USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=13 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= -3.68! K(o=-3.7!,f=-2.4) USER MOD Single : A 85 SER OG : rot -43:sc= 0.351 USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= -1.81! USER MOD Single : A 92 TYR OH : rot 15:sc= -0.304 USER MOD Single : A 94 THR OG1 : rot 40:sc= 0.286 USER MOD Single : A 96 SER OG : rot 180:sc= -0.399 USER MOD Single : A 100 LYS NZ :NH3+ -116:sc= -1.58! (180deg=-3.23!) USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=-0.00069) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 ASN : amide:sc= -0.783 K(o=-0.78,f=-1.8!) USER MOD Single : A 114 THR OG1 : rot -54:sc= 0.0359 USER MOD Single : A 116 CYS SG : rot 136:sc= -5.63! USER MOD Single : A 121 MET CE :methyl 173:sc= 0 (180deg=-0.0649) USER MOD Single : A 122 LYS NZ :NH3+ 176:sc= 0.826! (180deg=0.595!) USER MOD Single : A 123 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 125 ASN : amide:sc= -0.146 X(o=-0.15,f=-0.023) USER MOD Single : A 126 GLN : amide:sc= -2.04! C(o=-2!,f=-1.6!) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 SER OG : rot 43:sc= 0.0169 USER MOD Single : A 134 THR OG1 : rot 180:sc=-0.00521 USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 SER OG : rot 180:sc= 0.0716 USER MOD Single : A 144 GLN : amide:sc= 0.0673! K(o=0.067!,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 66 N GLY A 80 -10.571 11.247 -1.969 1.00 0.00 N ATOM 67 CA GLY A 80 -9.448 10.387 -2.290 1.00 0.00 C ATOM 68 C GLY A 80 -8.706 9.923 -1.053 1.00 0.00 C ATOM 69 O GLY A 80 -9.129 10.194 0.071 1.00 0.00 O ATOM 0 HA2 GLY A 80 -9.805 9.519 -2.844 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -8.760 10.921 -2.945 1.00 0.00 H new ATOM 73 N HIS A 81 -7.596 9.222 -1.257 1.00 0.00 N ATOM 74 CA HIS A 81 -6.797 8.720 -0.146 1.00 0.00 C ATOM 75 C HIS A 81 -5.644 7.861 -0.649 1.00 0.00 C ATOM 76 O HIS A 81 -5.735 6.634 -0.668 1.00 0.00 O ATOM 77 CB HIS A 81 -7.668 7.906 0.813 1.00 0.00 C ATOM 78 CG HIS A 81 -6.891 7.256 1.916 1.00 0.00 C ATOM 79 ND1 HIS A 81 -6.851 7.753 3.203 1.00 0.00 N ATOM 80 CD2 HIS A 81 -6.117 6.141 1.923 1.00 0.00 C ATOM 81 CE1 HIS A 81 -6.088 6.975 3.950 1.00 0.00 C ATOM 82 NE2 HIS A 81 -5.632 5.990 3.198 1.00 0.00 N ATOM 0 H HIS A 81 -7.230 8.989 -2.180 1.00 0.00 H new ATOM 0 HA HIS A 81 -6.385 9.578 0.386 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -8.425 8.559 1.248 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -8.196 7.137 0.249 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -5.920 5.493 1.082 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -5.873 7.120 4.998 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -5.019 5.239 3.514 1.00 0.00 H new ATOM 91 N ILE A 82 -4.560 8.510 -1.052 1.00 0.00 N ATOM 92 CA ILE A 82 -3.392 7.799 -1.549 1.00 0.00 C ATOM 93 C ILE A 82 -2.336 7.663 -0.465 1.00 0.00 C ATOM 94 O ILE A 82 -1.882 8.654 0.108 1.00 0.00 O ATOM 95 CB ILE A 82 -2.778 8.498 -2.772 1.00 0.00 C ATOM 96 CG1 ILE A 82 -3.867 8.802 -3.796 1.00 0.00 C ATOM 97 CG2 ILE A 82 -1.694 7.628 -3.389 1.00 0.00 C ATOM 98 CD1 ILE A 82 -3.332 9.293 -5.124 1.00 0.00 C ATOM 0 H ILE A 82 -4.466 9.526 -1.044 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.731 6.808 -1.850 1.00 0.00 H new ATOM 0 HB ILE A 82 -2.324 9.436 -2.453 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -4.458 7.902 -3.963 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -4.540 9.554 -3.385 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -1.268 8.136 -4.254 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -0.911 7.446 -2.653 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -2.125 6.677 -3.702 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -4.163 9.489 -5.801 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -2.765 10.211 -4.971 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.682 8.533 -5.558 1.00 0.00 H new ATOM 110 N VAL A 83 -1.955 6.427 -0.185 1.00 0.00 N ATOM 111 CA VAL A 83 -0.954 6.147 0.838 1.00 0.00 C ATOM 112 C VAL A 83 0.451 6.462 0.339 1.00 0.00 C ATOM 113 O VAL A 83 1.324 5.593 0.325 1.00 0.00 O ATOM 114 CB VAL A 83 -1.008 4.677 1.291 1.00 0.00 C ATOM 115 CG1 VAL A 83 -0.449 4.532 2.697 1.00 0.00 C ATOM 116 CG2 VAL A 83 -2.433 4.147 1.219 1.00 0.00 C ATOM 0 H VAL A 83 -2.323 5.598 -0.652 1.00 0.00 H new ATOM 0 HA VAL A 83 -1.186 6.790 1.687 1.00 0.00 H new ATOM 0 HB VAL A 83 -0.391 4.085 0.616 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -0.495 3.486 3.001 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.587 4.869 2.713 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -1.038 5.136 3.387 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -2.451 3.106 1.543 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -3.075 4.741 1.869 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.795 4.214 0.193 1.00 0.00 H new ATOM 126 N ARG A 84 0.664 7.709 -0.073 1.00 0.00 N ATOM 127 CA ARG A 84 1.969 8.137 -0.575 1.00 0.00 C ATOM 128 C ARG A 84 3.093 7.440 0.182 1.00 0.00 C ATOM 129 O ARG A 84 3.217 7.580 1.399 1.00 0.00 O ATOM 130 CB ARG A 84 2.138 9.659 -0.467 1.00 0.00 C ATOM 131 CG ARG A 84 0.972 10.373 0.196 1.00 0.00 C ATOM 132 CD ARG A 84 1.191 11.877 0.237 1.00 0.00 C ATOM 133 NE ARG A 84 1.645 12.398 -1.050 1.00 0.00 N ATOM 134 CZ ARG A 84 2.103 13.634 -1.225 1.00 0.00 C ATOM 135 NH1 ARG A 84 2.165 14.472 -0.199 1.00 0.00 N ATOM 136 NH2 ARG A 84 2.500 14.031 -2.426 1.00 0.00 N ATOM 0 H ARG A 84 -0.047 8.440 -0.070 1.00 0.00 H new ATOM 0 HA ARG A 84 2.021 7.858 -1.627 1.00 0.00 H new ATOM 0 HB2 ARG A 84 3.047 9.873 0.096 1.00 0.00 H new ATOM 0 HB3 ARG A 84 2.278 10.069 -1.467 1.00 0.00 H new ATOM 0 HG2 ARG A 84 0.053 10.153 -0.347 1.00 0.00 H new ATOM 0 HG3 ARG A 84 0.842 9.995 1.210 1.00 0.00 H new ATOM 0 HD2 ARG A 84 0.262 12.371 0.521 1.00 0.00 H new ATOM 0 HD3 ARG A 84 1.927 12.116 1.005 1.00 0.00 H new ATOM 0 HE ARG A 84 1.609 11.779 -1.860 1.00 0.00 H new ATOM 0 HH11 ARG A 84 1.861 14.169 0.726 1.00 0.00 H new ATOM 0 HH12 ARG A 84 2.517 15.420 -0.335 1.00 0.00 H new ATOM 0 HH21 ARG A 84 2.454 13.388 -3.217 1.00 0.00 H new ATOM 0 HH22 ARG A 84 2.851 14.979 -2.559 1.00 0.00 H new ATOM 150 N SER A 85 3.906 6.684 -0.547 1.00 0.00 N ATOM 151 CA SER A 85 5.019 5.957 0.050 1.00 0.00 C ATOM 152 C SER A 85 5.642 6.747 1.194 1.00 0.00 C ATOM 153 O SER A 85 6.372 7.712 0.970 1.00 0.00 O ATOM 154 CB SER A 85 6.080 5.651 -1.007 1.00 0.00 C ATOM 155 OG SER A 85 7.232 6.455 -0.824 1.00 0.00 O ATOM 0 H SER A 85 3.814 6.559 -1.555 1.00 0.00 H new ATOM 0 HA SER A 85 4.630 