 2.117 1.00 0.00 C ATOM 81 CE1 HIS A 81 -6.591 6.555 4.122 1.00 0.00 C ATOM 82 NE2 HIS A 81 -6.171 5.516 3.422 1.00 0.00 N ATOM 0 H HIS A 81 -7.344 8.389 -2.057 1.00 0.00 H new ATOM 0 HA HIS A 81 -6.592 9.160 0.573 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -8.703 8.168 1.251 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -8.416 6.748 0.265 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -6.381 4.980 1.305 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -6.423 6.716 5.177 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -5.635 4.731 3.791 1.00 0.00 H new ATOM 91 N ILE A 82 -4.693 8.079 -0.823 1.00 0.00 N ATOM 92 CA ILE A 82 -3.493 7.362 -1.229 1.00 0.00 C ATOM 93 C ILE A 82 -2.514 7.231 -0.070 1.00 0.00 C ATOM 94 O ILE A 82 -2.468 8.081 0.818 1.00 0.00 O ATOM 95 CB ILE A 82 -2.788 8.058 -2.406 1.00 0.00 C ATOM 96 CG1 ILE A 82 -3.816 8.507 -3.442 1.00 0.00 C ATOM 97 CG2 ILE A 82 -1.767 7.125 -3.039 1.00 0.00 C ATOM 98 CD1 ILE A 82 -3.198 9.038 -4.717 1.00 0.00 C ATOM 0 H ILE A 82 -4.626 9.094 -0.901 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.813 6.370 -1.547 1.00 0.00 H new ATOM 0 HB ILE A 82 -2.264 8.937 -2.031 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -4.465 7.666 -3.686 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -4.447 9.281 -3.004 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -1.277 7.632 -3.870 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -1.022 6.843 -2.295 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -2.270 6.230 -3.406 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -3.987 9.338 -5.406 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -2.571 9.899 -4.486 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.590 8.260 -5.178 1.00 0.00 H new ATOM 110 N VAL A 83 -1.733 6.159 -0.088 1.00 0.00 N ATOM 111 CA VAL A 83 -0.751 5.911 0.960 1.00 0.00 C ATOM 112 C VAL A 83 0.654 6.265 0.488 1.00 0.00 C ATOM 113 O VAL A 83 1.598 5.496 0.682 1.00 0.00 O ATOM 114 CB VAL A 83 -0.771 4.442 1.419 1.00 0.00 C ATOM 115 CG1 VAL A 83 -0.090 4.293 2.771 1.00 0.00 C ATOM 116 CG2 VAL A 83 -2.199 3.919 1.471 1.00 0.00 C ATOM 0 H VAL A 83 -1.760 5.446 -0.817 1.00 0.00 H new ATOM 0 HA VAL A 83 -1.022 6.547 1.802 1.00 0.00 H new ATOM 0 HB VAL A 83 -0.216 3.847 0.694 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -0.115 3.247 3.078 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.946 4.624 2.695 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -0.612 4.900 3.510 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -2.194 2.879 1.797 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.780 4.517 2.173 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.647 3.986 0.480 1.00 0.00 H new ATOM 126 N ARG A 84 0.787 7.432 -0.132 1.00 0.00 N ATOM 127 CA ARG A 84 2.077 7.892 -0.633 1.00 0.00 C ATOM 128 C ARG A 84 3.206 7.459 0.296 1.00 0.00 C ATOM 129 O ARG A 84 3.124 7.633 1.512 1.00 0.00 O ATOM 130 CB ARG A 84 2.075 9.414 -0.779 1.00 0.00 C ATOM 131 CG ARG A 84 1.326 10.129 0.333 1.00 0.00 C ATOM 132 CD ARG A 84 2.019 9.954 1.673 1.00 0.00 C ATOM 133 NE ARG A 84 1.809 11.099 2.553 1.00 0.00 N ATOM 134 CZ ARG A 84 0.654 11.365 3.153 1.00 0.00 C ATOM 135 NH1 ARG A 84 -0.392 10.571 2.963 1.00 0.00 N ATOM 136 NH2 ARG A 84 0.542 12.424 3.943 1.00 0.00 N ATOM 0 H ARG A 84 0.016 8.078 -0.300 1.00 0.00 H new ATOM 0 HA ARG A 84 2.243 7.440 -1.611 1.00 0.00 H new ATOM 0 HB2 ARG A 84 3.105 9.770 -0.800 1.00 0.00 H new ATOM 0 HB3 ARG A 84 1.627 9.679 -1.737 1.00 0.00 H new ATOM 0 HG2 ARG A 84 1.250 11.191 0.098 1.00 0.00 H new ATOM 0 HG3 ARG A 84 0.309 9.742 0.395 1.00 0.00 H new ATOM 0 HD2 ARG A 84 1.647 9.052 2.158 1.00 0.00 H new ATOM 0 HD3 ARG A 84 3.088 9.812 1.512 1.00 0.00 H new ATOM 0 HE ARG A 84 2.593 11.731 2.717 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -0.310 9.756 2.356 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -1.278 10.776 3.424 1.00 0.00 H new ATOM 0 HH21 ARG A 84 1.344 13.037 4.091 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -0.346 12.626 4.402 1.00 0.00 H new ATOM 150 N SER A 85 4.258 6.895 -0.285 1.00 0.00 N ATOM 151 CA SER A 85 5.403 6.436 0.490 1.00 0.00 C ATOM 152 C SER A 85 5.683 7.375 1.658 1.00 0.00 C ATOM 153 O SER A 85 6.306 8.423 1.490 1.00 0.00 O ATOM 154 CB SER A 85 6.642 6.333 -0.403 1.00 0.00 C ATOM 155 OG SER A 85 7.015 7.605 -0.906 1.00 0.00 O ATOM 0 H SER A 85 4.341 6.745 -1.290 1.00 0.00 H new ATOM 0 HA SER A 85 5.166 5.450 0.889 1.00 0.00 H new ATOM 0 HB2 SER A 85 7.469 5.906 0.165 1.00 0.00 H new ATOM 0 HB3 SER A 85 6.441 5.655 -1.232 1.00 0.00 H new ATOM 0 HG SER A 85 6.745 8.300 -0.270 1.00 0.00 H new ATOM 161 N PRO A 86 5.224 7.007 2.864 1.00 0.00 N ATOM 162 CA PRO A 86 5.427 7.819 4.069 1.00 0.00 C ATOM 163 C PRO A 86 6.905 8.006 4.388 1.00 0.00 C ATOM 164 O PRO A 86 7.272 8.833 5.224 1.00 0.00 O ATOM 165 CB PRO A 86 4.735 7.013 5.175 1.00 0.00 C ATOM 166 CG PRO A 86 4.618 5.627 4.636 1.00 0.00 C ATOM 167 CD PRO A 86 4.476 5.773 3.148 1.00 0.00 C ATOM 0 HA PRO A 86 5.026 8.826 3.954 1.00 0.00 H new ATOM 0 HB2 PRO A 86 5.317 7.029 6.096 1.00 0.00 H new ATOM 0 HB3 PRO A 86 3.755 7.428 5.410 1.00 0.00 H new ATOM 0 HG2 PRO A 86 5.498 5.035 4.888 1.00 0.00 H new ATOM 0 HG3 PRO A 86 3.756 5.114 5.062 1.00 0.00 H new ATOM 0 HD2 PRO A 86 4.893 4.917 2.617 1.00 0.00 H new ATOM 0 HD3 PRO A 86 3.431 5.856 2.848 1.00 0.00 H new ATOM 175 N MET A 87 7.749 7.234 3.714 1.00 0.00 N ATOM 176 CA MET A 87 9.189 7.310 3.917 1.00 0.00 C ATOM 177 C MET A 87 9.931 6.703 2.731 1.00 0.00 C ATOM 178 O MET A 87 9.330 6.040 1.885 1.00 0.00 O ATOM 179 CB MET A 87 9.587 6.590 5.207 1.00 0.00 C ATOM 180 CG MET A 87 9.693 5.081 5.054 1.00 0.00 C ATOM 181 SD MET A 87 9.252 4.197 6.563 1.00 0.00 S ATOM 182 CE MET A 87 9.738 5.388 7.809 1.00 0.00 C ATOM 0 H MET A 87 7.458 6.546 3.020 1.00 0.00 H new ATOM 0 HA MET A 87 9.465 8.361 4.001 1.00 0.00 H new ATOM 0 HB2 MET A 87 10.545 6.980 5.550 1.00 0.00 H new ATOM 0 HB3 MET A 87 8.854 6.818 5.981 1.00 0.00 H new ATOM 0 HG2 MET A 87 9.041 4.755 4.243 1.00 0.00 H new ATOM 0 HG3 MET A 87 10.712 4.819 4.769 1.00 0.00 H new ATOM 0 HE1 MET A 87 9.867 4.882 8.766 1.00 0.00 H new ATOM 0 HE2 MET A 87 10.678 5.857 7.517 1.00 0.00 H new ATOM 0 HE3 MET A 87 8.966 6.151 7.904 1.00 0.00 H new ATOM 192 N VAL A 88 11.238 6.933 2.673 1.00 0.00 N ATOM 193 CA VAL A 88 12.056 6.406 1.587 1.00 0.00 C ATOM 194 C VAL A 88 12.124 4.883 1.643 1.00 0.00 C ATOM 195 O VAL A 88 13.171 4.311 1.948 1.00 0.00 O ATOM 196 CB VAL A 88 13.486 6.973 1.634 1.00 0.00 C ATOM 197 CG1 VAL A 88 13.462 8.492 1.555 1.00 0.00 C ATOM 198 CG2 VAL A 88 14.203 6.508 2.892 1.00 0.00 C ATOM 0 H VAL A 88 11.753 7.480 3.363 1.00 0.00 H new ATOM 0 HA VAL A 88 11.582 6.714 0.655 1.00 0.00 H new ATOM 0 HB VAL A 88 14.035 6.597 0.771 1.00 0.00 H new ATOM 0 HG11 VAL A 88 14.482 8.874 1.590 1.00 0.00 H new ATOM 0 HG12 VAL A 88 12.990 8.800 0.622 1.00 0.00 H new ATOM 0 HG13 VAL A 88 12.896 8.891 2.397 1.00 0.00 H new ATOM 0 HG21 VAL A 88 15.213 6.919 2.908 1.00 0.00 H new ATOM 0 HG22 VAL A 88 13.657 6.852 3.770 1.00 0.00 H new ATOM 0 HG23 VAL A 88 14.254 5.419 2.900 1.00 0.00 H new ATOM 208 N GLY A 89 11.003 4.230 1.350 1.00 0.00 N ATOM 209 CA GLY A 89 10.961 2.779 1.377 1.00 0.00 C ATOM 210 C GLY A 89 10.554 2.182 0.044 1.00 0.00 C ATOM 211 O GLY A 89 10.808 2.767 -1.010 1.00 0.00 O ATOM 0 H GLY A 89 10.124 4.680 1.095 1.00 0.00 H new ATOM 0 HA2 GLY A 89 11.942 2.396 1.658 1.00 0.00 H new ATOM 0 HA3 GLY A 89 10.260 2.454 2.146 1.00 0.00 H new ATOM 215 N THR A 90 9.922 1.013 0.088 1.00 0.00 N ATOM 216 CA THR A 90 9.480 0.336 -1.127 1.00 0.00 C ATOM 217 C THR A 90 8.032 -0.124 -1.001 1.00 0.00 C ATOM 218 O THR A 90 7.662 -0.793 -0.037 1.00 0.00 O ATOM 219 CB THR A 90 10.380 -0.865 -1.426 1.00 0.00 C ATOM 220 OG1 THR A 90 11.716 -0.450 -1.646 1.00 0.00 O ATOM 221 CG2 THR A 90 9.938 -1.656 -2.639 1.00 0.00 C ATOM 0 H THR A 90 9.704 0.515 0.951 1.00 0.00 H new ATOM 0 HA THR A 90 9.547 1.048 -1.950 1.00 0.00 H new ATOM 0 HB THR A 90 10.307 -1.506 -0.548 1.00 0.00 H new ATOM 0 HG1 THR A 90 12.275 -1.233 -1.834 1.00 0.00 H new ATOM 0 HG21 THR A 90 10.618 -2.493 -2.795 1.00 0.00 H new ATOM 0 HG22 THR A 90 8.928 -2.034 -2.479 1.00 0.00 H new ATOM 0 HG23 THR A 90 9.949 -1.011 -3.518 1.00 0.00 H new ATOM 229 N PHE A 91 7.218 