5.021 0.451 1.00 0.00 H new ATOM 0 HB2 SER A 85 6.356 4.598 -0.955 1.00 0.00 H new ATOM 0 HB3 SER A 85 5.667 5.823 -2.001 1.00 0.00 H new ATOM 0 HG SER A 85 6.960 7.374 -0.617 1.00 0.00 H new ATOM 161 N PRO A 86 5.367 6.336 2.439 1.00 0.00 N ATOM 162 CA PRO A 86 5.910 7.000 3.629 1.00 0.00 C ATOM 163 C PRO A 86 7.428 6.886 3.693 1.00 0.00 C ATOM 164 O PRO A 86 7.992 5.833 3.396 1.00 0.00 O ATOM 165 CB PRO A 86 5.261 6.245 4.794 1.00 0.00 C ATOM 166 CG PRO A 86 4.860 4.928 4.225 1.00 0.00 C ATOM 167 CD PRO A 86 4.516 5.188 2.786 1.00 0.00 C ATOM 0 HA PRO A 86 5.698 8.069 3.638 1.00 0.00 H new ATOM 0 HB2 PRO A 86 5.959 6.121 5.622 1.00 0.00 H new ATOM 0 HB3 PRO A 86 4.398 6.786 5.183 1.00 0.00 H new ATOM 0 HG2 PRO A 86 5.670 4.204 4.308 1.00 0.00 H new ATOM 0 HG3 PRO A 86 4.006 4.514 4.762 1.00 0.00 H new ATOM 0 HD2 PRO A 86 4.731 4.323 2.158 1.00 0.00 H new ATOM 0 HD3 PRO A 86 3.458 5.418 2.660 1.00 0.00 H new ATOM 175 N MET A 87 8.086 7.974 4.076 1.00 0.00 N ATOM 176 CA MET A 87 9.540 7.985 4.166 1.00 0.00 C ATOM 177 C MET A 87 10.152 7.269 2.964 1.00 0.00 C ATOM 178 O MET A 87 9.462 6.982 1.987 1.00 0.00 O ATOM 179 CB MET A 87 9.990 7.315 5.465 1.00 0.00 C ATOM 180 CG MET A 87 9.414 5.925 5.655 1.00 0.00 C ATOM 181 SD MET A 87 9.975 5.142 7.179 1.00 0.00 S ATOM 182 CE MET A 87 8.442 5.054 8.101 1.00 0.00 C ATOM 0 H MET A 87 7.638 8.855 4.328 1.00 0.00 H new ATOM 0 HA MET A 87 9.883 9.020 4.165 1.00 0.00 H new ATOM 0 HB2 MET A 87 11.078 7.254 5.476 1.00 0.00 H new ATOM 0 HB3 MET A 87 9.697 7.940 6.308 1.00 0.00 H new ATOM 0 HG2 MET A 87 8.326 5.985 5.661 1.00 0.00 H new ATOM 0 HG3 MET A 87 9.694 5.301 4.806 1.00 0.00 H new ATOM 0 HE1 MET A 87 8.627 4.591 9.071 1.00 0.00 H new ATOM 0 HE2 MET A 87 8.048 6.059 8.248 1.00 0.00 H new ATOM 0 HE3 MET A 87 7.718 4.458 7.546 1.00 0.00 H new ATOM 192 N VAL A 88 11.447 6.986 3.040 1.00 0.00 N ATOM 193 CA VAL A 88 12.142 6.306 1.953 1.00 0.00 C ATOM 194 C VAL A 88 12.061 4.790 2.109 1.00 0.00 C ATOM 195 O VAL A 88 12.719 4.208 2.972 1.00 0.00 O ATOM 196 CB VAL A 88 13.622 6.727 1.883 1.00 0.00 C ATOM 197 CG1 VAL A 88 14.395 5.822 0.935 1.00 0.00 C ATOM 198 CG2 VAL A 88 13.743 8.183 1.457 1.00 0.00 C ATOM 0 H VAL A 88 12.036 7.216 3.840 1.00 0.00 H new ATOM 0 HA VAL A 88 11.645 6.599 1.028 1.00 0.00 H new ATOM 0 HB VAL A 88 14.055 6.624 2.878 1.00 0.00 H new ATOM 0 HG11 VAL A 88 15.438 6.137 0.901 1.00 0.00 H new ATOM 0 HG12 VAL A 88 14.338 4.792 1.288 1.00 0.00 H new ATOM 0 HG13 VAL A 88 13.963 5.887 -0.064 1.00 0.00 H new ATOM 0 HG21 VAL A 88 14.796 8.463 1.413 1.00 0.00 H new ATOM 0 HG22 VAL A 88 13.291 8.313 0.473 1.00 0.00 H new ATOM 0 HG23 VAL A 88 13.229 8.817 2.179 1.00 0.00 H new ATOM 208 N GLY A 89 11.250 4.155 1.267 1.00 0.00 N ATOM 209 CA GLY A 89 11.099 2.712 1.327 1.00 0.00 C ATOM 210 C GLY A 89 10.604 2.123 0.019 1.00 0.00 C ATOM 211 O GLY A 89 10.752 2.736 -1.039 1.00 0.00 O ATOM 0 H GLY A 89 10.695 4.614 0.545 1.00 0.00 H new ATOM 0 HA2 GLY A 89 12.057 2.260 1.585 1.00 0.00 H new ATOM 0 HA3 GLY A 89 10.401 2.456 2.124 1.00 0.00 H new ATOM 215 N THR A 90 10.016 0.933 0.091 1.00 0.00 N ATOM 216 CA THR A 90 9.498 0.263 -1.097 1.00 0.00 C ATOM 217 C THR A 90 8.021 -0.072 -0.937 1.00 0.00 C ATOM 218 O THR A 90 7.550 -0.340 0.167 1.00 0.00 O ATOM 219 CB THR A 90 10.285 -1.022 -1.374 1.00 0.00 C ATOM 220 OG1 THR A 90 11.551 -0.728 -1.933 1.00 0.00 O ATOM 221 CG2 THR A 90 9.570 -1.969 -2.319 1.00 0.00 C ATOM 0 H THR A 90 9.886 0.413 0.959 1.00 0.00 H new ATOM 0 HA THR A 90 9.613 0.946 -1.939 1.00 0.00 H new ATOM 0 HB THR A 90 10.389 -1.511 -0.405 1.00 0.00 H new ATOM 0 HG1 THR A 90 12.037 -1.563 -2.100 1.00 0.00 H new ATOM 0 HG21 THR A 90 10.180 -2.859 -2.473 1.00 0.00 H new ATOM 0 HG22 THR A 90 8.611 -2.257 -1.889 1.00 0.00 H new ATOM 0 HG23 THR A 90 9.404 -1.473 -3.275 1.00 0.00 H new ATOM 229 N PHE A 91 7.298 -0.067 -2.051 1.00 0.00 N ATOM 230 CA PHE A 91 5.876 -0.384 -2.045 1.00 0.00 C ATOM 231 C PHE A 91 5.676 -1.876 -2.273 1.00 0.00 C ATOM 232 O PHE A 91 6.385 -2.480 -3.073 1.00 0.00 O ATOM 233 CB PHE A 91 5.155 0.416 -3.132 1.00 0.00 C ATOM 234 CG PHE A 91 3.733 -0.015 -3.373 1.00 0.00 C ATOM 235 CD1 PHE A 91 2.690 0.546 -2.642 1.00 0.00 C ATOM 236 CD2 PHE A 91 3.434 -0.974 -4.340 1.00 0.00 C ATOM 237 CE1 PHE A 91 1.381 0.160 -2.867 1.00 0.00 C ATOM 238 CE2 PHE A 91 2.123 -1.358 -4.569 1.00 0.00 C ATOM 239 CZ PHE A 91 1.098 -0.791 -3.830 1.00 0.00 C ATOM 0 H PHE A 91 7.675 0.154 -2.972 1.00 0.00 H new ATOM 0 HA PHE A 91 5.457 -0.115 -1.075 1.00 0.00 H new ATOM 0 HB2 PHE A 91 5.162 1.471 -2.856 1.00 0.00 H new ATOM 0 HB3 PHE A 91 5.713 0.327 -4.064 1.00 0.00 H new ATOM 0 HD1 PHE A 91 2.905 1.291 -1.891 1.00 0.00 H new ATOM 0 HD2 PHE A 91 4.231 -1.421 -4.915 1.00 0.00 H new ATOM 0 HE1 PHE A 91 0.581 0.601 -2.291 1.00 0.00 H new ATOM 0 HE2 PHE A 91 1.900 -2.099 -5.323 1.00 0.00 H new ATOM 0 HZ PHE A 91 0.076 -1.092 -4.006 1.00 0.00 H new ATOM 249 N TYR A 92 4.717 -2.466 -1.564 1.00 0.00 N ATOM 250 CA TYR A 92 4.440 -3.892 -1.698 1.00 0.00 C ATOM 251 C TYR A 92 2.956 -4.183 -1.520 1.00 0.00 C ATOM 252 O TYR A 92 2.364 -3.851 -0.493 1.00 0.00 O ATOM 253 CB TYR A 92 5.258 -4.696 -0.684 1.00 0.00 C ATOM 254 CG TYR A 92 6.728 -4.789 -1.028 1.00 0.00 C ATOM 255 CD1 TYR A 92 7.154 -4.816 -2.357 1.00 0.00 C ATOM 256 CD2 TYR A 92 7.694 -4.840 -0.025 1.00 0.00 C ATOM 257 CE1 TYR A 92 8.503 -4.893 -2.674 1.00 0.00 C ATOM 258 CE2 TYR A 92 9.042 -4.918 -0.333 1.00 0.00 C ATOM 259 CZ TYR A 92 9.441 -4.945 -1.658 1.00 0.00 C ATOM 260 OH TYR A 92 10.780 -5.018 -1.968 1.00 0.00 O ATOM 0 H TYR A 92 4.121 -1.980 -0.894 1.00 0.00 H new ATOM 0 HA TYR A 92 4.729 -4.194 -2.705 1.00 0.00 H new ATOM 0 HB2 TYR A 92 5.152 -4.239 0.300 1.00 0.00 H new ATOM 0 HB3 TYR A 92 4.846 -5.703 -0.614 1.00 0.00 H new ATOM 0 HD1 TYR A 92 6.423 -4.776 -3.151 1.00 0.00 H new ATOM 0 HD2 TYR A 92 7.386 -4.818 1.010 1.00 0.00 H new ATOM 0 HE1 TYR A 92 8.819 -4.912 -3.707 1.00 0.00 H new ATOM 0 HE2 TYR A 92 9.778 -4.958 0.456 1.00 0.00 H new ATOM 0 HH TYR A 92 10.911 -4.786 -2.911 1.00 0.00 H new ATOM 270 N ARG A 93 2.361 -4.809 -2.530 1.00 0.00 N ATOM 271 CA ARG A 93 0.946 -5.150 -2.493 1.00 0.00 C ATOM 272 C ARG A 93 0.756 -6.663 -2.517 1.00 0.00 C ATOM 273 O ARG A 93 -0.154 -7.174 -3.170 1.00 0.00 O ATOM 274 CB ARG A 93 0.214 -4.512 -3.675 1.00 0.00 C ATOM 275 CG ARG A 93 0.777 -4.916 -5.027 1.00 0.00 C ATOM 276 CD ARG A 93 0.007 -4.268 -6.166 1.00 0.00 C ATOM 277 NE ARG A 93 0.366 -4.834 -7.463 1.00 0.00 N ATOM 278 CZ ARG A 93 -0.011 -6.042 -7.868 1.00 0.00 C ATOM 279 NH1 ARG A 93 -0.755 -6.807 -7.079 1.00 0.00 N ATOM 280 NH2 ARG A 93 0.353 -6.488 -9.062 1.00 0.00 N ATOM 0 H ARG A 93 2.839 -5.091 -3.386 1.00 0.00 H new ATOM 0 HA ARG A 93 0.526 -4.762 -1.565 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -0.839 -4.789 -3.632 1.00 0.00 H new ATOM 0 HB3 ARG A 93 0.263 -3.427 -3.580 1.00 0.00 H new ATOM 0 HG2 ARG A 93 1.827 -4.629 -5.086 1.00 0.00 H new ATOM 0 HG3 ARG A 93 0.737 -6.000 -5.130 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -1.063 -4.395 -5.999 1.00 0.00 H new ATOM 0 HD3 ARG A 93 0.203 -3.196 -6.172 1.00 0.00 H new ATOM 0 HE ARG A 93 0.938 -4.271 -8.093 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -1.039 -6.468 -6.160 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -1.043 -7.734 -7.392 1.00 0.00 H new ATOM 0 HH21 ARG A 93 0.924 -5.903 -9.672 1.00 0.00 H new ATOM 0 HH22 ARG A 93 0.062 -7.416 -9.370 1.00 0.00 H new ATOM 294 N THR A 94 1.621 -7.375 -1.801 1.00 0.00 N ATOM 295 CA THR A 94 1.548 -8.831 -1.740 1.00 0.00 C ATOM 296 C THR A 94 2.090 -9.351 -0.412 1.00 0.00 C ATOM 297 O THR A 94 3.273 -9.201 -0.112 1.00 0.00 O ATOM 298 CB THR A 94 2.331 -9.451 -2.899 1.00 0.00 C ATOM 299 OG1 THR A 94 3.642 -8.917 -2.961 1.00 0.00 O ATOM 300 CG2 THR A 94 1.681 -9.230 -4.248 1.00 0.00 C ATOM 0 H THR A 94 2.380 -6.968 -1.255 1.00 0.00 H new ATOM 0 HA THR A 94 0.500 -9.119 -1.821 1.00 0.00 H new ATOM 0 HB THR A 94 2.349 -10.521 -2.694 1.00 0.00 H new ATOM 0 HG1 THR A 94 3.997 -8.814 -2.053 1.00 0.00 H new ATOM 0 HG21 THR A 94 2.288 -9.695 -5.025 1.00 0.00 H new ATOM 0 HG22 THR A 94 0.686 -9.675 -4.250 1.00 0.00 H new ATOM 0 HG23 THR A 94 1.600 -8.160 -4.442 1.00 0.00 H new ATOM 308 N PRO A 95 1.223 -9.976 0.399 1.00 0.00 N ATOM 309 CA PRO A 95 1.611 -10.526 1.702 1.00 0.00 C ATOM 310 C PRO A 95 2.475 -11.776 1.566 1.00 0.00 C ATOM 311 O PRO A 95 3.313 -12.061 2.421 1.00 0.00 O ATOM 312 CB PRO A 95 0.271 -10.874 2.351 1.00 0.00 C ATOM 313 CG PRO A 95 -0.647 -11.125 1.206 1.00 0.00 C ATOM 314 CD PRO A 95 -0.205 -10.196 0.108 1.00 0.00 C ATOM 0 HA PRO A 95 2.212 -9.824 2.280 1.00 0.00 H new ATOM 0 HB2 PRO A 95 0.357 -11.753 2.990 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -0.090 -10.058 2.977 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -0.592 -12.165 0.883 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -1.682 -10.932 1.487 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -0.350 -10.640 -0.877 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -0.766 -9.262 0.122 1.00 0.00 H new ATOM 322 N SER A 96 2.265 -12.516 0.484 1.00 0.00 N ATOM 323 CA SER A 96 3.022 -13.737 0.231 1.00 0.00 C ATOM 324 C SER A 96 3.310 -13.899 -1.257 1.00 0.00 C ATOM 325 O SER A 96 2.626 -13.317 -2.101 1.00 0.00 O ATOM 326 CB SER A 96 2.255 -14.953 0.751 1.00 0.00 C ATOM 327 OG SER A 96 1.236 -14.566 1.657 1.00 0.00 O ATOM 0 H SER A 96 1.576 -12.292 -0.234 1.00 0.00 H new ATOM 0 HA SER A 96 3.972 -13.663 0.760 1.00 0.00 H new ATOM 0 HB2 SER A 96 1.815 -15.494 -0.086 1.00 0.00 H new ATOM 0 HB3 SER A 96 2.945 -15.637 1.245 1.00 0.00 H new ATOM 0 HG SER A 96 0.760 -15.362 1.973 1.00 0.00 H new ATOM 333 N PRO A 97 4.331 -14.698 -1.598 1.00 0.00 N ATOM 334 CA PRO A 97 4.715 -14.941 -2.992 1.00 0.00 C ATOM 335 C PRO A 97 3.535 -15.393 -3.846 1.00 0.00 C ATOM 336 O PRO A 97 3.406 -14.995 -5.004 1.00 0.00 O ATOM 337 CB PRO A 97 5.757 -16.058 -2.884 1.00 0.00 C ATOM 338 CG PRO A 97 6.321 -15.918 -1.512 1.00 0.00 C ATOM 339 CD PRO A 97 5.191 -15.425 -0.650 1.00 0.00 C ATOM 0 HA PRO A 97 5.088 -14.038 -3.476 1.00 0.00 H new ATOM 0 HB2 PRO A 97 5.303 -17.038 -3.027 1.00 0.00 H new ATOM 0 HB3 PRO A 97 6.532 -15.952 -3.643 1.00 0.00 H new ATOM 0 HG2 PRO A 97 6.703 -16.872 -1.148 1.00 0.00 H new ATOM 0 HG3 PRO A 97 7.155 -15.216 -1.502 1.00 0.00 H new ATOM 0 HD2 PRO A 97 4.659 -16.249 -0.175 1.00 0.00 H new ATOM 0 HD3 PRO A 97 5.549 -14.775 0.148 1.00 0.00 H new ATOM 347 N ASP A 98 2.676 -16.224 -3.267 1.00 0.00 N ATOM 348 CA ASP A 98 1.505 -16.729 -3.975 1.00 0.00 C ATOM 349 C ASP A 98 0.239 -16.523 -3.150 1.00 0.00 C ATOM 350 O ASP A 98 -0.447 -17.482 -2.797 1.00 0.00 O ATOM 351 CB ASP A 98 1.681 -18.214 -4.299 1.00 0.00 C ATOM 352 CG ASP A 98 2.961 -18.491 -5.064 1.00 0.00 C ATOM 353 OD1 ASP A 98 3.457 -17.568 -5.745 1.00 0.00 O ATOM 354 OD2 ASP A 98 3.468 -19.629 -4.981 1.00 0.00 O ATOM 0 H ASP A 98 2.768 -16.562 -2.309 1.00 0.00 H new ATOM 0 HA ASP A 98 1.405 -16.170 -4.905 1.00 0.00 H new ATOM 0 HB2 ASP A 98 1.684 -18.788 -3.372 1.00 0.00 H new ATOM 0 HB3 ASP A 98 0.829 -18.559 -4.885 1.00 0.00 H new ATOM 359 N ALA A 99 -0.063 -15.264 -2.843 1.00 0.00 N ATOM 360 CA ALA A 99 -1.247 -14.932 -2.057 1.00 0.00 C ATOM 361 C ALA A 99 -2.232 -14.102 -2.871 1.00 0.00 C ATOM 362 O ALA A 99 -2.087 -13.961 -4.086 1.00 0.00 O ATOM 363 CB ALA A 99 -0.846 -14.191 -0.791 1.00 0.00 C ATOM 0 H ALA A 99 0.495 -14.459 -3.126 1.00 0.00 H new ATOM 0 HA ALA A 99 -1.743 -15.862 -1.779 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -1.738 -13.949 -0.213 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -0.187 -14.821 -0.194 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -0.325 -13.271 -1.057 1.00 0.00 H new ATOM 369 N LYS A 100 -3.235 -13.552 -2.194 1.00 0.00 N ATOM 370 CA LYS A 100 -4.246 -12.733 -2.855 1.00 0.00 C ATOM 371 C LYS A 100 -3.849 -11.260 -2.843 1.00 0.00 C ATOM 372 O LYS A 100 -4.704 -10.376 -2.879 1.00 0.00 O ATOM 373 CB LYS A 100 -5.604 -12.915 -2.175 1.00 0.00 C ATOM 374 CG LYS A 100 -6.063 -14.363 -2.108 1.00 0.00 C ATOM 375 CD LYS A 100 -6.353 -14.791 -0.678 1.00 0.00 C ATOM 376 CE LYS A 100 -7.170 -13.745 0.062 1.00 0.00 C ATOM 377 NZ LYS A 100 -6.312 -12.860 0.897 1.00 0.00 N ATOM 0 H LYS A 100 -3.370 -13.658 -1.189 1.00 0.00 H new ATOM 0 HA LYS A 100 -4.321 -13.060 -3.892 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -5.551 -12.512 -1.163 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -6.351 -12.330 -2.712 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -6.959 -14.490 -2.716 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -5.295 -15.009 -2.533 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -6.892 -15.738 -0.683 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -5.414 -14.961 -0.151 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -7.723 -13.141 -0.657 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -7.906 -14.240 0.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -6.552 -12.990 1.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -5.312 -13.103 0.