0.234 -1.988 1.00 0.00 N ATOM 230 CA PHE A 91 5.809 -0.144 -1.997 1.00 0.00 C ATOM 231 C PHE A 91 5.660 -1.647 -2.206 1.00 0.00 C ATOM 232 O PHE A 91 6.427 -2.252 -2.953 1.00 0.00 O ATOM 233 CB PHE A 91 5.068 0.615 -3.101 1.00 0.00 C ATOM 234 CG PHE A 91 3.649 0.163 -3.310 1.00 0.00 C ATOM 235 CD1 PHE A 91 2.618 0.686 -2.533 1.00 0.00 C ATOM 236 CD2 PHE A 91 3.339 -0.778 -4.289 1.00 0.00 C ATOM 237 CE1 PHE A 91 1.311 0.280 -2.729 1.00 0.00 C ATOM 238 CE2 PHE A 91 2.030 -1.185 -4.487 1.00 0.00 C ATOM 239 CZ PHE A 91 1.016 -0.656 -3.705 1.00 0.00 C ATOM 0 H PHE A 91 7.510 0.787 -2.794 1.00 0.00 H new ATOM 0 HA PHE A 91 5.374 0.117 -1.032 1.00 0.00 H new ATOM 0 HB2 PHE A 91 5.068 1.678 -2.859 1.00 0.00 H new ATOM 0 HB3 PHE A 91 5.616 0.501 -4.036 1.00 0.00 H new ATOM 0 HD1 PHE A 91 2.842 1.416 -1.769 1.00 0.00 H new ATOM 0 HD2 PHE A 91 4.127 -1.194 -4.899 1.00 0.00 H new ATOM 0 HE1 PHE A 91 0.520 0.693 -2.121 1.00 0.00 H new ATOM 0 HE2 PHE A 91 1.800 -1.914 -5.250 1.00 0.00 H new ATOM 0 HZ PHE A 91 -0.005 -0.974 -3.857 1.00 0.00 H new ATOM 249 N TYR A 92 4.671 -2.241 -1.542 1.00 0.00 N ATOM 250 CA TYR A 92 4.423 -3.676 -1.659 1.00 0.00 C ATOM 251 C TYR A 92 2.940 -3.986 -1.489 1.00 0.00 C ATOM 252 O TYR A 92 2.324 -3.603 -0.494 1.00 0.00 O ATOM 253 CB TYR A 92 5.238 -4.453 -0.621 1.00 0.00 C ATOM 254 CG TYR A 92 6.704 -4.598 -0.971 1.00 0.00 C ATOM 255 CD1 TYR A 92 7.128 -4.632 -2.301 1.00 0.00 C ATOM 256 CD2 TYR A 92 7.667 -4.698 0.030 1.00 0.00 C ATOM 257 CE1 TYR A 92 8.474 -4.760 -2.619 1.00 0.00 C ATOM 258 CE2 TYR A 92 9.012 -4.828 -0.280 1.00 0.00 C ATOM 259 CZ TYR A 92 9.409 -4.858 -1.604 1.00 0.00 C ATOM 260 OH TYR A 92 10.744 -4.985 -1.915 1.00 0.00 O ATOM 0 H TYR A 92 4.029 -1.752 -0.918 1.00 0.00 H new ATOM 0 HA TYR A 92 4.734 -3.987 -2.656 1.00 0.00 H new ATOM 0 HB2 TYR A 92 5.153 -3.950 0.343 1.00 0.00 H new ATOM 0 HB3 TYR A 92 4.804 -5.446 -0.502 1.00 0.00 H new ATOM 0 HD1 TYR A 92 6.399 -4.558 -3.094 1.00 0.00 H new ATOM 0 HD2 TYR A 92 7.361 -4.674 1.065 1.00 0.00 H new ATOM 0 HE1 TYR A 92 8.789 -4.783 -3.652 1.00 0.00 H new ATOM 0 HE2 TYR A 92 9.746 -4.905 0.509 1.00 0.00 H new ATOM 0 HH TYR A 92 11.268 -5.041 -1.089 1.00 0.00 H new ATOM 270 N ARG A 93 2.373 -4.684 -2.468 1.00 0.00 N ATOM 271 CA ARG A 93 0.962 -5.048 -2.430 1.00 0.00 C ATOM 272 C ARG A 93 0.792 -6.564 -2.400 1.00 0.00 C ATOM 273 O ARG A 93 -0.257 -7.088 -2.772 1.00 0.00 O ATOM 274 CB ARG A 93 0.231 -4.466 -3.641 1.00 0.00 C ATOM 275 CG ARG A 93 0.381 -5.302 -4.902 1.00 0.00 C ATOM 276 CD ARG A 93 -0.366 -4.684 -6.073 1.00 0.00 C ATOM 277 NE ARG A 93 -0.109 -5.395 -7.322 1.00 0.00 N ATOM 278 CZ ARG A 93 -0.674 -6.557 -7.637 1.00 0.00 C ATOM 279 NH1 ARG A 93 -1.525 -7.132 -6.799 1.00 0.00 N ATOM 280 NH2 ARG A 93 -0.388 -7.145 -8.790 1.00 0.00 N ATOM 0 H ARG A 93 2.870 -5.009 -3.298 1.00 0.00 H new ATOM 0 HA ARG A 93 0.530 -4.633 -1.519 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -0.828 -4.369 -3.403 1.00 0.00 H new ATOM 0 HB3 ARG A 93 0.608 -3.462 -3.834 1.00 0.00 H new ATOM 0 HG2 ARG A 93 1.437 -5.398 -5.153 1.00 0.00 H new ATOM 0 HG3 ARG A 93 0.004 -6.308 -4.719 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -1.436 -4.691 -5.865 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -0.070 -3.641 -6.182 1.00 0.00 H new ATOM 0 HE ARG A 93 0.539 -4.978 -7.990 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -1.748 -6.683 -5.911 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -1.957 -8.023 -7.043 1.00 0.00 H new ATOM 0 HH21 ARG A 93 0.267 -6.706 -9.438 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -0.822 -8.036 -9.030 1.00 0.00 H new ATOM 294 N THR A 94 1.832 -7.263 -1.954 1.00 0.00 N ATOM 295 CA THR A 94 1.797 -8.719 -1.877 1.00 0.00 C ATOM 296 C THR A 94 2.568 -9.220 -0.659 1.00 0.00 C ATOM 297 O THR A 94 3.791 -9.100 -0.594 1.00 0.00 O ATOM 298 CB THR A 94 2.381 -9.331 -3.150 1.00 0.00 C ATOM 299 OG1 THR A 94 2.763 -8.318 -4.063 1.00 0.00 O ATOM 300 CG2 THR A 94 1.420 -10.255 -3.866 1.00 0.00 C ATOM 0 H THR A 94 2.708 -6.845 -1.641 1.00 0.00 H new ATOM 0 HA THR A 94 0.756 -9.027 -1.777 1.00 0.00 H new ATOM 0 HB THR A 94 3.242 -9.913 -2.822 1.00 0.00 H new ATOM 0 HG1 THR A 94 3.136 -8.729 -4.871 1.00 0.00 H new ATOM 0 HG21 THR A 94 1.898 -10.655 -4.760 1.00 0.00 H new ATOM 0 HG22 THR A 94 1.144 -11.076 -3.205 1.00 0.00 H new ATOM 0 HG23 THR A 94 0.525 -9.701 -4.149 1.00 0.00 H new ATOM 308 N PRO A 95 1.856 -9.793 0.323 1.00 0.00 N ATOM 309 CA PRO A 95 2.472 -10.317 1.545 1.00 0.00 C ATOM 310 C PRO A 95 3.248 -11.606 1.296 1.00 0.00 C ATOM 311 O PRO A 95 4.320 -11.818 1.864 1.00 0.00 O ATOM 312 CB PRO A 95 1.273 -10.583 2.456 1.00 0.00 C ATOM 313 CG PRO A 95 0.141 -10.838 1.523 1.00 0.00 C ATOM 314 CD PRO A 95 0.393 -9.974 0.317 1.00 0.00 C ATOM 0 HA PRO A 95 3.201 -9.624 1.966 1.00 0.00 H new ATOM 0 HB2 PRO A 95 1.451 -11.440 3.106 1.00 0.00 H new ATOM 0 HB3 PRO A 95 1.069 -9.729 3.102 1.00 0.00 H new ATOM 0 HG2 PRO A 95 0.094 -11.891 1.245 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -0.812 -10.589 1.989 1.00 0.00 H new ATOM 0 HD2 PRO A 95 0.052 -10.455 -0.600 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -0.130 -9.020 0.390 1.00 0.00 H new ATOM 322 N SER A 96 2.701 -12.464 0.441 1.00 0.00 N ATOM 323 CA SER A 96 3.343 -13.733 0.114 1.00 0.00 C ATOM 324 C SER A 96 3.414 -13.932 -1.396 1.00 0.00 C ATOM 325 O SER A 96 2.692 -13.282 -2.154 1.00 0.00 O ATOM 326 CB SER A 96 2.583 -14.894 0.758 1.00 0.00 C ATOM 327 OG SER A 96 1.694 -14.430 1.760 1.00 0.00 O ATOM 0 H SER A 96 1.815 -12.304 -0.038 1.00 0.00 H new ATOM 0 HA SER A 96 4.359 -13.710 0.508 1.00 0.00 H new ATOM 0 HB2 SER A 96 2.024 -15.435 -0.006 1.00 0.00 H new ATOM 0 HB3 SER A 96 3.291 -15.599 1.194 1.00 0.00 H new ATOM 0 HG SER A 96 1.220 -15.191 2.154 1.00 0.00 H new ATOM 333 N PRO A 97 4.290 -14.838 -1.852 1.00 0.00 N ATOM 334 CA PRO A 97 4.460 -15.128 -3.280 1.00 0.00 C ATOM 335 C PRO A 97 3.227 -15.787 -3.889 1.00 0.00 C ATOM 336 O PRO A 97 2.989 -16.979 -3.697 1.00 0.00 O ATOM 337 CB PRO A 97 5.652 -16.090 -3.312 1.00 0.00 C ATOM 338 CG PRO A 97 5.681 -16.707 -1.957 1.00 0.00 C ATOM 339 CD PRO A 97 5.183 -15.651 -1.010 1.00 0.00 C ATOM 0 HA PRO A 97 4.614 -14.220 -3.863 1.00 0.00 H new ATOM 0 HB2 PRO A 97 5.529 -16.846 -4.088 1.00 0.00 H new ATOM 0 HB3 PRO A 97 6.581 -15.561 -3.526 1.00 0.00 H new ATOM 0 HG2 PRO A 97 5.049 -17.595 -1.919 1.00 0.00 H new ATOM 0 HG3 PRO A 97 6.690 -17.023 -1.694 1.00 0.00 H new ATOM 0 HD2 PRO A 97 4.652 -16.087 -0.164 1.00 0.00 H new ATOM 0 HD3 PRO A 97 6.001 -15.058 -0.602 1.00 0.00 H new ATOM 347 N ASP A 98 2.446 -15.001 -4.624 1.00 0.00 N ATOM 348 CA ASP A 98 1.237 -15.508 -5.263 1.00 0.00 C ATOM 349 C ASP A 98 0.087 -15.587 -4.265 1.00 0.00 C ATOM 350 O ASP A 98 -0.742 -16.495 -4.328 1.00 0.00 O ATOM 351 CB ASP A 98 1.495 -16.886 -5.871 1.00 0.00 C ATOM 352 CG ASP A 98 0.424 -17.290 -6.864 1.00 0.00 C ATOM 353 OD1 ASP A 98 -0.711 -17.580 -6.429 1.00 0.00 O ATOM 354 OD2 ASP A 98 0.718 -17.315 -8.078 1.00 0.00 O ATOM 0 H ASP A 98 2.629 -14.012 -4.792 1.00 0.00 H new ATOM 0 HA ASP A 98 0.959 -14.815 -6.057 1.00 0.00 H new ATOM 0 HB2 ASP A 98 2.465 -16.885 -6.368 1.00 0.00 H new ATOM 0 HB3 ASP A 98 1.546 -17.628 -5.074 1.00 0.00 H new ATOM 359 N ALA A 99 0.043 -14.631 -3.343 1.00 0.00 N ATOM 360 CA ALA A 99 -1.006 -14.593 -2.331 1.00 0.00 C ATOM 361 C ALA A 99 -2.216 -13.809 -2.827 1.00 0.00 C ATOM 362 O ALA A 99 -2.443 -13.693 -4.032 1.00 0.00 O ATOM 363 CB ALA A 99 -0.475 -13.987 -1.041 1.00 0.00 C ATOM 0 H ALA A 99 0.722 -13.872 -3.276 1.00 0.00 H new ATOM 0 HA ALA A 99 -1.324 -15.617 -2.133 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -1.270 -13.965 -0.295 1.00 0.00 H new ATOM 0 HB2 ALA A 99 0.354 -14.589 -0.670 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -0.129 -12.971 -1.232 1.00 0.00 H new ATOM 369 N LYS A 100 -2.992 -13.272 -1.891 1.00 0.00 N ATOM 370 CA LYS A 100 -4.179 -12.499 -2.235 1.00 0.00 C ATOM 371 C LYS A 100 -3.867 -11.006 -2.252 1.00 0.00 C ATOM 372 O LYS A 100 -4.743 -10.176 -2.010 1.00 0.00 O ATOM 373 CB LYS A 100 -5.305 -12.784 -1.241 1.00 0.00 C ATOM 374 CG LYS A 100 -4.963 -12.410 0.192 1.00 0.00 C ATOM 375 CD LYS A 100 -4.653 -13.640 1.030 1.00 0.00 C ATOM 376 CE LYS A 100 -5.886 -14.508 1.224 1.00 0.00 C ATOM 377 NZ LYS A 100 -6.024 -14.972 2.632 1.00 0.00 N ATOM 0 H LYS A 100 -2.820 -13.358 -0.889 1.00 0.00 H new ATOM 0 HA LYS A 100 -4.501 -12.798 -3.233 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -6.196 -12.236 -1.548 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -5.554 -13.845 -1.281 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -4.105 -11.738 0.199 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -5.797 -11.867 0.636 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -3.869 -14.223 0.546 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -4.267 -13.332 2.002 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -6.775 -13.945 0.939 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -5.830 -15.372 0.