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -6.472 -11.868 0.629 1.00 0.00 H new ATOM 391 N ALA A 101 -2.545 -11.004 -2.793 1.00 0.00 N ATOM 392 CA ALA A 101 -2.034 -9.639 -2.776 1.00 0.00 C ATOM 393 C ALA A 101 -2.444 -8.913 -1.500 1.00 0.00 C ATOM 394 O ALA A 101 -3.144 -9.468 -0.654 1.00 0.00 O ATOM 395 CB ALA A 101 -2.525 -8.877 -3.998 1.00 0.00 C ATOM 0 H ALA A 101 -1.824 -11.725 -2.764 1.00 0.00 H new ATOM 0 HA ALA A 101 -0.945 -9.686 -2.802 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -2.136 -7.859 -3.973 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.177 -9.376 -4.902 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -3.615 -8.849 -3.996 1.00 0.00 H new ATOM 401 N PHE A 102 -2.004 -7.664 -1.368 1.00 0.00 N ATOM 402 CA PHE A 102 -2.327 -6.859 -0.195 1.00 0.00 C ATOM 403 C PHE A 102 -3.548 -5.981 -0.462 1.00 0.00 C ATOM 404 O PHE A 102 -4.331 -5.698 0.445 1.00 0.00 O ATOM 405 CB PHE A 102 -1.130 -5.990 0.201 1.00 0.00 C ATOM 406 CG PHE A 102 -0.476 -6.413 1.487 1.00 0.00 C ATOM 407 CD1 PHE A 102 -1.246 -6.725 2.603 1.00 0.00 C ATOM 408 CD2 PHE A 102 0.910 -6.500 1.585 1.00 0.00 C ATOM 409 CE1 PHE A 102 -0.646 -7.116 3.790 1.00 0.00 C ATOM 410 CE2 PHE A 102 1.514 -6.890 2.768 1.00 0.00 C ATOM 411 CZ PHE A 102 0.734 -7.199 3.872 1.00 0.00 C ATOM 0 H PHE A 102 -1.423 -7.189 -2.059 1.00 0.00 H new ATOM 0 HA PHE A 102 -2.560 -7.534 0.628 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -0.390 -6.019 -0.599 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -1.459 -4.955 0.294 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -2.323 -6.662 2.544 1.00 0.00 H new ATOM 0 HD2 PHE A 102 1.521 -6.260 0.728 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -1.254 -7.356 4.650 1.00 0.00 H new ATOM 0 HE2 PHE A 102 2.590 -6.953 2.831 1.00 0.00 H new ATOM 0 HZ PHE A 102 1.203 -7.504 4.796 1.00 0.00 H new ATOM 421 N ILE A 103 -3.708 -5.561 -1.716 1.00 0.00 N ATOM 422 CA ILE A 103 -4.838 -4.722 -2.109 1.00 0.00 C ATOM 423 C ILE A 103 -4.652 -4.171 -3.518 1.00 0.00 C ATOM 424 O ILE A 103 -3.555 -3.758 -3.894 1.00 0.00 O ATOM 425 CB ILE A 103 -5.039 -3.547 -1.136 1.00 0.00 C ATOM 426 CG1 ILE A 103 -3.715 -3.170 -0.476 1.00 0.00 C ATOM 427 CG2 ILE A 103 -6.083 -3.899 -0.087 1.00 0.00 C ATOM 428 CD1 ILE A 103 -3.494 -1.678 -0.389 1.00 0.00 C ATOM 0 H ILE A 103 -3.069 -5.788 -2.477 1.00 0.00 H new ATOM 0 HA ILE A 103 -5.722 -5.359 -2.082 1.00 0.00 H new ATOM 0 HB ILE A 103 -5.398 -2.686 -1.700 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -3.684 -3.594 0.528 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -2.896 -3.619 -1.038 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -6.213 -3.057 0.593 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -7.031 -4.120 -0.577 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -5.753 -4.773 0.475 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -2.535 -1.480 0.090 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -3.494 -1.251 -1.392 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -4.293 -1.225 0.198 1.00 0.00 H new ATOM 440 N GLU A 104 -5.731 -4.168 -4.294 1.00 0.00 N ATOM 441 CA GLU A 104 -5.687 -3.667 -5.663 1.00 0.00 C ATOM 442 C GLU A 104 -6.953 -2.885 -6.000 1.00 0.00 C ATOM 443 O GLU A 104 -7.981 -3.037 -5.342 1.00 0.00 O ATOM 444 CB GLU A 104 -5.507 -4.823 -6.649 1.00 0.00 C ATOM 445 CG GLU A 104 -6.815 -5.478 -7.064 1.00 0.00 C ATOM 446 CD GLU A 104 -6.626 -6.518 -8.151 1.00 0.00 C ATOM 447 OE1 GLU A 104 -5.756 -7.398 -7.985 1.00 0.00 O ATOM 448 OE2 GLU A 104 -7.348 -6.452 -9.168 1.00 0.00 O ATOM 0 H GLU A 104 -6.646 -4.507 -3.998 1.00 0.00 H new ATOM 0 HA GLU A 104 -4.834 -2.993 -5.747 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -4.996 -4.455 -7.539 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -4.860 -5.576 -6.199 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -7.275 -5.946 -6.194 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -7.506 -4.711 -7.416 1.00 0.00 H new ATOM 455 N VAL A 105 -6.868 -2.050 -7.030 1.00 0.00 N ATOM 456 CA VAL A 105 -8.005 -1.243 -7.458 1.00 0.00 C ATOM 457 C VAL A 105 -9.290 -2.064 -7.473 1.00 0.00 C ATOM 458 O VAL A 105 -9.371 -3.095 -8.139 1.00 0.00 O ATOM 459 CB VAL A 105 -7.773 -0.646 -8.858 1.00 0.00 C ATOM 460 CG1 VAL A 105 -7.484 -1.746 -9.867 1.00 0.00 C ATOM 461 CG2 VAL A 105 -8.975 0.184 -9.291 1.00 0.00 C ATOM 0 H VAL A 105 -6.023 -1.914 -7.584 1.00 0.00 H new ATOM 0 HA VAL A 105 -8.106 -0.432 -6.737 1.00 0.00 H new ATOM 0 HB VAL A 105 -6.904 0.011 -8.813 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -7.323 -1.304 -10.850 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -6.591 -2.292 -9.564 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -8.331 -2.431 -9.911 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -8.793 0.598 -10.283 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -9.863 -0.448 -9.319 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -9.131 0.997 -8.582 1.00 0.00 H new ATOM 471 N GLY A 106 -10.291 -1.599 -6.732 1.00 0.00 N ATOM 472 CA GLY A 106 -11.558 -2.303 -6.674 1.00 0.00 C ATOM 473 C GLY A 106 -11.811 -2.928 -5.317 1.00 0.00 C ATOM 474 O GLY A 106 -12.951 -3.235 -4.970 1.00 0.00 O ATOM 0 H GLY A 106 -10.247 -0.748 -6.171 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -12.366 -1.610 -6.908 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -11.574 -3.081 -7.438 1.00 0.00 H new ATOM 478 N GLN A 107 -10.743 -3.115 -4.547 1.00 0.00 N ATOM 479 CA GLN A 107 -10.853 -3.707 -3.219 1.00 0.00 C ATOM 480 C GLN A 107 -11.135 -2.637 -2.169 1.00 0.00 C ATOM 481 O GLN A 107 -10.295 -1.777 -1.904 1.00 0.00 O ATOM 482 CB GLN A 107 -9.569 -4.460 -2.866 1.00 0.00 C ATOM 483 CG GLN A 107 -9.603 -5.113 -1.495 1.00 0.00 C ATOM 484 CD GLN A 107 -9.333 -6.604 -1.551 1.00 0.00 C ATOM 485 OE1 GLN A 107 -8.192 -7.045 -1.412 1.00 0.00 O ATOM 486 NE2 GLN A 107 -10.384 -7.389 -1.757 1.00 0.00 N ATOM 0 H GLN A 107 -9.793 -2.865 -4.820 1.00 0.00 H new ATOM 0 HA GLN A 107 -11.686 -4.409 -3.229 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -9.389 -5.227 -3.620 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -8.728 -3.767 -2.908 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -8.862 -4.638 -0.852 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -10.578 -4.941 -1.039 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -11.312 -6.980 -1.867 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -10.263 -8.401 -1.805 1.00 0.00 H new ATOM 495 N LYS A 108 -12.322 -2.697 -1.575 1.00 0.00 N ATOM 496 CA LYS A 108 -12.714 -1.732 -0.554 1.00 0.00 C ATOM 497 C LYS