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -6.877 -15.561 2.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -5.188 -15.531 2.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -6.104 -14.149 3.263 1.00 0.00 H new ATOM 391 N ALA A 101 -2.613 -10.672 -2.539 1.00 0.00 N ATOM 392 CA ALA A 101 -2.185 -9.279 -2.586 1.00 0.00 C ATOM 393 C ALA A 101 -2.521 -8.559 -1.286 1.00 0.00 C ATOM 394 O ALA A 101 -3.167 -9.122 -0.402 1.00 0.00 O ATOM 395 CB ALA A 101 -2.830 -8.570 -3.767 1.00 0.00 C ATOM 0 H ALA A 101 -1.876 -11.347 -2.742 1.00 0.00 H new ATOM 0 HA ALA A 101 -1.102 -9.260 -2.712 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -2.502 -7.531 -3.791 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.536 -9.064 -4.693 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -3.915 -8.606 -3.665 1.00 0.00 H new ATOM 401 N PHE A 102 -2.079 -7.311 -1.175 1.00 0.00 N ATOM 402 CA PHE A 102 -2.334 -6.514 0.018 1.00 0.00 C ATOM 403 C PHE A 102 -3.505 -5.563 -0.204 1.00 0.00 C ATOM 404 O PHE A 102 -4.282 -5.296 0.713 1.00 0.00 O ATOM 405 CB PHE A 102 -1.083 -5.721 0.402 1.00 0.00 C ATOM 406 CG PHE A 102 -0.445 -6.195 1.675 1.00 0.00 C ATOM 407 CD1 PHE A 102 -1.227 -6.541 2.771 1.00 0.00 C ATOM 408 CD2 PHE A 102 0.939 -6.297 1.780 1.00 0.00 C ATOM 409 CE1 PHE A 102 -0.642 -6.981 3.948 1.00 0.00 C ATOM 410 CE2 PHE A 102 1.529 -6.736 2.954 1.00 0.00 C ATOM 411 CZ PHE A 102 0.737 -7.079 4.039 1.00 0.00 C ATOM 0 H PHE A 102 -1.542 -6.830 -1.897 1.00 0.00 H new ATOM 0 HA PHE A 102 -2.590 -7.193 0.832 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -0.356 -5.789 -0.407 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -1.347 -4.669 0.506 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -2.302 -6.466 2.705 1.00 0.00 H new ATOM 0 HD2 PHE A 102 1.560 -6.031 0.937 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -1.260 -7.247 4.793 1.00 0.00 H new ATOM 0 HE2 PHE A 102 2.604 -6.811 3.024 1.00 0.00 H new ATOM 0 HZ PHE A 102 1.195 -7.422 4.955 1.00 0.00 H new ATOM 421 N ILE A 103 -3.622 -5.056 -1.426 1.00 0.00 N ATOM 422 CA ILE A 103 -4.696 -4.133 -1.773 1.00 0.00 C ATOM 423 C ILE A 103 -4.612 -3.724 -3.239 1.00 0.00 C ATOM 424 O ILE A 103 -3.589 -3.211 -3.693 1.00 0.00 O ATOM 425 CB ILE A 103 -4.663 -2.864 -0.897 1.00 0.00 C ATOM 426 CG1 ILE A 103 -3.226 -2.496 -0.527 1.00 0.00 C ATOM 427 CG2 ILE A 103 -5.500 -3.060 0.355 1.00 0.00 C ATOM 428 CD1 ILE A 103 -2.547 -1.618 -1.553 1.00 0.00 C ATOM 0 H ILE A 103 -2.985 -5.269 -2.194 1.00 0.00 H new ATOM 0 HA ILE A 103 -5.633 -4.661 -1.594 1.00 0.00 H new ATOM 0 HB ILE A 103 -5.088 -2.042 -1.473 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -3.226 -1.984 0.435 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -2.646 -3.410 -0.401 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -5.465 -2.155 0.961 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -6.532 -3.269 0.074 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -5.104 -3.897 0.930 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -1.531 -1.396 -1.227 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -2.515 -2.136 -2.511 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -3.105 -0.688 -1.662 1.00 0.00 H new ATOM 440 N GLU A 104 -5.693 -3.956 -3.975 1.00 0.00 N ATOM 441 CA GLU A 104 -5.740 -3.611 -5.390 1.00 0.00 C ATOM 442 C GLU A 104 -7.112 -3.065 -5.773 1.00 0.00 C ATOM 443 O GLU A 104 -8.080 -3.216 -5.029 1.00 0.00 O ATOM 444 CB GLU A 104 -5.409 -4.836 -6.246 1.00 0.00 C ATOM 445 CG GLU A 104 -4.110 -4.700 -7.025 1.00 0.00 C ATOM 446 CD GLU A 104 -4.005 -5.697 -8.162 1.00 0.00 C ATOM 447 OE1 GLU A 104 -4.853 -6.611 -8.231 1.00 0.00 O ATOM 448 OE2 GLU A 104 -3.075 -5.562 -8.986 1.00 0.00 O ATOM 0 H GLU A 104 -6.548 -4.381 -3.615 1.00 0.00 H new ATOM 0 HA GLU A 104 -4.997 -2.835 -5.574 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -5.347 -5.713 -5.602 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -6.226 -5.012 -6.946 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -4.035 -3.689 -7.425 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -3.268 -4.838 -6.347 1.00 0.00 H new ATOM 455 N VAL A 105 -7.186 -2.430 -6.937 1.00 0.00 N ATOM 456 CA VAL A 105 -8.438 -1.860 -7.418 1.00 0.00 C ATOM 457 C VAL A 105 -9.622 -2.749 -7.054 1.00 0.00 C ATOM 458 O VAL A 105 -9.567 -3.970 -7.211 1.00 0.00 O ATOM 459 CB VAL A 105 -8.413 -1.659 -8.945 1.00 0.00 C ATOM 460 CG1 VAL A 105 -9.672 -0.944 -9.410 1.00 0.00 C ATOM 461 CG2 VAL A 105 -7.168 -0.892 -9.362 1.00 0.00 C ATOM 0 H VAL A 105 -6.393 -2.297 -7.565 1.00 0.00 H new ATOM 0 HA VAL A 105 -8.551 -0.891 -6.933 1.00 0.00 H new ATOM 0 HB VAL A 105 -8.384 -2.639 -9.422 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -9.636 -0.811 -10.491 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -10.547 -1.539 -9.146 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -9.737 0.031 -8.926 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -7.168 -0.760 -10.444 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -7.162 0.084 -8.877 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -6.280 -1.450 -9.064 1.00 0.00 H new ATOM 471 N GLY A 106 -10.694 -2.130 -6.570 1.00 0.00 N ATOM 472 CA GLY A 106 -11.875 -2.881 -6.191 1.00 0.00 C ATOM 473 C GLY A 106 -11.819 -3.368 -4.756 1.00 0.00 C ATOM 474 O GLY A 106 -12.853 -3.610 -4.135 1.00 0.00 O ATOM 0 H GLY A 106 -10.765 -1.122 -6.434 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -12.758 -2.255 -6.325 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -11.987 -3.736 -6.857 1.00 0.00 H new ATOM 478 N GLN A 107 -10.607 -3.511 -4.230 1.00 0.00 N ATOM 479 CA GLN A 107 -10.418 -3.973 -2.859 1.00 0.00 C ATOM 480 C GLN A 107 -10.831 -2.895 -1.861 1.00 0.00 C ATOM 481 O GLN A 107 -10.040 -2.016 -1.518 1.00 0.00 O ATOM 482 CB GLN A 107 -8.959 -4.367 -2.629 1.00 0.00 C ATOM 483 CG GLN A 107 -8.643 -4.718 -1.184 1.00 0.00 C ATOM 484 CD GLN A 107 -8.569 -6.215 -0.950 1.00 0.00 C ATOM 485 OE1 GLN A 107 -7.599 -6.718 -0.385 1.00 0.00 O ATOM 486 NE2 GLN A 107 -9.598 -6.934 -1.383 1.00 0.00 N ATOM 0 H GLN A 107 -9.741 -3.314 -4.732 1.00 0.00 H new ATOM 0 HA GLN A 107 -11.051 -4.847 -2.705 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -8.718 -5.221 -3.262 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -8.316 -3.545 -2.943 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -7.693 -4.263 -0.903 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -9.407 -4.290 -0.535 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -10.382 -6.475 -1.847 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -9.604 -7.946 -1.252 1.00 0.00 H new ATOM 495 N LYS A 108 -12.074 -2.971 -1.398 1.00 0.00 N ATOM 496 CA LYS A 108 -12.593 -2.003 -0.438 1.00 0.00 C ATOM 497 C LYS A 108 -12.038 -2.269 0.957 1.00 0.00 C ATOM 498 O LYS A 108 -12.452 -3.212 1.631 1.00 0.00 O ATOM 499 CB LYS A 108 -14.123 -2.053 -0.410 1.00 0.00 C ATOM 500 CG LYS A 108 -14.751 -2.220 -1.784 1.00 0.00 C ATOM 501 CD LYS A 108 -16.234 -1.889 -1.763 1.00 0.00 C ATOM 502 CE LYS A 108 -17.044 -2.909 -2.545 1.00 0.00 C ATOM 503 NZ LYS A 108 -16.613 -2.989 -3.968 1.00 0.00 N ATOM 0 H LYS A 108 -12.741 -3.693 -1.672 1.00 0.00 H new ATOM 0 HA LYS A 108 -12.274 -1.009 -0.752 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -14.440 -2.878 0.228 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -14.500 -1.136 0.044 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -14.243 -1.572 -2.499 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -14.611 -3.245 -2.127 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -16.586 -1.857 -0.732 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -16.392 -0.897 -2.185 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -16.940 -3.889 -2.079 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -18.101 -2.645 -2.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -17.264 -3.606 -4.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -16.623 -2.037 -4.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -15.650 -3.379 -4.018 1.00 0.00 H new ATOM 517 N VAL A 109 -11.097 -1.433 1.384 1.00 0.00 N ATOM 518 CA VAL A 109 -10.484 -1.579 2.699 1.00 0.00 C ATOM 519 C VAL A 109 -11.379 -1.003 3.791 1.00 0.00 C ATOM 520 O VAL A 109 -12.407 -0.388 3.505 1.00 0.00 O ATOM 521 CB VAL A 109 -9.111 -0.886 2.760 1.00 0.00 C ATOM 522 CG1 VAL A 109 -8.067 -1.702 2.013 1.00 0.00 C ATOM 523 CG2 VAL A 109 -9.198 0.524 2.199 1.00 0.00 C ATOM 0 H VAL A 109 -10.742 -0.647 0.838 1.00 0.00 H new ATOM 0 HA VAL A 109 -10.351 -2.648 2.867 1.00 0.00 H new ATOM 0 HB VAL A 109 -8.806 -0.817 3.804 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -7.103 -1.196 2.067 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -7.985 -2.690 2.466 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -8.364 -1.805 0.969 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -8.218 0.997 2.251 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -9.527 0.483 1.161 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -9.912 1.104 2.783 1.00 0.00 H new ATOM 533 N ASN A 110 -10.979 -1.204 5.042 1.00 0.00 N ATOM 534 CA ASN A 110 -11.738 -0.707 6.175 1.00 0.00 C ATOM 535 C ASN A 110 -10.826 -0.455 7.366 1.00 0.00 C ATOM 536 O ASN A 110 -10.032 -1.313 7.752 1.00 0.00 O ATOM 537 CB ASN A 110 -12.832 -1.696 6.562 1.00 0.00 C ATOM 538 CG ASN A 110 -12.291 -2.888 7.328 1.00 0.00 C ATOM 539 OD1 ASN A 110 -11.663 -3.777 6.752 1.00 0.00 O ATOM 540 ND2 ASN A 110 -12.530 -2.911 8.633 1.00 0.00 N ATOM 0 H ASN A 110 -10.130 -1.710 5.294 1.00 0.00 H new ATOM 0 HA ASN A 110 -12.200 0.236 5.882 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -13.580 -1.186 7.170 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -13.337 -2.045 5.661 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -12.189 -3.687 9.200 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -13.055 -2.153 9.069 1.00 0.00 H new ATOM 547 N VAL A 111 -10.949 0.729 7.938 1.00 0.00 N ATOM 548 CA VAL A 111 -10.143 1.115 9.089 1.00 0.00 C ATOM 549 C VAL A 111 -10.051 -0.022 10.100 1.00 0.00 C ATOM 550 O VAL A 111 -11.013 -0.761 10.309 1.00 0.00 O ATOM 551 CB VAL A 111 -10.722 2.362 9.784 1.00 0.00 C ATOM 552 CG1 VAL A 111 -12.161 2.116 10.208 1.00 0.00 C ATOM 553 CG2 VAL A 111 -9.866 2.756 10.978 1.00 0.00 C ATOM 0 H VAL A 111 -11.603 1.446 7.624 1.00 0.00 H new ATOM 0 HA VAL A 111 -9.145 1.346 8.716 1.00 0.00 H new ATOM 0 HB VAL A 111 -10.713 3.188 9.073 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -12.554 3.007 10.697 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -12.765 1.888 9.330 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -12.197 1.276 10.901 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -10.292 3.639 11.455 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -9.839 1.934 11.693 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -8.853 2.978 10.642 1.00 0.00 H new ATOM 563 N GLY A 112 -8.886 -0.159 10.725 1.00 0.00 N ATOM 564 CA GLY A 112 -8.689 -1.211 11.705 1.00 0.00 C ATOM 565 C GLY A 112 -8.166 -2.489 11.083 1.00 0.00 C ATOM 566 O GLY A 112 -7.906 -3.468 11.781 1.00 0.00 O ATOM 0 H GLY A 112 -8.075 0.440 10.570 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -7.989 -0.868 12.467 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -9.633 -1.416 12.209 1.00 0.00 H new ATOM 570 N ASP A 113 -8.010 -2.479 9.763 1.00 0.00 N ATOM 571 CA ASP A 113 -7.515 -3.640 9.041 1.00 0.00 C ATOM 572 C ASP A 113 -6.073 -3.419 8.591 1.00 0.00 C ATOM 573 O ASP A 113 -5.298 -2.751 9.277 1.00 0.00 O ATOM 574 CB ASP A 113 -8.411 -3.928 7.834 1.00 0.00 C ATOM 575 CG ASP A 113 -8.504 -5.409 7.521 1.00 0.00 C ATOM 576 OD1 ASP A 113 -7.803 -6.201 8.186 1.00 0.00 O ATOM 577 OD2 ASP A 113 -9.277 -5.776 6.612 1.00 0.00 O ATOM 0 H ASP A 113 -8.221 -1.675 9.172 1.00 0.00 H new ATOM 0 HA ASP A 113 -7.536 -4.500 9.710 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -9.410 -3.537 8.026 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -8.023 -3.399 6.963 1.00 0.00 H new ATOM 582 N THR A 114 -5.716 -3.979 7.440 1.00 0.00 N ATOM 583 CA THR A 114 -4.368 -3.836 6.909 1.00 0.00 C ATOM 584 C THR A 114 -4.399 -3.392 5.450 1.00 0.00 C ATOM 585 O THR A 114 -4.959 -4.078 4.594 1.00 0.00 O ATOM 586 CB THR A 114 -3.605 -5.156 7.036 1.00 0.00 C ATOM 587 OG1 THR A 114 -3.862 -5.766 8.288 1.00 0.00 O ATOM 588 CG2 THR A 114 -2.105 -4.995 6.903 1.00 0.00 C ATOM 0 H THR A 114 -6.342 -4.536 6.858 1.00 0.00 H new ATOM 0 HA THR A 114 -3.856 -3.070 7.491 1.00 0.00 H new ATOM 0 HB THR A 114 -3.963 -5.776 6.214 1.00 0.00 H new ATOM 0 HG1 THR A 114 -3.366 -6.609 8.349 1.00 0.00 H new ATOM 0 HG21 THR A 114 -1.624 -5.968 7.003 1.00 0.00 H new ATOM 0 HG22 THR A 114 -1.870 -4.572 5.926 1.00 0.00 H new ATOM 0 HG23 THR A 114 -1.740 -4.328 7.684 1.00 0.00 H new ATOM 596 N LEU A 115 -3.795 -2.241 5.174 1.00 0.00 N ATOM 597 CA LEU A 115 -3.753 -1.705 3.819 1.00 0.00 C ATOM 598 C LEU A 115 -2.713 -2.438 2.979 1.00 0.00 C ATOM 599 O LEU A 115 -3.033 -3.390 2.267 1.00 0.00 O ATOM 600 CB LEU A 115 -3.437 -0.209 3.849 1.00 0.00 C ATOM 601 CG LEU A 115 -4.648 0.706 4.040 1.00 0.00 C ATOM 602 CD1 LEU A 115 -4.210 2.160 4.122 1.00 0.00 C ATOM 603 CD2 LEU A 115 -5.645 0.509 2.909 1.00 0.00 C ATOM 0 H LEU A 115 -3.328 -1.661 5.871 1.00 0.00 H new ATOM 0 HA LEU A 115 -4.733 -1.853 3.365 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -2.727 -0.019 4.654 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -2.941 0.061 2.917 1.00 0.00 H new ATOM 0 HG LEU A 115 -5.136 0.443 4.978 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -5.084 2.796 4.258 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -3.533 2.289 4.966 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -3.698 2.438 3.201 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -6.501 1.167 3.060 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -5.168 0.746 1.958 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -5.982 -0.528 2.897 1.00 0.00 H new ATOM 615 N CYS A 116 -1.466 -1.989 3.069 1.00 0.00 N ATOM 616 CA CYS A 116 -0.376 -2.603 2.320 1.00 0.00 C ATOM 617 C CYS A 116 0.934 -2.507 3.094 1.00 0.00 C ATOM 618 O CYS A 116 1.014 -1.829 4.118 1.00 0.00 O ATOM 619 CB CYS A 116 -0.225 -1.930 0.953 1.00 0.00 C ATOM 620 SG CYS A 116 0.720 -0.390 0.988 1.00 0.00 S ATOM 0 H CYS A 116 -1.185 -1.202 3.653 1.00 0.00 H new ATOM 0 HA CYS A 116 -0.616 -3.656 2.173 1.00 0.00 H new ATOM 0 HB2 CYS A 116 0.261 -2.626 0.269 1.00 0.00 H new ATOM 0 HB3 CYS A 116 -1.217 -1.726 0.549 1.00 0.00 H new ATOM 0 HG CYS A 116 1.004 -0.027 -0.228 1.00 0.00 H new ATOM 626 N ILE A 117 1.959 -3.191 2.598 1.00 0.00 N ATOM 627 CA ILE A 117 3.265 -3.186 3.243 1.00 0.00 C ATOM 628 C ILE A 117 4.252 -2.317 2.465 1.00 0.00 C ATOM 629 O ILE A 117 4.125 -2.143 1.254 1.00 0.00 O ATOM 630 CB ILE A 117 3.816 -4.630 3.388 1.00 0.00 C ATOM 631 CG1 ILE A 117 3.319 -5.250 4.696 1.00 0.00 C ATOM 632 CG2 ILE A 117 5.338 -4.663 3.332 1.00 0.00 C ATOM 633 CD1 ILE A 117 3.867 -6.636 4.961 1.00 0.00 C ATOM 0 H ILE A 117 1.910 -3.756 1.750 1.00 0.00 H new ATOM 0 HA ILE A 117 3.144 -2.762 4.240 1.00 0.00 H new ATOM 0 HB ILE A 117 3.445 -5.215 2.546 1.00 0.00 H new ATOM 0 HG12 ILE A 117 3.593 -4.596 5.524 1.00 0.00 H new ATOM 0 HG13 ILE A 117 2.230 -5.298 4.674 1.00 0.00 H new ATOM 0 HG21 ILE A 117 5.684 -5.691 3.437 1.00 0.00 H new ATOM 0 HG22 ILE A 117 5.676 -4.263 2.376 1.00 0.00 H new ATOM 0 HG23 ILE A 117 5.745 -4.059 4.143 1.00 0.00 H new ATOM 0 HD11 ILE A 117 3.470 -7.010 5.905 1.00 0.00 H new ATOM 0 HD12 ILE A 117 3.571 -7.305 4.153 1.00 0.00 H new ATOM 0 HD13 ILE A 117 4.955 -6.593 5.016 1.00 0.00 H new ATOM 645 N VAL A 118 5.235 -1.775 3.177 1.00 0.00 N ATOM 646 CA VAL A 118 6.247 -0.923 2.564 1.00 0.00 C ATOM 647 C VAL A 118 7.609 -1.138 3.212 1.00 0.00 C ATOM 648 O VAL A 118 7.868 -0.654 4.315 1.00 0.00 O ATOM 649 CB VAL A 118 5.869 0.566 2.672 1.00 0.00 C ATOM 650 CG1 VAL A 118 7.041 