A 108 -12.022 -2.031 0.771 1.00 0.00 C ATOM 498 O LYS A 108 -12.233 -3.086 1.369 1.00 0.00 O ATOM 499 CB LYS A 108 -14.232 -1.746 -0.366 1.00 0.00 C ATOM 500 CG LYS A 108 -14.794 -3.125 -0.057 1.00 0.00 C ATOM 501 CD LYS A 108 -15.898 -3.506 -1.031 1.00 0.00 C ATOM 502 CE LYS A 108 -16.695 -4.700 -0.530 1.00 0.00 C ATOM 503 NZ LYS A 108 -17.648 -5.203 -1.557 1.00 0.00 N ATOM 0 H LYS A 108 -13.029 -3.403 -1.783 1.00 0.00 H new ATOM 0 HA LYS A 108 -12.406 -0.741 -0.888 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -14.496 -1.065 0.444 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -14.705 -1.364 -1.271 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -13.994 -3.864 -0.104 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -15.183 -3.141 0.961 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -16.566 -2.657 -1.176 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -15.463 -3.739 -2.003 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -16.011 -5.500 -0.247 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -17.245 -4.418 0.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -18.171 -6.017 -1.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -18.317 -4.448 -1.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -17.122 -5.496 -2.405 1.00 0.00 H new ATOM 517 N VAL A 109 -11.196 -1.094 1.227 1.00 0.00 N ATOM 518 CA VAL A 109 -10.475 -1.260 2.483 1.00 0.00 C ATOM 519 C VAL A 109 -11.314 -0.785 3.664 1.00 0.00 C ATOM 520 O VAL A 109 -12.348 -0.143 3.486 1.00 0.00 O ATOM 521 CB VAL A 109 -9.140 -0.488 2.473 1.00 0.00 C ATOM 522 CG1 VAL A 109 -8.225 -1.016 1.380 1.00 0.00 C ATOM 523 CG2 VAL A 109 -9.385 1.003 2.301 1.00 0.00 C ATOM 0 H VAL A 109 -11.010 -0.214 0.746 1.00 0.00 H new ATOM 0 HA VAL A 109 -10.269 -2.325 2.590 1.00 0.00 H new ATOM 0 HB VAL A 109 -8.646 -0.642 3.433 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -7.288 -0.459 1.389 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -8.021 -2.072 1.555 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -8.709 -0.896 0.411 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -8.431 1.530 2.296 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -9.902 1.180 1.358 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -9.998 1.368 3.125 1.00 0.00 H new ATOM 533 N ASN A 110 -10.860 -1.106 4.872 1.00 0.00 N ATOM 534 CA ASN A 110 -11.561 -0.715 6.082 1.00 0.00 C ATOM 535 C ASN A 110 -10.628 -0.762 7.283 1.00 0.00 C ATOM 536 O ASN A 110 -9.908 -1.739 7.492 1.00 0.00 O ATOM 537 CB ASN A 110 -12.762 -1.625 6.321 1.00 0.00 C ATOM 538 CG ASN A 110 -12.375 -2.936 6.977 1.00 0.00 C ATOM 539 OD1 ASN A 110 -11.828 -3.830 6.331 1.00 0.00 O ATOM 540 ND2 ASN A 110 -12.659 -3.057 8.269 1.00 0.00 N ATOM 0 H ASN A 110 -10.005 -1.638 5.035 1.00 0.00 H new ATOM 0 HA ASN A 110 -11.913 0.308 5.953 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -13.486 -1.108 6.950 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -13.254 -1.829 5.370 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -12.423 -3.917 8.765 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -13.113 -2.290 8.765 1.00 0.00 H new ATOM 547 N VAL A 111 -10.650 0.303 8.067 1.00 0.00 N ATOM 548 CA VAL A 111 -9.810 0.397 9.254 1.00 0.00 C ATOM 549 C VAL A 111 -9.688 -0.956 9.944 1.00 0.00 C ATOM 550 O VAL A 111 -10.660 -1.705 10.039 1.00 0.00 O ATOM 551 CB VAL A 111 -10.362 1.428 10.257 1.00 0.00 C ATOM 552 CG1 VAL A 111 -9.303 1.793 11.285 1.00 0.00 C ATOM 553 CG2 VAL A 111 -10.861 2.667 9.531 1.00 0.00 C ATOM 0 H VAL A 111 -11.241 1.118 7.904 1.00 0.00 H new ATOM 0 HA VAL A 111 -8.825 0.724 8.921 1.00 0.00 H new ATOM 0 HB VAL A 111 -11.206 0.980 10.782 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -9.711 2.522 11.985 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -9.000 0.898 11.829 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -8.437 2.221 10.779 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -11.247 3.383 10.256 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -10.039 3.120 8.976 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -11.655 2.388 8.839 1.00 0.00 H new ATOM 563 N GLY A 112 -8.488 -1.265 10.421 1.00 0.00 N ATOM 564 CA GLY A 112 -8.262 -2.530 11.093 1.00 0.00 C ATOM 565 C GLY A 112 -7.861 -3.629 10.129 1.00 0.00 C ATOM 566 O GLY A 112 -7.763 -4.796 10.512 1.00 0.00 O ATOM 0 H GLY A 112 -7.668 -0.662 10.354 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -7.482 -2.406 11.844 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -9.169 -2.826 11.621 1.00 0.00 H new ATOM 570 N ASP A 113 -7.629 -3.256 8.875 1.00 0.00 N ATOM 571 CA ASP A 113 -7.236 -4.216 7.852 1.00 0.00 C ATOM 572 C ASP A 113 -5.916 -3.808 7.203 1.00 0.00 C ATOM 573 O ASP A 113 -5.875 -2.901 6.371 1.00 0.00 O ATOM 574 CB ASP A 113 -8.327 -4.334 6.788 1.00 0.00 C ATOM 575 CG ASP A 113 -9.445 -5.267 7.210 1.00 0.00 C ATOM 576 OD1 ASP A 113 -9.663 -5.418 8.430 1.00 0.00 O ATOM 577 OD2 ASP A 113 -10.103 -5.846 6.320 1.00 0.00 O ATOM 0 H ASP A 113 -7.707 -2.295 8.543 1.00 0.00 H new ATOM 0 HA ASP A 113 -7.100 -5.186 8.331 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -8.739 -3.346 6.583 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -7.887 -4.695 5.858 1.00 0.00 H new ATOM 582 N THR A 114 -4.840 -4.484 7.592 1.00 0.00 N ATOM 583 CA THR A 114 -3.517 -4.192 7.050 1.00 0.00 C ATOM 584 C THR A 114 -3.601 -3.839 5.569 1.00 0.00 C ATOM 585 O THR A 114 -3.597 -4.720 4.710 1.00 0.00 O ATOM 586 CB THR A 114 -2.585 -5.388 7.247 1.00 0.00 C ATOM 587 OG1 THR A 114 -2.753 -5.948 8.538 1.00 0.00 O ATOM 588 CG2 THR A 114 -1.122 -5.038 7.083 1.00 0.00 C ATOM 0 H THR A 114 -4.858 -5.237 8.280 1.00 0.00 H new ATOM 0 HA THR A 114 -3.114 -3.334 7.588 1.00 0.00 H new ATOM 0 HB THR A 114 -2.860 -6.101 6.470 1.00 0.00 H new ATOM 0 HG1 THR A 114 -2.637 -5.249 9.215 1.00 0.00 H new ATOM 0 HG21 THR A 114 -0.515 -5.930 7.235 1.00 0.00 H new ATOM 0 HG22 THR A 114 -0.951 -4.650 6.079 1.00 0.00 H new ATOM 0 HG23 THR A 114 -0.845 -4.281 7.816 1.00 0.00 H new ATOM 596 N LEU A 115 -3.674 -2.544 5.277 1.00 0.00 N ATOM 597 CA LEU A 115 -3.756 -2.078 3.899 1.00 0.00 C ATOM 598 C LEU A 115 -2.702 -2.762 3.035 1.00 0.00 C ATOM 599 O LEU A 115 -2.944 -3.831 2.472 1.00 0.00 O ATOM 600 CB LEU A 115 -3.577 -0.559 3.839 1.00 0.00 C ATOM 601 CG LEU A 115 -4.874 0.248 3.915 1.00 0.00 C ATOM 602 CD1 LEU A 115 -4.577 1.717 4.166 1.00 0.00 C ATOM 603 CD2 LEU A 115 -5.680 0.076 2.635 1.00 0.00 C ATOM 0 H LEU A 115 -3.678 -1.801 5.976 1.00 0.00 H new ATOM 0 HA LEU A 115 -4.742 -2.333 3.511 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -2.927 -0.252 4.659 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -3.063 -0.305 2.912 1.00 0.00 H new ATOM 0 HG LEU A 115 -5.466 -0.127 4.750 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -5.513 2.274 4.217 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -4.040 1.824 5.108 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -3.965 2.109 3.353 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -6.600 0.656 2.704 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -5.093 0.426 1.786 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -5.925 -0.977 2.498 1.00 0.00 H new ATOM 615 N CYS A 116 -1.532 -2.142 2.935 1.00 0.00 N ATOM 616 CA CYS A 116 -0.440 -2.691 2.142 1.00 0.00 C ATOM 617 C CYS A 116 0.890 -2.535 2.869 1.00 0.00 C ATOM 618 O CYS A 116 1.045 -1.661 3.722 1.00 0.00 O ATOM 619 CB CYS A 116 -0.373 -2.002 0.778 1.00 0.00 C ATOM 620 SG CYS A 116 -0.612 -0.212 0.844 1.00 0.00 S ATOM 0 H CYS A 116 -1.316 -1.257 3.394 1.00 0.00 H new ATOM 0 HA CYS A 116 -0.631 -3.754 1.994 1.00 0.00 H new ATOM 0 HB2 CYS A 116 0.595 -2.212 0.324 1.00 0.00 H new ATOM 0 HB3 CYS A 116 -1.132 -2.435 0.126 1.00 0.00 H new ATOM 0 HG CYS A 116 0.265 0.371 0.082 1.00 0.00 H new ATOM 626 N ILE A 117 1.846 -3.390 2.526 1.00 0.00 N ATOM 627 CA ILE A 117 3.163 -3.352 3.144 1.00 0.00 C ATOM 628 C ILE A 117 4.104 -2.430 2.372 1.00 0.00 C ATOM 629 O ILE A 117 3.942 -2.221 1.170 1.00 0.00 O ATOM 630 CB ILE A 117 3.765 -4.778 3.241 1.00 0.00 C ATOM 631 CG1 ILE A 117 3.317 -5.446 4.542 1.00 0.00 C ATOM 632 CG2 ILE A 117 5.286 -4.758 3.153 1.00 0.00 C ATOM 633 CD1 ILE A 117 3.908 -6.823 4.752 1.00 0.00 C ATOM 0 H ILE A 117 1.732 -4.119 1.822 1.00 0.00 H new ATOM 0 HA ILE A 117 3.047 -2.955 4.152 1.00 0.00 H new ATOM 0 HB ILE A 117 3.396 -5.354 2.392 1.00 0.00 H new ATOM 0 HG12 ILE A 117 3.595 -4.809 5.382 1.00 0.00 H new ATOM 0 HG13 ILE A 117 2.230 -5.522 4.546 1.00 0.00 H new ATOM 0 HG21 ILE A 117 5.668 -5.776 3.225 1.00 0.00 H new ATOM 0 HG22 ILE A 117 5.590 -4.323 2.201 1.00 0.00 H new ATOM 0 HG23 ILE A 117 5.690 -4.160 3.970 1.00 0.00 H new ATOM 0 HD11 ILE A 117 3.546 -7.235 5.694 1.00 0.00 H new ATOM 0 HD12 ILE A 117 3.609 -7.476 3.932 1.00 0.00 H new ATOM 0 HD13 ILE A 117 4.995 -6.752 4.781 1.00 0.00 H new ATOM 645 N VAL A 118 5.087 -1.883 3.078 1.00 0.00 N ATOM 646 CA VAL A 118 6.061 -0.983 2.471 1.00 0.00 C ATOM 647 C VAL A 118 7.436 -1.163 3.106 1.00 0.00 C ATOM 648 O VAL A 118 7.697 -0.660 4.198 1.00 0.00 O ATOM 649 CB VAL A 118 5.629 0.490 2.610 1.00 0.00 C ATOM 650 CG1 VAL A 118 6.684 1.414 2.023 1.00 0.00 C ATOM 651 CG2 VAL A 118 4.282 0.715 1.942 1.00 0.00 C ATOM 0 H VAL A 118 5.231 -2.048 4.074 1.00 0.00 H new ATOM 0 HA VAL A 118 6.114 -1.236 1.412 1.00 0.00 H new ATOM 0 HB VAL A 118 5.527 0.721 3.670 1.00 0.00 H new ATOM 0 HG11 VAL A 118 6.361 2.450 2.130 1.00 0.00 H new ATOM 0 HG12 VAL A 118 7.627 1.271 2.551 1.00 0.00 H new ATOM 0 HG13 VAL A 118 6.821 1.185 0.966 1.00 0.00 H new ATOM 0 HG21 VAL A 118 3.992 1.760 2.050 1.00 0.00 H new ATOM 0 HG22 VAL A 118 4.355 0.466 0.883 1.00 0.00 H new ATOM 0 HG23 VAL A 118 3.532 0.080 2.413 1.00 0.00 H new ATOM 661 N GLU A 119 8.308 -1.888 2.416 1.00 0.00 N ATOM 662 CA GLU A 119 9.656 -2.141 2.912 1.00 0.00 C ATOM 663 C GLU A 119 10.382 -0.838 3.228 1.00 0.00 C ATOM 664 O GLU A 119 11.138 -0.321 2.407 1.00 0.00 O ATOM 665 CB GLU A 119 10.456 -2.949 1.889 1.00 0.00 C ATOM 666 CG GLU A 119 10.897 -4.310 2.401 1.00 0.00 C ATOM 667 CD GLU A 119 11.697 -4.216 3.686 1.00 0.00 C ATOM 668 OE1 GLU A 119 12.560 -3.318 3.783 1.00 0.00 O ATOM 669 OE2 GLU A 119 11.458 -5.039 4.595 1.00 0.00 O ATOM 0 H GLU A 119 8.106 -2.312 1.510 1.00 0.00 H new ATOM 0 HA GLU A 119 9.570 -2.716 3.834 1.00 0.00 H new ATOM 0 HB2 GLU A 119 9.851 -3.086 0.993 1.00 0.00 H new ATOM 0 HB3 GLU A 119 11.337 -2.378 1.595 1.00 0.00 H new ATOM 0 HG2 GLU A 119 10.019 -4.934 2.568 1.00 0.00 H new ATOM 0 HG3 GLU A 119 11.498 -4.804 1.638 1.00 0.00 H new ATOM 676 N ALA A 120 10.152 -0.316 4.429 1.00 0.00 N ATOM 677 CA ALA A 120 10.788 0.923 4.859 1.00 0.00 C ATOM 678 C ALA A 120 11.935 0.635 5.820 1.00 0.00 C ATOM 679 O ALA A 120 11.873 -0.310 6.607 1.00 0.00 O ATOM 680 CB ALA A 120 9.766 1.844 5.510 1.00 0.00 C ATOM 0 H ALA A 120 9.530 -0.733 5.121 1.00 0.00 H new ATOM 0 HA ALA A 120 11.197 1.422 3.981 1.00 0.00 H new ATOM 0 HB1 ALA A 120 10.256 2.765 5.826 1.00 0.00 H new ATOM 0 HB2 ALA A 120 8.979 2.079 4.793 1.00 0.00 H new ATOM 0 HB3 ALA A 120 9.330 1.349 6.378 1.00 0.00 H new ATOM 686 N MET A 121 12.985 1.448 5.752 1.00 0.00 N ATOM 687 CA MET A 121 14.144 1.266 6.617 1.00 0.00 C ATOM 688 C MET A 121 14.549 -0.202 6.654 1.00 0.00 C ATOM 689 O MET A 121 15.128 -0.676 7.631 1.00 0.00 O ATOM 690 CB MET A 121 13.838 1.763 8.032 1.00 0.00 C ATOM 691 CG MET A 121 12.386 1.582 8.442 1.00 0.00 C ATOM 692 SD MET A 121 12.013 2.346 10.032 1.00 0.00 S ATOM 693 CE MET A 121 12.320 0.975 11.144 1.00 0.00 C ATOM 0 H MET A 121 13.056 2.236 5.109 1.00 0.00 H new ATOM 0 HA MET A 121 14.972 1.850 6.214 1.00 0.00 H new ATOM 0 HB2 MET A 121 14.475 1.232 8.740 1.00 0.00 H new ATOM 0 HB3 MET A 121 14.097 2.820 8.100 1.00 0.00 H new ATOM 0 HG2 MET A 121 11.740 2.012 7.676 1.00 0.00 H new ATOM 0 HG3 MET A 121 12.157 0.518 8.492 1.00 0.00 H new ATOM 0 HE1 MET A 121 12.254 1.321 12.175 1.00 0.00 H new ATOM 0 HE2 MET A 121 11.577 0.196 10.974 1.00 0.00 H new ATOM 0 HE3 MET A 121 13.316 0.573 10.960 1.00 0.00 H new ATOM 703 N LYS A 122 14.229 -0.915 5.580 1.00 0.00 N ATOM 704 CA LYS A 122 14.545 -2.332 5.473 1.00 0.00 C ATOM 705 C LYS A 122 13.560 -3.167 6.281 1.00 0.00 C ATOM 706 O LYS A 122 13.953 -4.085 7.001 1.00 0.00 O ATOM 707 CB LYS A 122 15.973 -2.605 5.950 1.00 0.00 C ATOM 708 CG LYS A 122 16.644 -3.760 5.222 1.00 0.00 C ATOM 709 CD LYS A 122 15.773 -5.009 5.224 1.00 0.00 C ATOM 710 CE LYS A 122 15.861 -5.747 6.551 1.00 0.00 C ATOM 711 NZ LYS A 122 14.630 -6.470 6.857 1.00 0.00 N ATOM 0 H LYS A 122 13.748 -0.531 4.767 1.00 0.00 H new ATOM 0 HA LYS A 122 14.465 -2.615 4.423 1.00 0.00 H new ATOM 0 HB2 LYS A 122 16.571 -1.704 5.815 1.00 0.00 H new ATOM 0 HB3 LYS A 122 15.956 -2.820 7.019 1.00 0.00 H new ATOM 0 HG2 LYS A 122 16.858 -3.467 4.194 1.00 0.00 H new ATOM 0 HG3 LYS A 122 17.600 -3.982 5.696 1.00 0.00 H new ATOM 0 HD2 LYS A 122 14.737 -4.732 5.028 1.00 0.00 H new ATOM 0 HD3 LYS A 122 16.084 -5.672 4.416 1.00 0.00 H new ATOM 0 HE2 LYS A 122 16.695 -6.448 6.522 1.00 0.00 H new ATOM 0 HE3 LYS A 122 16.071 -5.035 7.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 14.756 -7.013 7.