1.447 2.268 1.00 0.00 C ATOM 651 CG2 VAL A 118 4.646 0.870 1.819 1.00 0.00 C ATOM 0 H VAL A 118 5.352 -1.911 4.181 1.00 0.00 H new ATOM 0 HA VAL A 118 6.299 -1.200 1.511 1.00 0.00 H new ATOM 0 HB VAL A 118 5.623 0.784 3.711 1.00 0.00 H new ATOM 0 HG11 VAL A 118 6.754 2.495 2.351 1.00 0.00 H new ATOM 0 HG12 VAL A 118 7.888 1.250 2.925 1.00 0.00 H new ATOM 0 HG13 VAL A 118 7.322 1.228 1.238 1.00 0.00 H new ATOM 0 HG21 VAL A 118 4.394 1.927 1.908 1.00 0.00 H new ATOM 0 HG22 VAL A 118 4.862 0.635 0.777 1.00 0.00 H new ATOM 0 HG23 VAL A 118 3.805 0.266 2.160 1.00 0.00 H new ATOM 661 N GLU A 119 8.478 -1.870 2.522 1.00 0.00 N ATOM 662 CA GLU A 119 9.815 -2.153 3.031 1.00 0.00 C ATOM 663 C GLU A 119 10.646 -0.878 3.134 1.00 0.00 C ATOM 664 O GLU A 119 11.180 -0.390 2.138 1.00 0.00 O ATOM 665 CB GLU A 119 10.521 -3.162 2.124 1.00 0.00 C ATOM 666 CG GLU A 119 10.547 -4.573 2.688 1.00 0.00 C ATOM 667 CD GLU A 119 11.752 -5.365 2.221 1.00 0.00 C ATOM 668 OE1 GLU A 119 12.751 -4.737 1.810 1.00 0.00 O ATOM 669 OE2 GLU A 119 11.697 -6.612 2.268 1.00 0.00 O ATOM 0 H GLU A 119 8.280 -2.278 1.608 1.00 0.00 H new ATOM 0 HA GLU A 119 9.713 -2.576 4.030 1.00 0.00 H new ATOM 0 HB2 GLU A 119 10.024 -3.176 1.154 1.00 0.00 H new ATOM 0 HB3 GLU A 119 11.545 -2.829 1.952 1.00 0.00 H new ATOM 0 HG2 GLU A 119 10.548 -4.525 3.777 1.00 0.00 H new ATOM 0 HG3 GLU A 119 9.637 -5.095 2.393 1.00 0.00 H new ATOM 676 N ALA A 120 10.755 -0.345 4.347 1.00 0.00 N ATOM 677 CA ALA A 120 11.524 0.870 4.584 1.00 0.00 C ATOM 678 C ALA A 120 13.001 0.558 4.748 1.00 0.00 C ATOM 679 O ALA A 120 13.804 0.759 3.836 1.00 0.00 O ATOM 680 CB ALA A 120 10.997 1.597 5.813 1.00 0.00 C ATOM 0 H ALA A 120 10.319 -0.737 5.182 1.00 0.00 H new ATOM 0 HA ALA A 120 11.410 1.518 3.715 1.00 0.00 H new ATOM 0 HB1 ALA A 120 11.581 2.503 5.978 1.00 0.00 H new ATOM 0 HB2 ALA A 120 9.951 1.862 5.658 1.00 0.00 H new ATOM 0 HB3 ALA A 120 11.081 0.947 6.684 1.00 0.00 H new ATOM 686 N MET A 121 13.341 0.058 5.918 1.00 0.00 N ATOM 687 CA MET A 121 14.717 -0.303 6.238 1.00 0.00 C ATOM 688 C MET A 121 14.977 -1.763 5.889 1.00 0.00 C ATOM 689 O MET A 121 15.755 -2.443 6.558 1.00 0.00 O ATOM 690 CB MET A 121 14.997 -0.066 7.723 1.00 0.00 C ATOM 691 CG MET A 121 14.185 -0.963 8.644 1.00 0.00 C ATOM 692 SD MET A 121 14.942 -1.152 10.271 1.00 0.00 S ATOM 693 CE MET A 121 15.811 -2.704 10.061 1.00 0.00 C ATOM 0 H MET A 121 12.678 -0.111 6.675 1.00 0.00 H new ATOM 0 HA MET A 121 15.384 0.325 5.648 1.00 0.00 H new ATOM 0 HB2 MET A 121 16.058 -0.227 7.915 1.00 0.00 H new ATOM 0 HB3 MET A 121 14.784 0.976 7.963 1.00 0.00 H new ATOM 0 HG2 MET A 121 13.184 -0.548 8.759 1.00 0.00 H new ATOM 0 HG3 MET A 121 14.073 -1.944 8.183 1.00 0.00 H new ATOM 0 HE1 MET A 121 16.331 -2.958 10.985 1.00 0.00 H new ATOM 0 HE2 MET A 121 15.097 -3.491 9.818 1.00 0.00 H new ATOM 0 HE3 MET A 121 16.535 -2.609 9.252 1.00 0.00 H new ATOM 703 N LYS A 122 14.310 -2.235 4.840 1.00 0.00 N ATOM 704 CA LYS A 122 14.446 -3.614 4.387 1.00 0.00 C ATOM 705 C LYS A 122 13.415 -4.513 5.067 1.00 0.00 C ATOM 706 O LYS A 122 13.395 -5.724 4.852 1.00 0.00 O ATOM 707 CB LYS A 122 15.867 -4.136 4.645 1.00 0.00 C ATOM 708 CG LYS A 122 16.019 -4.915 5.944 1.00 0.00 C ATOM 709 CD LYS A 122 15.712 -6.391 5.747 1.00 0.00 C ATOM 710 CE LYS A 122 16.770 -7.272 6.392 1.00 0.00 C ATOM 711 NZ LYS A 122 16.868 -8.575 5.739 1.00 0.00 N ATOM 0 H LYS A 122 13.664 -1.676 4.283 1.00 0.00 H new ATOM 0 HA LYS A 122 14.263 -3.634 3.313 1.00 0.00 H new ATOM 0 HB2 LYS A 122 16.163 -4.776 3.814 1.00 0.00 H new ATOM 0 HB3 LYS A 122 16.556 -3.291 4.658 1.00 0.00 H new ATOM 0 HG2 LYS A 122 17.035 -4.801 6.321 1.00 0.00 H new ATOM 0 HG3 LYS A 122 15.350 -4.501 6.699 1.00 0.00 H new ATOM 0 HD2 LYS A 122 14.736 -6.621 6.174 1.00 0.00 H new ATOM 0 HD3 LYS A 122 15.653 -6.612 4.681 1.00 0.00 H new ATOM 0 HE2 LYS A 122 17.737 -6.770 6.347 1.00 0.00 H new ATOM 0 HE3 LYS A 122 16.532 -7.412 7.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 17.600 -9.145 6.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 15.953 -9.065 5.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 17.120 -8.444 4.739 1.00 0.00 H new ATOM 722 N MET A 123 12.556 -3.909 5.885 1.00 0.00 N ATOM 723 CA MET A 123 11.522 -4.654 6.590 1.00 0.00 C ATOM 724 C MET A 123 10.134 -4.203 6.151 1.00 0.00 C ATOM 725 O MET A 123 9.856 -3.007 6.068 1.00 0.00 O ATOM 726 CB MET A 123 11.671 -4.474 8.100 1.00 0.00 C ATOM 727 CG MET A 123 11.439 -3.047 8.569 1.00 0.00 C ATOM 728 SD MET A 123 11.763 -2.833 10.329 1.00 0.00 S ATOM 729 CE MET A 123 11.357 -4.465 10.947 1.00 0.00 C ATOM 0 H MET A 123 12.557 -2.907 6.074 1.00 0.00 H new ATOM 0 HA MET A 123 11.640 -5.709 6.344 1.00 0.00 H new ATOM 0 HB2 MET A 123 10.967 -5.133 8.607 1.00 0.00 H new ATOM 0 HB3 MET A 123 12.672 -4.787 8.398 1.00 0.00 H new ATOM 0 HG2 MET A 123 12.080 -2.373 8.001 1.00 0.00 H new ATOM 0 HG3 MET A 123 10.409 -2.762 8.356 1.00 0.00 H new ATOM 0 HE1 MET A 123 11.335 -4.446 12.037 1.00 0.00 H new ATOM 0 HE2 MET A 123 10.379 -4.764 10.569 1.00 0.00 H new ATOM 0 HE3 MET A 123 12.110 -5.179 10.612 1.00 0.00 H new ATOM 739 N MET A 124 9.267 -5.169 5.874 1.00 0.00 N ATOM 740 CA MET A 124 7.906 -4.875 5.445 1.00 0.00 C ATOM 741 C MET A 124 7.196 -3.985 6.461 1.00 0.00 C ATOM 742 O MET A 124 7.038 -4.357 7.624 1.00 0.00 O ATOM 743 CB MET A 124 7.122 -6.174 5.251 1.00 0.00 C ATOM 744 CG MET A 124 7.550 -6.966 4.026 1.00 0.00 C ATOM 745 SD MET A 124 8.701 -8.295 4.426 1.00 0.00 S ATOM 746 CE MET A 124 7.608 -9.456 5.242 1.00 0.00 C ATOM 0 H MET A 124 9.483 -6.164 5.939 1.00 0.00 H new ATOM 0 HA MET A 124 7.956 -4.342 4.495 1.00 0.00 H new ATOM 0 HB2 MET A 124 7.243 -6.797 6.137 1.00 0.00 H new ATOM 0 HB3 MET A 124 6.061 -5.939 5.169 1.00 0.00 H new ATOM 0 HG2 MET A 124 6.668 -7.387 3.544 1.00 0.00 H new ATOM 0 HG3 MET A 124 8.015 -6.292 3.307 1.00 0.00 H new ATOM 0 HE1 MET A 124 8.082 -10.437 5.279 1.00 0.00 H new ATOM 0 HE2 MET A 124 7.404 -9.113 6.256 1.00 0.00 H new ATOM 0 HE3 MET A 124 6.672 -9.526 4.688 1.00 0.00 H new ATOM 756 N ASN A 125 6.769 -2.808 6.014 1.00 0.00 N ATOM 757 CA ASN A 125 6.074 -1.866 6.883 1.00 0.00 C ATOM 758 C ASN A 125 4.571 -1.894 6.626 1.00 0.00 C ATOM 759 O ASN A 125 4.016 -0.971 6.029 1.00 0.00 O ATOM 760 CB ASN A 125 6.615 -0.451 6.671 1.00 0.00 C ATOM 761 CG ASN A 125 6.403 0.438 7.881 1.00 0.00 C ATOM 762 OD1 ASN A 125 6.656 0.032 9.016 1.00 0.00 O ATOM 763 ND2 ASN A 125 5.938 1.658 7.645 1.00 0.00 N ATOM 0 H ASN A 125 6.892 -2.484 5.055 1.00 0.00 H new ATOM 0 HA ASN A 125 6.252 -2.164 7.916 1.00 0.00 H new ATOM 0 HB2 ASN A 125 7.680 -0.503 6.444 1.00 0.00 H new ATOM 0 HB3 ASN A 125 6.126 -0.004 5.805 1.00 0.00 H new ATOM 0 HD21 ASN A 125 5.777 2.301 8.420 1.00 0.00 H new ATOM 0 HD22 ASN A 125 5.742 1.953 6.688 1.00 0.00 H new ATOM 770 N GLN A 126 3.918 -2.959 7.078 1.00 0.00 N ATOM 771 CA GLN A 126 2.479 -3.109 6.896 1.00 0.00 C ATOM 772 C GLN A 126 1.734 -1.870 7.380 1.00 0.00 C ATOM 773 O GLN A 126 1.967 -1.385 8.487 1.00 0.00 O ATOM 774 CB GLN A 126 1.977 -4.346 7.644 1.00 0.00 C ATOM 775 CG GLN A 126 1.885 -4.153 9.149 1.00 0.00 C ATOM 776 CD GLN A 126 1.115 -5.264 9.835 1.00 0.00 C ATOM 777 OE1 GLN A 126 -0.084 -5.432 9.614 1.00 0.00 O ATOM 778 NE2 GLN A 126 1.803 -6.031 10.673 1.00 0.00 N ATOM 0 H GLN A 126 4.363 -3.732 7.573 1.00 0.00 H new ATOM 0 HA GLN A 126 2.284 -3.232 5.831 1.00 0.00 H new ATOM 0 HB2 GLN A 126 0.994 -4.618 7.260 1.00 0.00 H new ATOM 0 HB3 GLN A 126 2.643 -5.183 7.434 1.00 0.00 H new ATOM 0 HG2 GLN A 126 2.890 -4.102 9.567 1.00 0.00 H new ATOM 0 HG3 GLN A 126 1.403 -3.198 9.360 1.00 0.00 H new ATOM 0 HE21 GLN A 126 2.796 -5.856 10.826 1.00 0.00 H new ATOM 0 HE22 GLN A 126 1.338 -6.795 11.163 1.00 0.00 H new ATOM 787 N ILE A 127 0.835 -1.363 6.542 1.00 0.00 N ATOM 788 CA ILE A 127 0.054 -0.180 6.882 1.00 0.00 C ATOM 789 C ILE A 127 -1.371 -0.557 7.274 1.00 0.00 C ATOM 790 O ILE A 127 -2.002 -1.393 6.627 1.00 0.00 O ATOM 791 CB ILE A 127 0.005 0.816 5.708 1.00 0.00 C ATOM 792 CG1 ILE A 127 1.413 1.083 5.176 1.00 0.00 C ATOM 793 CG2 ILE A 127 -0.658 2.115 6.143 1.00 0.00 C ATOM 794 CD1 ILE A 127 2.379 1.558 6.240 1.00 0.00 C ATOM 0 H ILE A 127 0.630 -1.754 5.622 1.00 0.00 H new ATOM 0 HA ILE A 127 0.548 0.293 7.730 1.00 0.00 H new ATOM 0 HB ILE A 127 -0.588 0.378 4.905 1.00 0.00 H