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 13.850 -5.792 6.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 14.406 -7.120 6.077 1.00 0.00 H new ATOM 722 N MET A 123 12.279 -2.848 6.151 1.00 0.00 N ATOM 723 CA MET A 123 11.239 -3.575 6.866 1.00 0.00 C ATOM 724 C MET A 123 9.874 -3.330 6.240 1.00 0.00 C ATOM 725 O MET A 123 9.464 -2.186 6.044 1.00 0.00 O ATOM 726 CB MET A 123 11.211 -3.168 8.337 1.00 0.00 C ATOM 727 CG MET A 123 12.588 -3.088 8.976 1.00 0.00 C ATOM 728 SD MET A 123 12.518 -2.608 10.713 1.00 0.00 S ATOM 729 CE MET A 123 14.000 -3.392 11.341 1.00 0.00 C ATOM 0 H MET A 123 11.936 -2.092 5.558 1.00 0.00 H new ATOM 0 HA MET A 123 11.470 -4.638 6.796 1.00 0.00 H new ATOM 0 HB2 MET A 123 10.722 -2.198 8.427 1.00 0.00 H new ATOM 0 HB3 MET A 123 10.604 -3.884 8.891 1.00 0.00 H new ATOM 0 HG2 MET A 123 13.082 -4.056 8.890 1.00 0.00 H new ATOM 0 HG3 MET A 123 13.198 -2.369 8.428 1.00 0.00 H new ATOM 0 HE1 MET A 123 14.097 -3.186 12.407 1.00 0.00 H new ATOM 0 HE2 MET A 123 13.937 -4.469 11.184 1.00 0.00 H new ATOM 0 HE3 MET A 123 14.870 -2.999 10.815 1.00 0.00 H new ATOM 739 N MET A 124 9.174 -4.412 5.934 1.00 0.00 N ATOM 740 CA MET A 124 7.848 -4.321 5.337 1.00 0.00 C ATOM 741 C MET A 124 6.912 -3.517 6.232 1.00 0.00 C ATOM 742 O MET A 124 6.204 -4.078 7.070 1.00 0.00 O ATOM 743 CB MET A 124 7.274 -5.719 5.098 1.00 0.00 C ATOM 744 CG MET A 124 7.709 -6.740 6.136 1.00 0.00 C ATOM 745 SD MET A 124 6.619 -8.175 6.198 1.00 0.00 S ATOM 746 CE MET A 124 7.325 -9.077 7.575 1.00 0.00 C ATOM 0 H MET A 124 9.502 -5.365 6.089 1.00 0.00 H new ATOM 0 HA MET A 124 7.938 -3.810 4.379 1.00 0.00 H new ATOM 0 HB2 MET A 124 6.186 -5.660 5.092 1.00 0.00 H new ATOM 0 HB3 MET A 124 7.580 -6.064 4.110 1.00 0.00 H new ATOM 0 HG2 MET A 124 8.724 -7.069 5.913 1.00 0.00 H new ATOM 0 HG3 MET A 124 7.736 -6.266 7.117 1.00 0.00 H new ATOM 0 HE1 MET A 124 6.758 -9.993 7.739 1.00 0.00 H new ATOM 0 HE2 MET A 124 8.362 -9.327 7.353 1.00 0.00 H new ATOM 0 HE3 MET A 124 7.285 -8.460 8.473 1.00 0.00 H new ATOM 756 N ASN A 125 6.916 -2.200 6.054 1.00 0.00 N ATOM 757 CA ASN A 125 6.070 -1.319 6.849 1.00 0.00 C ATOM 758 C ASN A 125 4.596 -1.571 6.558 1.00 0.00 C ATOM 759 O ASN A 125 3.966 -0.832 5.802 1.00 0.00 O ATOM 760 CB ASN A 125 6.415 0.145 6.568 1.00 0.00 C ATOM 761 CG ASN A 125 5.614 1.102 7.428 1.00 0.00 C ATOM 762 OD1 ASN A 125 4.981 2.029 6.921 1.00 0.00 O ATOM 763 ND2 ASN A 125 5.636 0.882 8.737 1.00 0.00 N ATOM 0 H ASN A 125 7.496 -1.720 5.366 1.00 0.00 H new ATOM 0 HA ASN A 125 6.255 -1.533 7.902 1.00 0.00 H new ATOM 0 HB2 ASN A 125 7.479 0.305 6.745 1.00 0.00 H new ATOM 0 HB3 ASN A 125 6.230 0.364 5.516 1.00 0.00 H new ATOM 0 HD21 ASN A 125 5.115 1.493 9.366 1.00 0.00 H new ATOM 0 HD22 ASN A 125 6.174 0.102 9.114 1.00 0.00 H new ATOM 770 N GLN A 126 4.050 -2.620 7.165 1.00 0.00 N ATOM 771 CA GLN A 126 2.648 -2.970 6.971 1.00 0.00 C ATOM 772 C GLN A 126 1.740 -1.805 7.349 1.00 0.00 C ATOM 773 O GLN A 126 1.732 -1.358 8.497 1.00 0.00 O ATOM 774 CB GLN A 126 2.291 -4.206 7.800 1.00 0.00 C ATOM 775 CG GLN A 126 2.253 -3.947 9.298 1.00 0.00 C ATOM 776 CD GLN A 126 3.588 -3.479 9.844 1.00 0.00 C ATOM 777 OE1 GLN A 126 3.811 -2.283 10.030 1.00 0.00 O ATOM 778 NE2 GLN A 126 4.484 -4.425 10.103 1.00 0.00 N ATOM 0 H GLN A 126 4.557 -3.242 7.795 1.00 0.00 H new ATOM 0 HA GLN A 126 2.496 -3.195 5.915 1.00 0.00 H new ATOM 0 HB2 GLN A 126 1.318 -4.579 7.480 1.00 0.00 H new ATOM 0 HB3 GLN A 126 3.017 -4.993 7.594 1.00 0.00 H new ATOM 0 HG2 GLN A 126 1.493 -3.196 9.514 1.00 0.00 H new ATOM 0 HG3 GLN A 126 1.954 -4.860 9.813 1.00 0.00 H new ATOM 0 HE21 GLN A 126 4.255 -5.404 9.933 1.00 0.00 H new ATOM 0 HE22 GLN A 126 5.401 -4.172 10.472 1.00 0.00 H new ATOM 787 N ILE A 127 0.976 -1.317 6.378 1.00 0.00 N ATOM 788 CA ILE A 127 0.064 -0.205 6.610 1.00 0.00 C ATOM 789 C ILE A 127 -1.267 -0.696 7.169 1.00 0.00 C ATOM 790 O ILE A 127 -1.836 -1.670 6.676 1.00 0.00 O ATOM 791 CB ILE A 127 -0.199 0.587 5.317 1.00 0.00 C ATOM 792 CG1 ILE A 127 1.123 1.024 4.682 1.00 0.00 C ATOM 793 CG2 ILE A 127 -1.080 1.794 5.604 1.00 0.00 C ATOM 794 CD1 ILE A 127 1.907 2.003 5.529 1.00 0.00 C ATOM 0 H ILE A 127 0.971 -1.675 5.423 1.00 0.00 H new ATOM 0 HA ILE A 127 0.544 0.450 7.337 1.00 0.00 H new ATOM 0 HB ILE A 127 -0.722 -0.060 4.613 1.00 0.00 H new ATOM 0 HG12 ILE A 127 1.737 0.142 4.498 1.00 0.00 H new ATOM 0 HG13 ILE A 127 0.918 1.478 3.712 1.00 0.00 H new ATOM 0 HG21 ILE A 127 -1.257 2.344 4.679 1.00 0.00 H new ATOM 0 HG22 ILE A 127 -2.033 1.460 6.015 1.00 0.00 H new ATOM 0 HG23 ILE A 127 -0.583 2.445 6.323 1.00 0.00 H new ATOM 0 HD11 ILE A 127 2.832 2.268 5.016 1.00 0.00 H new ATOM 0 HD12 ILE A 127 1.312 2.901 5.692 1.00 0.00 H new ATOM 0 HD13 ILE A 127 2.143 1.545 6.490 1.00 0.00 H new ATOM 806 N GLU A 128 -1.756 -0.019 8.203 1.00 0.00 N ATOM 807 CA GLU A 128 -3.020 -0.389 8.829 1.00 0.00 C ATOM 808 C GLU A 128 -4.110 0.627 8.500 1.00 0.00 C ATOM 809 O GLU A 128 -4.017 1.796 8.874 1.00 0.00 O ATOM 810 CB GLU A 128 -2.848 -0.495 10.346 1.00 0.00 C ATOM 811 CG GLU A 128 -1.495 -1.045 10.767 1.00 0.00 C ATOM 812 CD GLU A 128 -1.263 -2.461 10.279 1.00 0.00 C ATOM 813 OE1 GLU A 128 -2.063 -2.943 9.449 1.00 0.00 O ATOM 814 OE2 GLU A 128 -0.279 -3.090 10.727 1.00 0.00 O ATOM 0 H GLU A 128 -1.296 0.788 8.625 1.00 0.00 H new ATOM 0 HA GLU A 128 -3.322 -1.359 8.434 1.00 0.00 H new ATOM 0 HB2 GLU A 128 -2.984 0.492 10.789 1.00 0.00 H new ATOM 0 HB3 GLU A 128 -3.633 -1.136 10.749 1.00 0.00 H new ATOM 0 HG2 GLU A 128 -0.708 -0.398 10.380 1.00 0.00 H new ATOM 0 HG3 GLU A 128 -1.420 -1.023 11.854 1.00 0.00 H new ATOM 821 N ALA A 129 -5.142 0.172 7.796 1.00 0.00 N ATOM 822 CA ALA A 129 -6.249 1.041 7.416 1.00 0.00 C ATOM 823 C ALA A 129 -6.581 2.027 8.530 1.00 0.00 C ATOM 824 O ALA A 129 -7.038 1.635 9.604 1.00 0.00 O ATOM 825 CB ALA A 129 -7.474 0.210 7.063 1.00 0.00 C ATOM 0 H ALA A 129 -5.234 -0.793 7.478 1.00 0.00 H new ATOM 0 HA ALA A 129 -5.945 1.613 6.539 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -8.293 0.871 6.781 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -7.237 -0.451 6.229 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -7.770 -0.387 7.926 1.00 0.00 H new ATOM 831 N ASP A 130 -6.348 3.309 8.270 1.00 0.00 N ATOM 832 CA ASP A 130 -6.623 4.352 9.253 1.00 0.00 C ATOM 833 C ASP A 130 -8.012 4.945 9.044 1.00 0.00 C ATOM 834 O ASP A 130 -8.538 5.641 9.912 1.00 0.00 O ATOM 835 CB ASP A 130 -5.567 5.454 9.167 1.00 0.00 C ATOM 836 CG ASP A 130 -5.469 6.054 7.779 1.00 0.00 C ATOM 837 OD1 