new ATOM 0 HG12 ILE A 127 1.802 0.170 4.725 1.00 0.00 H new ATOM 0 HG13 ILE A 127 1.359 1.831 4.385 1.00 0.00 H new ATOM 0 HG21 ILE A 127 -0.685 2.809 5.303 1.00 0.00 H new ATOM 0 HG22 ILE A 127 -1.675 1.910 6.478 1.00 0.00 H new ATOM 0 HG23 ILE A 127 -0.089 2.558 6.961 1.00 0.00 H new ATOM 0 HD11 ILE A 127 3.358 1.728 5.793 1.00 0.00 H new ATOM 0 HD12 ILE A 127 2.013 2.488 6.675 1.00 0.00 H new ATOM 0 HD13 ILE A 127 2.463 0.801 7.020 1.00 0.00 H new ATOM 806 N GLU A 128 -1.871 0.067 8.335 1.00 0.00 N ATOM 807 CA GLU A 128 -3.222 -0.204 8.811 1.00 0.00 C ATOM 808 C GLU A 128 -4.211 0.811 8.247 1.00 0.00 C ATOM 809 O GLU A 128 -3.878 1.982 8.063 1.00 0.00 O ATOM 810 CB GLU A 128 -3.262 -0.175 10.341 1.00 0.00 C ATOM 811 CG GLU A 128 -2.044 -0.809 10.993 1.00 0.00 C ATOM 812 CD GLU A 128 -2.136 -0.824 12.506 1.00 0.00 C ATOM 813 OE1 GLU A 128 -2.491 0.222 13.089 1.00 0.00 O ATOM 814 OE2 GLU A 128 -1.851 -1.880 13.108 1.00 0.00 O ATOM 0 H GLU A 128 -1.362 0.762 8.881 1.00 0.00 H new ATOM 0 HA GLU A 128 -3.510 -1.197 8.465 1.00 0.00 H new ATOM 0 HB2 GLU A 128 -3.345 0.859 10.675 1.00 0.00 H new ATOM 0 HB3 GLU A 128 -4.158 -0.693 10.683 1.00 0.00 H new ATOM 0 HG2 GLU A 128 -1.932 -1.830 10.629 1.00 0.00 H new ATOM 0 HG3 GLU A 128 -1.150 -0.263 10.692 1.00 0.00 H new ATOM 821 N ALA A 129 -5.429 0.354 7.976 1.00 0.00 N ATOM 822 CA ALA A 129 -6.466 1.222 7.433 1.00 0.00 C ATOM 823 C ALA A 129 -6.846 2.312 8.430 1.00 0.00 C ATOM 824 O ALA A 129 -7.266 2.023 9.550 1.00 0.00 O ATOM 825 CB ALA A 129 -7.690 0.403 7.050 1.00 0.00 C ATOM 0 H ALA A 129 -5.722 -0.612 8.124 1.00 0.00 H new ATOM 0 HA ALA A 129 -6.072 1.706 6.539 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -8.457 1.063 6.646 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -7.413 -0.335 6.297 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -8.078 -0.106 7.932 1.00 0.00 H new ATOM 831 N ASP A 130 -6.696 3.565 8.015 1.00 0.00 N ATOM 832 CA ASP A 130 -7.023 4.698 8.872 1.00 0.00 C ATOM 833 C ASP A 130 -8.442 5.193 8.606 1.00 0.00 C ATOM 834 O ASP A 130 -8.963 6.036 9.337 1.00 0.00 O ATOM 835 CB ASP A 130 -6.024 5.836 8.652 1.00 0.00 C ATOM 836 CG ASP A 130 -5.076 6.006 9.824 1.00 0.00 C ATOM 837 OD1 ASP A 130 -5.324 5.390 10.882 1.00 0.00 O ATOM 838 OD2 ASP A 130 -4.086 6.755 9.683 1.00 0.00 O ATOM 0 H ASP A 130 -6.350 3.822 7.090 1.00 0.00 H new ATOM 0 HA ASP A 130 -6.963 4.365 9.908 1.00 0.00 H new ATOM 0 HB2 ASP A 130 -5.448 5.641 7.747 1.00 0.00 H new ATOM 0 HB3 ASP A 130 -6.567 6.767 8.489 1.00 0.00 H new ATOM 843 N LYS A 131 -9.061 4.665 7.556 1.00 0.00 N ATOM 844 CA LYS A 131 -10.420 5.055 7.194 1.00 0.00 C ATOM 845 C LYS A 131 -10.943 4.197 6.047 1.00 0.00 C ATOM 846 O LYS A 131 -10.248 3.977 5.056 1.00 0.00 O ATOM 847 CB LYS A 131 -10.462 6.534 6.803 1.00 0.00 C ATOM 848 CG LYS A 131 -10.131 6.787 5.341 1.00 0.00 C ATOM 849 CD LYS A 131 -9.550 8.176 5.132 1.00 0.00 C ATOM 850 CE LYS A 131 -10.423 9.246 5.768 1.00 0.00 C ATOM 851 NZ LYS A 131 -9.650 10.114 6.697 1.00 0.00 N ATOM 0 H LYS A 131 -8.644 3.966 6.941 1.00 0.00 H new ATOM 0 HA LYS A 131 -11.061 4.899 8.062 1.00 0.00 H new ATOM 0 HB2 LYS A 131 -11.455 6.929 7.016 1.00 0.00 H new ATOM 0 HB3 LYS A 131 -9.759 7.086 7.427 1.00 0.00 H new ATOM 0 HG2 LYS A 131 -9.419 6.038 4.993 1.00 0.00 H new ATOM 0 HG3 LYS A 131 -11.032 6.674 4.738 1.00 0.00 H new ATOM 0 HD2 LYS A 131 -8.548 8.221 5.559 1.00 0.00 H new ATOM 0 HD3 LYS A 131 -9.450 8.373 4.065 1.00 0.00 H new ATOM 0 HE2 LYS A 131 -10.872 9.860 4.987 1.00 0.00 H new ATOM 0 HE3 LYS A 131 -11.241 8.772 6.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 -10.281 10.830 7.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 -9.242 9.533 7.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 -8.885 10.587 6.175 1.00 0.00 H new ATOM 865 N SER A 132 -12.176 3.718 6.187 1.00 0.00 N ATOM 866 CA SER A 132 -12.791 2.887 5.159 1.00 0.00 C ATOM 867 C SER A 132 -12.656 3.540 3.788 1.00 0.00 C ATOM 868 O SER A 132 -13.155 4.644 3.564 1.00 0.00 O ATOM 869 CB SER A 132 -14.266 2.647 5.480 1.00 0.00 C ATOM 870 OG SER A 132 -14.990 3.866 5.501 1.00 0.00 O ATOM 0 H SER A 132 -12.767 3.891 7.000 1.00 0.00 H new ATOM 0 HA SER A 132 -12.273 1.928 5.141 1.00 0.00 H new ATOM 0 HB2 SER A 132 -14.698 1.977 4.737 1.00 0.00 H new ATOM 0 HB3 SER A 132 -14.355 2.151 6.447 1.00 0.00 H new ATOM 0 HG SER A 132 -14.547 4.520 4.921 1.00 0.00 H new ATOM 876 N GLY A 133 -11.979 2.854 2.873 1.00 0.00 N ATOM 877 CA GLY A 133 -11.791 3.388 1.538 1.00 0.00 C ATOM 878 C GLY A 133 -11.881 2.322 0.466 1.00 0.00 C ATOM 879 O GLY A 133 -12.152 1.158 0.759 1.00 0.00 O ATOM 0 H GLY A 133 -11.558 1.939 3.032 1.00 0.00 H new ATOM 0 HA2 GLY A 133 -12.543 4.154 1.348 1.00 0.00 H new ATOM 0 HA3 GLY A 133 -10.818 3.876 1.479 1.00 0.00 H new ATOM 883 N THR A 134 -11.653 2.722 -0.781 1.00 0.00 N ATOM 884 CA THR A 134 -11.711 1.795 -1.904 1.00 0.00 C ATOM 885 C THR A 134 -10.542 2.014 -2.859 1.00 0.00 C ATOM 886 O THR A 134 -10.494 3.016 -3.572 1.00 0.00 O ATOM 887 CB THR A 134 -13.025 1.970 -2.660 1.00 0.00 C ATOM 888 OG1 THR A 134 -14.127 1.932 -1.770 1.00 0.00 O ATOM 889 CG2 THR A 134 -13.251 0.913 -3.719 1.00 0.00 C ATOM 0 H THR A 134 -11.426 3.683 -1.039 1.00 0.00 H new ATOM 0 HA THR A 134 -11.649 0.782 -1.507 1.00 0.00 H new ATOM 0 HB THR A 134 -12.949 2.941 -3.150 1.00 0.00 H new ATOM 0 HG1 THR A 134 -14.959 2.048 -2.275 1.00 0.00 H new ATOM 0 HG21 THR A 134 -14.202 1.096 -4.218 1.00 0.00 H new ATOM 0 HG22 THR A 134 -12.444 0.952 -4.450 1.00 0.00 H new ATOM 0 HG23 THR A 134 -13.270 -0.072 -3.252 1.00 0.00 H new ATOM 897 N VAL A 135 -9.608 1.068 -2.881 1.00 0.00 N ATOM 898 CA VAL A 135 -8.455 1.169 -3.765 1.00 0.00 C ATOM 899 C VAL A 135 -8.902 1.521 -5.178 1.00 0.00 C ATOM 900 O VAL A 135 -9.946 1.057 -5.638 1.00 0.00 O ATOM 901 CB VAL A 135 -7.652 -0.143 -3.803 1.00 0.00 C ATOM 902 CG1 VAL A 135 -6.463 -0.008 -4.741 1.00 0.00 C ATOM 903 CG2 VAL A 135 -7.199 -0.532 -2.406 1.00 0.00 C ATOM 0 H VAL A 135 -9.627 0.229 -2.301 1.00 0.00 H new ATOM 0 HA VAL A 135 -7.813 1.957 -3.371 1.00 0.00 H new ATOM 0 HB VAL A 135 -8.298 -0.936 -4.181 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -5.904 -0.944 -4.757 1.00 0.00 H new ATOM 0 HG12 VAL A 135 -6.817 0.221 -5.746 1.00 0.00 H new ATOM 0 HG13 VAL A 135 -5.814 0.796 -4.393 1.00 0.00 H new ATOM 0 HG21 VAL A 135 -6.633 -1.462 -2.453 1.00 0.00 H new ATOM 0 HG22 VAL A 135 -6.568 0.256 -1.995 1.00 0.00 H new ATOM 0 HG23 VAL A 135 -8.071 -0.670 -1.766 1.00 0.00 H new ATOM 913 N LYS A 136 -8.124 2.350 -5.862 1.00 0.00 N ATOM 914 CA LYS A 136 -8.471 2.761 -7.214 1.00 0.00 C ATOM 915 C LYS A 136 -7.327 2.514 -8.189 1.00 0.00 C ATOM 916 O LYS A 136 -7.539 2.454 -9.400 1.00 0.00 O ATOM 917 CB LYS A 136 -8.861 4.236 -7.221 1.00 0.00 C ATOM 918 CG LYS A 136 -10.127 4.523 -6.434 1.00 0.00 C ATOM 919 CD LYS A 136 -10.395 6.013 -6.333 1.00 0.00 C ATOM 920 CE LYS A 136 -10.907 6.579 -7.648 1.00 0.00 C ATOM 921 NZ LYS A 136 -11.522 7.924 -7.472 1.00 0.00 N ATOM 0 H LYS A 136 -7.255 2.748 -5.505 1.00 0.00 H new ATOM 0 HA LYS A 136 -9.318 2.158 -7.542 1.00 0.00 H new ATOM 0 HB2 LYS A 136 -8.042 4.824 -6.806 1.00 0.00 H new ATOM 0 HB3 LYS A 136 -8.999 4.564 -8.251 1.00 0.00 H new ATOM 0 HG2 LYS A 136 -10.974 4.032 -6.914 1.00 0.00 H new ATOM 0 HG3 LYS A 136 -10.038 4.100 -5.433 1.00 0.00 H new ATOM 0 HD2 LYS A 136 -11.126 6.199 -5.546 1.00 0.00 H new ATOM 0 HD3 LYS A 136 -9.479 6.530 -6.046 1.00 0.00 H new ATOM 0 HE2 LYS A 136 -10.084 6.647 -8.359 1.00 0.00 H new ATOM 0 HE3 LYS A 136 -11.642 5.897 -8.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 -11.397 8.480 -8.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 -12.537 7.818 -7.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 -11.062 8.415 -6.679 1.00 0.00 H new ATOM 935 N ALA A 137 -6.112 2.373 -7.666 1.00 0.00 N ATOM 936 CA ALA A 137 -4.956 2.137 -8.518 1.00 0.00 C ATOM 937 C ALA A 137 -3.656 2.163 -7.726 1.00 0.00 C ATOM 938 O ALA A 137 -3.605 2.673 -6.607 1.00 0.00 O ATOM 939 CB ALA A 137 -4.918 3.172 -9.628 1.00 0.00 C ATOM 0 H ALA A 137 -5.906 2.418 -6.668 1.00 0.00 H new ATOM 0 HA ALA A 137 -5.054 1.141 -8.951 1.00 0.00 H new ATOM 0 HB1 ALA A 137 -4.051 2.992 -10.264 1.00 0.00 H new ATOM 0 HB2 ALA A 137 -5.827 3.099 -10.225 1.00 0.00 H new ATOM 0 HB3 ALA A 137 -4.848 4.169 -9.193 1.00 0.00 H new ATOM 945 N ILE A 138 -2.603 1.612 -8.323 1.00 0.00 N ATOM 946 CA ILE A 138 -1.294 1.572 -7.687 1.00 0.00 C ATOM 947 C ILE A 138 -0.280 2.381 -8.487 1.00 0.00 C ATOM 948 O ILE A 138 0.510 1.826 -9.251 1.00 0.00 O ATOM 949 CB ILE A 138 -0.780 0.125 -7.546 1.00 0.00 C ATOM 950 CG1 ILE A 138 -1.945 -0.865 -7.596 1.00 0.00 C ATOM 951 CG2 ILE A 138 0.002 -0.035 -6.251 1.00 0.00 C ATOM 952 CD1 ILE A 138 -3.002 -0.609 -6.544 1.00 0.00 C ATOM 0 H ILE A 138 -2.633 1.186 -9.249 1.00 0.00 H new ATOM 0 HA ILE A 138 -1.408 2.006 -6.694 1.00 0.00 H new ATOM 0 HB ILE A 138 -0.113 -0.089 -8.381 1.00 0.00 H new ATOM 0 HG12 ILE A 138 -2.407 -0.820 -8.582 1.00 0.00 H new ATOM 0 HG13 ILE A 138 -1.557 -1.876 -7.471 1.00 0.00 H new ATOM 0 HG21 ILE A 138 0.358 -1.062 -6.166 1.00 0.00 H new ATOM 0 HG22 ILE A 138 0.853 0.646 -6.254 1.00 0.00 H new ATOM 0 HG23 ILE A 138 -0.645 0.196 -5.405 1.00 0.00 H new ATOM 0 HD11 ILE A 138 -3.797 -1.349 -6.639 1.00 0.00 H new ATOM 0 HD12 ILE A 138 -2.554 -0.683 -5.553 1.00 0.00 H new ATOM 0 HD13 ILE A 138 -3.417 0.389 -6.681 1.00 0.00 H new ATOM 964 N LEU A 139 -0.309 3.697 -8.309 1.00 0.00 N ATOM 965 CA LEU A 139 0.605 4.584 -9.017 1.00 0.00 C ATOM 966 C LEU A 139 2.038 4.071 -8.927 1.00 0.00 C ATOM 967 O LEU A 139 2.880 4.397 -9.764 1.00 0.00 O ATOM 968 CB LEU A 139 0.521 6.002 -8.448 1.00 0.00 C ATOM 969 CG LEU A 139 -0.884 6.607 -8.427 1.00 0.00 C ATOM 970 CD1 LEU A 139 -0.811 8.115 -8.247 1.00 0.00 C ATOM 971 CD2 LEU A 139 -1.633 6.256 -9.703 1.00 0.00 C ATOM 0 H LEU A 139 -0.956 4.173 -7.680 1.00 0.00 H new ATOM 0 HA LEU A 139 0.310 4.605 -10.066 1.00 0.00 H new ATOM 0 HB2 LEU A 139 0.912 5.993 -7.431 1.00 0.00 H new ATOM 0 HB3 LEU A 139 1.172 6.652 -9.034 1.00 0.00 H new ATOM 0 HG LEU A 139 -1.429 6.186 -7.582 1.00 0.00 H new ATOM 0 HD11 LEU A 139 -1.819 8.529 -8.234 1.00 0.00 H new ATOM 0 HD12 LEU A 139 -0.312 8.345 -7.306 1.00 0.00 H new ATOM 0 HD13 LEU A 139 -0.249 8.553 -9.072 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -2.631 6.694 -9.672 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -1.091 6.649 -10.563 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -1.715 5.173 -9.790 1.00 0.00 H new ATOM 983 N VAL A 140 2.309 3.269 -7.903 1.00 0.00 N ATOM 984 CA VAL A 140 3.638 2.711 -7.702 1.00 0.00 C ATOM 985 C VAL A 140 3.663 1.221 -8.012 1.00 0.00 C ATOM 986 O VAL A 140 2.709 0.500 -7.718 1.00 0.00 O ATOM 987 CB VAL A 140 4.118 2.918 -6.255 1.00 0.00 C ATOM 988 CG1 VAL A 140 5.393 2.127 -5.999 1.00 0.00 C ATOM 989 CG2 VAL A 140 4.333 4.397 -5.968 1.00 0.00 C ATOM 0 H VAL A 140 1.624 2.992 -7.200 1.00 0.00 H new ATOM 0 HA VAL A 140 4.305 3.237 -8.385 1.00 0.00 H new ATOM 0 HB VAL A 140 3.346 2.550 -5.579 1.00 0.00 H new ATOM 0 HG11 VAL A 140 5.719 2.285 -4.971 1.00 0.00 H new ATOM 0 HG12 VAL A 140 5.202 1.066 -6.160 1.00 0.00 H new ATOM 0 HG13 VAL A 140 6.173 2.463 -6.682 1.00 0.00 H new ATOM 0 HG21 VAL A 140 4.672 4.523 -4.940 1.00 0.00 H new ATOM 0 HG22 VAL A 140 5.085 4.794 -6.649 1.00 0.00 H new ATOM 0 HG23 VAL A 140 3.396 4.935 -6.109 1.00 0.00 H new ATOM 999 N GLU A 141 4.765 0.762 -8.591 1.00 0.00 N ATOM 1000 CA GLU A 141 4.912 -0.647 -8.922 1.00 0.00 C ATOM 1001 C GLU A 141 4.802 -1.491 -7.659 1.00 0.00 C ATOM 1002 O GLU A 141 5.369 -1.148 -6.622 1.00 0.00 O ATOM 1003 CB GLU A 141 6.254 -0.897 -9.612 1.00 0.00 C ATOM 1004 CG GLU A 141 6.145 -1.014 -11.123 1.00 0.00 C ATOM 1005 CD GLU A 141 7.499 -1.074 -11.803 1.00 0.00 C ATOM 1006 OE1 GLU A 141 8.067 -2.183 -11.897 1.00 0.00 O ATOM 1007 OE2 GLU A 141 7.991 -0.013 -12.241 1.00 0.00 O ATOM 0 H GLU A 141 5.566 1.343 -8.840 1.00 0.00 H new ATOM 0 HA GLU A 141 4.114 -0.931 -9.608 1.00 0.00 H new ATOM 0 HB2 GLU A 141 6.937 -0.084 -9.367 1.00 0.00 H new ATOM 0 HB3 GLU A 141 6.693 -1.812 -9.215 1.00 0.00 H new ATOM 0 HG2 GLU A 141 5.577 -1.909 -11.374 1.00 0.00 H new ATOM 0 HG3 GLU A 141 5.586 -0.162 -11.510 1.00 0.00 H new ATOM 1014 N SER A 142 4.057 -2.586 -7.751 1.00 0.00 N ATOM 1015 CA SER A 142 3.851 -3.479 -6.615 1.00 0.00 C ATOM 1016 C SER A 142 5.051 -3.486 -5.675 1.00 0.00 C ATOM 1017 O SER A 142 4.939 -3.096 -4.516 1.00 0.00 O ATOM 1018 CB SER A 142 3.575 -4.899 -7.097 1.00 0.00 C ATOM 1019 OG SER A 142 3.882 -5.042 -8.473 1.00 0.00 O ATOM 0 H SER A 142 3.583 -2.879 -8.605 1.00 0.00 H new ATOM 0 HA SER A 142 2.988 -3.105 -6.064 1.00 0.00 H new ATOM 0 HB2 SER A 142 4.167 -5.605 -6.514 1.00 0.00 H new ATOM 0 HB3 SER A 142 2.527 -5.146 -6.928 1.00 0.00 H new ATOM 0 HG SER A 142 3.697 -5.962 -8.755 1.00 0.00 H new ATOM 1025 N GLY A 143 6.195 -3.942 -6.175 1.00 0.00 N ATOM 1026 CA GLY A 143 7.385 -3.999 -5.354 1.00 0.00 C ATOM 1027 C GLY A 143 8.551 -3.248 -5.951 1.00 0.00 C ATOM 1028 O GLY A 143 9.202 -3.727 -6.880 1.00 0.00 O ATOM 0 H GLY A 143 6.317 -4.272 -7.132 1.00 0.00 H new ATOM 0 HA2 GLY A 143 7.161 -3.588 -4.370 1.00 0.00 H new ATOM 0 HA3 GLY A 143 7.668 -5.041 -5.207 1.00 0.00 H new ATOM 1032 N GLN A 144 8.821 -2.069 -5.408 1.00 0.00 N ATOM 1033 CA GLN A 144 9.924 -1.248 -5.885 1.00 0.00 C ATOM 1034 C GLN A 144 10.178 -0.069 -4.949 1.00 0.00 C ATOM 1035 O GLN A 144 9.248 0.484 -4.362 1.00 0.00 O ATOM 1036 CB GLN A 144 9.638 -0.740 -7.300 1.00 0.00 C ATOM 1037 CG GLN A 144 8.688 0.447 -7.343 1.00 0.00 C ATOM 1038 CD GLN A 144 9.205 1.577 -8.213 1.00 0.00 C ATOM 1039 OE1 GLN A 144 9.045 1.436 -9.524 1.00 0.00 O flip ATOM 1040 NE2 GLN A 144 9.742 2.565 -7.712 1.00 0.00 N flip ATOM 0 H GLN A 144 8.292 -1.660 -4.638 1.00 0.00 H new ATOM 0 HA GLN A 144 10.819 -1.869 -5.904 1.00 0.00 H new ATOM 0 HB2 GLN A 144 10.579 -0.458 -7.772 1.00 0.00 H new ATOM 0 HB3 GLN A 144 9.216 -1.553 -7.890 1.00 0.00 H new ATOM 0 HG2 GLN A 144 7.719 0.119 -7.719 1.00 0.00 H new ATOM 0 HG3 GLN A 144 8.529 0.817 -6.330 1.00 0.00 H new ATOM 0 HE21 GLN A 144 9.844 2.632 -6.699 1.00 0.00 H new ATOM 0 HE22 GLN A 144 10.085 3.317 -8.310 1.00 0.00 H new ATOM 1049 N PRO A 145 11.450 0.331 -4.806 1.00 0.00 N ATOM 1050 CA PRO A 145 11.837 1.452 -3.943 1.00 0.00 C ATOM 1051 C PRO A 145 11.117 2.742 -4.322 1.00 0.00 C ATOM 1052 O PRO A 145 10.863 2.998 -5.499 1.00 0.00 O ATOM 1053 CB PRO A 145 13.344 1.592 -4.183 1.00 0.00 C ATOM 1054 CG PRO A 145 13.776 0.262 -4.698 1.00 0.00 C ATOM 1055 CD PRO A 145 12.610 -0.278 -5.476 1.00 0.00 C ATOM 0 HA PRO A 145 11.577 1.271 -2.900 1.00 0.00 H new ATOM 0 HB2 PRO A 145 13.558 2.383 -4.902 1.00 0.00 H new ATOM 0 HB3 PRO A 145 13.868 1.848 -3.263 1.00 0.00 H new ATOM 0 HG2 PRO A 145 14.658 0.356 -5.332 1.00 0.00 H new ATOM 0 HG3 PRO A 145 14.042 -0.406 -3.879 1.00 0.00 H new ATOM 0 HD2 PRO A 145 12.662 0.004 -6.528 1.00 0.00 H new ATOM 0 HD3 PRO A 145 12.571 -1.367 -5.440 1.00 0.00 H new ATOM 1063 N VAL A 146 10.789 3.550 -3.319 1.00 0.00 N ATOM 1064 CA VAL A 146 10.097 4.811 -3.552 1.00 0.00 C ATOM 1065 C VAL A 146 10.702 5.934 -2.718 1.00 0.00 C ATOM 1066 O VAL A 146 11.717 5.747 -2.048 1.00 0.00 O ATOM 1067 CB VAL A 146 8.597 4.695 -3.222 1.00 0.00 C ATOM 1068 CG1 VAL A 146 7.816 4.224 -4.439 1.00 0.00 C ATOM 1069 CG2 VAL A 146 8.384 3.757 -2.045 1.00 0.00 C ATOM 0 H VAL A 146 10.991 3.354 -2.339 1.00 0.00 H new ATOM 0 HA VAL A 146 10.214 5.045 -4.610 1.00 0.00 H new ATOM 0 HB VAL A 146 8.226 5.681 -2.944 1.00 0.00 H new ATOM 0 HG11 VAL A 146 6.759 4.148 -4.186 1.00 0.00 H new ATOM 0 HG12 VAL A 146 7.944 4.938 -5.252 1.00 0.00 H new ATOM 0 HG13 VAL A 146 8.185 3.247 -4.752 1.00 0.00 H new ATOM 0 HG21 VAL A 146 7.319 3.686 -1.824 1.00 0.00 H new ATOM 0 HG22 VAL A 146 8.770 2.768 -2.293 1.00 0.00 H new ATOM 0 HG23 VAL A 146 8.910 4.143 -1.172 1.00 0.00 H new ATOM 1079 N GLU A 147 10.070 7.103 -2.764 1.00 0.00 N ATOM 1080 CA GLU A 147 10.543 8.258 -2.012 1.00 0.00 C ATOM 1081 C GLU A 147 9.373 9.083 -1.488 1.00 0.00 C ATOM 1082 O GLU A 147 8.355 9.233 -2.163 1.00 0.00 O ATOM 1083 CB GLU A 147 11.445 9.130 -2.888 1.00 0.00 C ATOM 1084 CG GLU A 147 12.875 9.226 -2.383 1.00 0.00 C ATOM 1085 CD GLU A 147 13.048 10.304 -1.329 1.00 0.00 C ATOM 1086 OE1 GLU A 147 12.046 10.662 -0.676 1.00 0.00 O ATOM 1087 OE2 GLU A 147 14.185 10.791 -1.160 1.00 0.00 O ATOM 0 H GLU A 147 9.229 7.274 -3.315 1.00 0.00 H new ATOM 0 HA GLU A 147 11.118 7.894 -1.160 1.00 0.00 H new ATOM 0 HB2 GLU A 147 11.453 8.727 -3.901 1.00 0.00 H new ATOM 0 HB3 GLU A 147 11.021 10.133 -2.947 1.00 0.00 H new ATOM 0 HG2 GLU A 147 13.175 8.264 -1.967 1.00 0.00 H new ATOM 0 HG3 GLU A 147 13.540 9.432 -3.222 1.00 0.00 H new ATOM 1094 N PHE A 148 9.527 9.614 -0.278 1.00 0.00 N ATOM 1095 CA PHE A 148 8.484 10.426 0.342 1.00 0.00 C ATOM 1096 C PHE A 148 7.736 11.250 -0.703 1.00 0.00 C ATOM 1097 O PHE A 148 8.347 11.934 -1.524 1.00 0.00 O ATOM 1098 CB PHE A 148 9.094 11.353 1.396 1.00 0.00 C ATOM 1099 CG PHE A 148 8.157 12.428 1.867 1.00 0.00 C ATOM 1100 CD1 PHE A 148 6.806 12.158 2.053 1.00 0.00 C ATOM 1101 CD2 PHE A 148 8.625 13.712 2.125 1.00 0.00 C ATOM 1102 CE1 PHE A 148 5.939 13.147 2.488 1.00 0.00 C ATOM 1103 CE2 PHE A 148 7.763 14.706 2.559 1.00 0.00 C ATOM 1104 CZ PHE A 148 6.418 14.423 2.741 1.00 0.00 C ATOM 0 H PHE A 148 10.364 9.497 0.293 1.00 0.00 H new ATOM 0 HA PHE A 148 7.773 9.753 0.822 1.00 0.00 H new ATOM 0 HB2 PHE A 148 9.410 10.757 2.252 1.00 0.00 H new ATOM 0 HB3 PHE A 148 9.989 11.818 0.984 1.00 0.00 H new ATOM 0 HD1 PHE A 148 6.428 11.166 1.856 1.00 0.00 H new ATOM 0 HD2 PHE A 148 9.672 13.937 1.985 1.00 0.00 H new ATOM 0 HE1 PHE A 148 4.892 12.924 2.630 1.00 0.00 H new ATOM 0 HE2 PHE A 148 8.138 15.700 2.755 1.00 0.00 H new ATOM 0 HZ PHE A 148 5.744 15.196 3.080 1.00 0.00 H new ATOM 1114 N ASP A 149 6.408 11.177 -0.668 1.00 0.00 N ATOM 1115 CA ASP A 149 5.574 11.913 -1.612 1.00 0.00 C ATOM 1116 C ASP A 149 5.442 11.155 -2.927 1.00 0.00 C ATOM 1117 O ASP A 149 5.170 11.745 -3.972 1.00 0.00 O ATOM 1118 CB ASP A 149 6.159 13.304 -1.867 1.00 0.00 C ATOM 1119 CG ASP A 149 5.088 14.341 -2.138 1.00 0.00 C ATOM 1120 OD1 ASP A 149 4.558 14.366 -3.269 1.00 0.00 O ATOM 1121 OD2 ASP A 149 4.776 15.128 -1.220 1.00 0.00 O ATOM 0 H ASP A 149 5.887 10.615 0.005 1.00 0.00 H new ATOM 0 HA ASP A 149 4.582 12.020 -1.174 1.00 0.00 H new ATOM 0 HB2 ASP A 149 6.748 13.611 -1.003 1.00 0.00 H new ATOM 0 HB3 ASP A 149 6.840 13.258 -2.717 1.00 0.00 H new ATOM 1126 N GLU A 150 5.637 9.843 -2.866 1.00 0.00 N ATOM 1127 CA GLU A 150 5.537 9.000 -4.051 1.00 0.00 C ATOM 1128 C GLU A 150 4.294 8.120 -3.987 1.00 0.00 C ATOM 1129 O GLU A 150 4.385 6.915 -3.749 1.00 0.00 O ATOM 1130 CB GLU A 150 6.787 8.130 -4.190 1.00 0.00 C ATOM 1131 CG GLU A 150 7.923 8.812 -4.933 1.00 0.00 C ATOM 1132 CD GLU A 150 7.607 9.037 -6.399 1.00 0.00 C ATOM 1133 OE1 GLU A 150 6.609 8.466 -6.886 1.00 0.00 O ATOM 1134 OE2 GLU A 150 8.356 9.787 -7.060 1.00 0.00 O ATOM 0 H GLU A 150 5.865 9.340 -2.009 1.00 0.00 H new ATOM 0 HA GLU A 150 5.456 9.648 -4.923 1.00 0.00 H new ATOM 0 HB2 GLU A 150 7.133 7.845 -3.197 1.00 0.00 H new ATOM 0 HB3 GLU A 150 6.523 7.210 -4.712 1.00 0.00 H new ATOM 0 HG2 GLU A 150 8.138 9.770 -4.460 1.00 0.00 H new ATOM 0 HG3 GLU A 150 8.824 8.205 -4.848 1.00 0.00 H new ATOM 1141 N PRO A 151 3.111 8.714 -4.206 1.00 0.00 N ATOM 1142 CA PRO A 151 1.846 7.990 -4.183 1.00 0.00 C ATOM 1143 C PRO A 151 1.991 6.563 -4.701 1.00 0.00 C ATOM 1144 O PRO A 151 2.507 6.340 -5.796 1.00 0.00 O ATOM 1145 CB PRO A 151 0.978 8.828 -5.113 1.00 0.00 C ATOM 1146 CG PRO A 151 1.455 10.230 -4.902 1.00 0.00 C ATOM 1147 CD PRO A 151 2.913 10.142 -4.508 1.00 0.00 C ATOM 0 HA PRO A 151 1.437 7.875 -3.179 1.00 0.00 H new ATOM 0 HB2 PRO A 151 1.096 8.520 -6.152 1.00 0.00 H new ATOM 0 HB3 PRO A 151 -0.079 8.727 -4.869 1.00 0.00 H new ATOM 0 HG2 PRO A 151 1.335 10.820 -5.811 1.00 0.00 H new ATOM 0 HG3 PRO A 151 0.873 10.723 -4.123 1.00 0.00 H new ATOM 0 HD2 PRO A 151 3.566 10.474 -5.315 1.00 0.00 H new ATOM 0 HD3 PRO A 151 3.132 10.768 -3.643 1.00 0.00 H new ATOM 1155 N LEU A 152 1.547 5.600 -3.900 1.00 0.00 N ATOM 1156 CA LEU A 152 1.645 4.194 -4.273 1.00 0.00 C ATOM 1157 C LEU A 152 0.270 3.547 -4.389 1.00 0.00 C ATOM 1158 O LEU A 152 -0.165 3.180 -5.481 1.00 0.00 O ATOM 1159 CB LEU A 152 2.486 3.429 -3.245 1.00 0.00 C ATOM 1160 CG LEU A 152 3.496 4.272 -2.464 1.00 0.00 C ATOM 1161 CD1 LEU A 152 3.389 3.983 -0.975 1.00 0.00 C ATOM 1162 CD2 LEU A 152 4.909 4.005 -2.959 1.00 0.00 C ATOM 0 H LEU A 152 1.117 5.767 -2.990 1.00 0.00 H new ATOM 0 HA LEU A 152 2.128 4.147 -5.249 1.00 0.00 H new ATOM 0 HB2 LEU A 152 1.813 2.949 -2.535 1.00 0.00 H new ATOM 0 HB3 LEU A 152 3.024 2.634 -3.761 1.00 0.00 H new ATOM 0 HG LEU A 152 3.268 5.325 -2.629 1.00 0.00 H new ATOM 0 HD11 LEU A 152 4.114 4.591 -0.433 1.00 0.00 H new ATOM 0 HD12 LEU A 152 2.384 4.223 -0.629 1.00 0.00 H new ATOM 0 HD13 LEU A 152 3.592 2.928 -0.794 1.00 0.00 H new ATOM 0 HD21 LEU A 152 5.614 4.613 -2.392 1.00 0.00 H new ATOM 0 HD22 LEU A 152 5.149 2.950 -2.824 1.00 0.00 H new ATOM 0 HD23 LEU A 152 4.978 4.260 -4.017 1.00 0.00 H new ATOM 1174 N VAL A 153 -0.403 3.399 -3.254 1.00 0.00 N ATOM 1175 CA VAL A 153 -1.719 2.782 -3.217 1.00 0.00 C ATOM 1176 C VAL A 153 -2.821 3.828 -3.086 1.00 0.00 C ATOM 1177 O VAL A 153 -3.020 4.410 -2.020 1.00 0.00 O ATOM 1178 CB VAL A 153 -1.827 1.778 -2.051 1.00 0.00 C ATOM 1179 CG1 VAL A 153 -1.160 2.338 -0.806 1.00 0.00 C ATOM 1180 CG2 VAL A 153 -3.281 1.421 -1.774 1.00 0.00 C ATOM 0 H VAL A 153 -0.055 3.700 -2.344 1.00 0.00 H new ATOM 0 HA VAL A 153 -1.849 2.251 -4.160 1.00 0.00 H new ATOM 0 HB VAL A 153 -1.307 0.863 -2.337 1.00 0.00 H new ATOM 0 HG11 VAL A 153 -1.245 1.618 0.008 1.00 0.00 H new ATOM 0 HG12 VAL A 153 -0.107 2.530 -1.012 1.00 0.00 H new ATOM 0 HG13 VAL A 153 -1.649 3.269 -0.519 1.00 0.00 H new ATOM 0 HG21 VAL A 153 -3.330 0.712 -0.948 1.00 0.00 H new ATOM 0 HG22 VAL A 153 -3.833 2.323 -1.511 1.00 0.00 H new ATOM 0 HG23 VAL A 153 -3.721 0.972 -2.664 1.00 0.00 H new ATOM 1190 N VAL A 154 -3.533 4.054 -4.181 1.00 0.00 N ATOM 1191 CA VAL A 154 -4.624 5.020 -4.204 1.00 0.00 C ATOM 1192 C VAL A 154 -5.937 4.373 -3.780 1.00 0.00 C ATOM 1193 O VAL A 154 -6.313 3.315 -4.287 1.00 0.00 O ATOM 1194 CB VAL A 154 -4.803 5.633 -5.603 1.00 0.00 C ATOM 1195 CG1 VAL A 154 -5.662 6.887 -5.533 1.00 0.00 C ATOM 1196 CG2 VAL A 154 -3.451 5.934 -6.230 1.00 0.00 C ATOM 0 H VAL A 154 -3.374 3.579 -5.070 1.00 0.00 H new ATOM 0 HA VAL A 154 -4.361 5.809 -3.499 1.00 0.00 H new ATOM 0 HB VAL A 154 -5.316 4.908 -6.235 1.00 0.00 H new ATOM 0 HG11 VAL A 154 -5.777 7.306 -6.533 1.00 0.00 H new ATOM 0 HG12 VAL A 154 -6.643 6.634 -5.131 1.00 0.00 H new ATOM 0 HG13 VAL A 154 -5.182 7.621 -4.885 1.00 0.00 H new ATOM 0 HG21 VAL A 154 -3.597 6.367 -7.219 1.00 0.00 H new ATOM 0 HG22 VAL A 154 -2.908 6.640 -5.602 1.00 0.00 H new ATOM 0 HG23 VAL A 154 -2.878 5.011 -6.319 1.00 0.00 H new ATOM 1206 N ILE A 155 -6.630 5.015 -2.844 1.00 0.00 N ATOM 1207 CA ILE A 155 -7.900 4.503 -2.345 1.00 0.00 C ATOM 1208 C ILE A 155 -8.958 5.602 -2.297 1.00 0.00 C ATOM 1209 O ILE A 155 -8.708 6.695 -1.790 1.00 0.00 O ATOM 1210 CB ILE A 155 -7.737 3.898 -0.937 1.00 0.00 C ATOM 1211 CG1 ILE A 155 -6.830 2.667 -0.990 1.00 0.00 C ATOM 1212 CG2 ILE A 155 -9.092 3.537 -0.349 1.00 0.00 C ATOM 1213 CD1 ILE A 155 -6.499 2.100 0.373 1.00 0.00 C ATOM 0 H ILE A 155 -6.332 5.892 -2.416 1.00 0.00 H new ATOM 0 HA ILE A 155 -8.225 3.725 -3.036 1.00 0.00 H new ATOM 0 HB ILE A 155 -7.273 4.644 -0.292 1.00 0.00 H new ATOM 0 HG12 ILE A 155 -7.314 1.895 -1.588 1.00 0.00 H new ATOM 0 HG13 ILE A 155 -5.903 2.930 -1.500 1.00 0.00 H new ATOM 0 HG21 ILE A 155 -8.956 3.111 0.645 1.00 0.00 H new ATOM 0 HG22 ILE A 155 -9.708 4.433 -0.279 1.00 0.00 H new ATOM 0 HG23 ILE A 155 -9.585 2.807 -0.992 1.00 0.00 H new ATOM 0 HD11 ILE A 155 -5.853 1.230 0.258 1.00 0.00 H new ATOM 0 HD12 ILE A 155 -5.986 2.857 0.967 1.00 0.00 H new ATOM 0 HD13 ILE A 155 -7.419 1.805 0.877 1.00 0.00 H new ATOM 1225 N GLU A 156 -10.143 5.304 -2.826 1.00 0.00 N ATOM 1226 CA GLU A 156 -11.236 6.269 -2.839 1.00 0.00 C ATOM 1227 C GLU A 156 -12.472 5.684 -3.513 1.00 0.00 C ATOM 1228 O GLU A 156 -12.341 4.638 -4.183 1.00 0.00 O ATOM 1229 CB GLU A 156 -10.805 7.553 -3.553 1.00 0.00 C ATOM 1230 CG GLU A 156 -11.968 8.389 -4.061 1.00 0.00 C ATOM 1231 CD GLU A 156 -11.542 9.781 -4.488 1.00 0.00 C ATOM 1232 OE1 GLU A 156 -10.826 9.897 -5.504 1.00 0.00 O ATOM 1233 OE2 GLU A 156 -11.923 10.754 -3.804 1.00 0.00 O ATOM 1234 OXT GLU A 156 -13.562 6.276 -3.366 1.00 0.00 O ATOM 0 H GLU A 156 -10.369 4.404 -3.250 1.00 0.00 H new ATOM 0 HA GLU A 156 -11.489 6.507 -1.806 1.00 0.00 H new ATOM 0 HB2 GLU A 156 -10.207 8.156 -2.869 1.00 0.00 H new ATOM 0 HB3 GLU A 156 -10.162 7.293 -4.394 1.00 0.00 H new ATOM 0 HG2 GLU A 156 -12.435 7.881 -4.905 1.00 0.00 H new ATOM 0 HG3 GLU A 156 -12.723 8.468 -3.279 1.00 0.00 H new