ASP A 130 -6.128 5.528 6.857 1.00 0.00 O ATOM 838 OD2 ASP A 130 -4.735 7.050 7.612 1.00 0.00 O ATOM 0 H ASP A 130 -5.969 3.651 7.387 1.00 0.00 H new ATOM 0 HA ASP A 130 -6.587 3.900 10.244 1.00 0.00 H new ATOM 0 HB2 ASP A 130 -5.807 6.240 9.883 1.00 0.00 H new ATOM 0 HB3 ASP A 130 -4.597 5.047 9.453 1.00 0.00 H new ATOM 843 N LYS A 131 -8.602 4.663 7.886 1.00 0.00 N ATOM 844 CA LYS A 131 -9.931 5.168 7.563 1.00 0.00 C ATOM 845 C LYS A 131 -10.547 4.375 6.415 1.00 0.00 C ATOM 846 O LYS A 131 -9.945 4.239 5.349 1.00 0.00 O ATOM 847 CB LYS A 131 -9.862 6.651 7.195 1.00 0.00 C ATOM 848 CG LYS A 131 -9.500 6.901 5.741 1.00 0.00 C ATOM 849 CD LYS A 131 -9.204 8.369 5.486 1.00 0.00 C ATOM 850 CE LYS A 131 -10.404 9.243 5.808 1.00 0.00 C ATOM 851 NZ LYS A 131 -10.257 10.617 5.253 1.00 0.00 N ATOM 0 H LYS A 131 -8.180 4.088 7.157 1.00 0.00 H new ATOM 0 HA LYS A 131 -10.562 5.050 8.444 1.00 0.00 H new ATOM 0 HB2 LYS A 131 -10.826 7.114 7.405 1.00 0.00 H new ATOM 0 HB3 LYS A 131 -9.127 7.141 7.833 1.00 0.00 H new ATOM 0 HG2 LYS A 131 -8.630 6.301 5.473 1.00 0.00 H new ATOM 0 HG3 LYS A 131 -10.320 6.577 5.100 1.00 0.00 H new ATOM 0 HD2 LYS A 131 -8.353 8.680 6.092 1.00 0.00 H new ATOM 0 HD3 LYS A 131 -8.921 8.508 4.443 1.00 0.00 H new ATOM 0 HE2 LYS A 131 -11.306 8.783 5.404 1.00 0.00 H new ATOM 0 HE3 LYS A 131 -10.532 9.300 6.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 -11.097 11.181 5.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 -9.410 11.066 5.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 -10.161 10.565 4.219 1.00 0.00 H new ATOM 865 N SER A 132 -11.748 3.853 6.639 1.00 0.00 N ATOM 866 CA SER A 132 -12.444 3.074 5.623 1.00 0.00 C ATOM 867 C SER A 132 -12.392 3.772 4.269 1.00 0.00 C ATOM 868 O SER A 132 -12.871 4.897 4.121 1.00 0.00 O ATOM 869 CB SER A 132 -13.898 2.841 6.036 1.00 0.00 C ATOM 870 OG SER A 132 -14.473 4.023 6.567 1.00 0.00 O ATOM 0 H SER A 132 -12.259 3.956 7.516 1.00 0.00 H new ATOM 0 HA SER A 132 -11.941 2.111 5.533 1.00 0.00 H new ATOM 0 HB2 SER A 132 -14.475 2.508 5.174 1.00 0.00 H new ATOM 0 HB3 SER A 132 -13.945 2.044 6.779 1.00 0.00 H new ATOM 0 HG SER A 132 -14.207 4.791 6.019 1.00 0.00 H new ATOM 876 N GLY A 133 -11.807 3.099 3.285 1.00 0.00 N ATOM 877 CA GLY A 133 -11.702 3.669 1.954 1.00 0.00 C ATOM 878 C GLY A 133 -11.862 2.628 0.865 1.00 0.00 C ATOM 879 O GLY A 133 -12.266 1.496 1.133 1.00 0.00 O ATOM 0 H GLY A 133 -11.403 2.168 3.385 1.00 0.00 H new ATOM 0 HA2 GLY A 133 -12.463 4.440 1.831 1.00 0.00 H new ATOM 0 HA3 GLY A 133 -10.734 4.157 1.846 1.00 0.00 H new ATOM 883 N THR A 134 -11.550 3.010 -0.369 1.00 0.00 N ATOM 884 CA THR A 134 -11.666 2.098 -1.500 1.00 0.00 C ATOM 885 C THR A 134 -10.547 2.326 -2.511 1.00 0.00 C ATOM 886 O THR A 134 -10.551 3.318 -3.239 1.00 0.00 O ATOM 887 CB THR A 134 -13.017 2.276 -2.187 1.00 0.00 C ATOM 888 OG1 THR A 134 -14.069 2.264 -1.238 1.00 0.00 O ATOM 889 CG2 THR A 134 -13.305 1.204 -3.212 1.00 0.00 C ATOM 0 H THR A 134 -11.216 3.943 -0.611 1.00 0.00 H new ATOM 0 HA THR A 134 -11.584 1.081 -1.116 1.00 0.00 H new ATOM 0 HB THR A 134 -12.962 3.238 -2.696 1.00 0.00 H new ATOM 0 HG1 THR A 134 -14.926 2.381 -1.698 1.00 0.00 H new ATOM 0 HG21 THR A 134 -14.280 1.386 -3.665 1.00 0.00 H new ATOM 0 HG22 THR A 134 -12.536 1.223 -3.985 1.00 0.00 H new ATOM 0 HG23 THR A 134 -13.307 0.228 -2.727 1.00 0.00 H new ATOM 897 N VAL A 135 -9.598 1.398 -2.561 1.00 0.00 N ATOM 898 CA VAL A 135 -8.487 1.504 -3.496 1.00 0.00 C ATOM 899 C VAL A 135 -8.996 1.887 -4.881 1.00 0.00 C ATOM 900 O VAL A 135 -10.050 1.421 -5.310 1.00 0.00 O ATOM 901 CB VAL A 135 -7.705 0.181 -3.594 1.00 0.00 C ATOM 902 CG1 VAL A 135 -8.634 -0.960 -3.976 1.00 0.00 C ATOM 903 CG2 VAL A 135 -6.564 0.308 -4.591 1.00 0.00 C ATOM 0 H VAL A 135 -9.576 0.568 -1.968 1.00 0.00 H new ATOM 0 HA VAL A 135 -7.817 2.278 -3.121 1.00 0.00 H new ATOM 0 HB VAL A 135 -7.278 -0.042 -2.616 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -8.064 -1.887 -4.041 1.00 0.00 H new ATOM 0 HG12 VAL A 135 -9.412 -1.064 -3.220 1.00 0.00 H new ATOM 0 HG13 VAL A 135 -9.093 -0.748 -4.942 1.00 0.00 H new ATOM 0 HG21 VAL A 135 -6.023 -0.636 -4.647 1.00 0.00 H new ATOM 0 HG22 VAL A 135 -6.965 0.555 -5.574 1.00 0.00 H new ATOM 0 HG23 VAL A 135 -5.885 1.097 -4.268 1.00 0.00 H new ATOM 913 N LYS A 136 -8.254 2.743 -5.574 1.00 0.00 N ATOM 914 CA LYS A 136 -8.654 3.182 -6.901 1.00 0.00 C ATOM 915 C LYS A 136 -7.597 2.832 -7.935 1.00 0.00 C ATOM 916 O LYS A 136 -7.875 2.805 -9.134 1.00 0.00 O ATOM 917 CB LYS A 136 -8.910 4.688 -6.897 1.00 0.00 C ATOM 918 CG LYS A 136 -10.152 5.084 -6.119 1.00 0.00 C ATOM 919 CD LYS A 136 -10.220 6.586 -5.905 1.00 0.00 C ATOM 920 CE LYS A 136 -11.321 7.219 -6.741 1.00 0.00 C ATOM 921 NZ LYS A 136 -11.473 8.673 -6.454 1.00 0.00 N ATOM 0 H LYS A 136 -7.378 3.144 -5.240 1.00 0.00 H new ATOM 0 HA LYS A 136 -9.574 2.663 -7.170 1.00 0.00 H new ATOM 0 HB2 LYS A 136 -8.045 5.195 -6.470 1.00 0.00 H new ATOM 0 HB3 LYS A 136 -9.008 5.036 -7.925 1.00 0.00 H new ATOM 0 HG2 LYS A 136 -11.040 4.751 -6.656 1.00 0.00 H new ATOM 0 HG3 LYS A 136 -10.155 4.578 -5.154 1.00 0.00 H new ATOM 0 HD2 LYS A 136 -10.396 6.797 -4.850 1.00 0.00 H new ATOM 0 HD3 LYS A 136 -9.261 7.035 -6.164 1.00 0.00 H new ATOM 0 HE2 LYS A 136 -11.099 7.080 -7.799 1.00 0.00 H new ATOM 0 HE3 LYS A 136 -12.264 6.710 -6.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 -12.234 9.066 -7.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 -11.710 8.806 -5.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 -10.581 9.164 -6.667 1.00 0.00 H new ATOM 935 N ALA A 137 -6.381 2.566 -7.472 1.00 0.00 N ATOM 936 CA ALA A 137 -5.295 2.220 -8.375 1.00 0.00 C ATOM 937 C ALA A 137 -3.937 2.346 -7.699 1.00 0.00 C ATOM 938 O ALA A 137 -3.764 3.130 -6.765 1.00 0.00 O ATOM 939 CB ALA A 137 -5.352 3.109 -9.603 1.00 0.00 C ATOM 0 H ALA A 137 -6.126 2.583 -6.485 1.00 0.00 H new ATOM 0 HA ALA A 137 -5.419 1.178 -8.669 1.00 0.00 H new ATOM 0 HB1 ALA A 137 -4.537 2.849 -10.279 1.00 0.00 H new ATOM 0 HB2 ALA A 137 -6.305 2.966 -10.112 1.00 0.00 H new ATOM 0 HB3 ALA A 137 -5.254 4.152 -9.302 1.00 0.00 H new ATOM 945 N ILE A 138 -2.971 1.573 -8.186 1.00 0.00 N ATOM 946 CA ILE A 138 -1.623 1.597 -7.639 1.00 0.00 C ATOM 947 C ILE A 138 -0.662 2.271 -8.613 1.00 0.00 C ATOM 948 O ILE A 138 0.077 1.602 -9.336 1.00 0.00 O ATOM 949 CB ILE A 138 -1.110 0.177 -7.323 1.00 0.00 C ATOM 950 CG1 ILE A 138 -2.273 -0.817 -7.275 1.00 0.00 C ATOM 951 CG2 ILE A 138 -0.353 0.175 -6.008 1.00 0.00 C ATOM 952 CD1 ILE A 138 -3.304 -0.489 -6.216 1.00 0.00 C ATOM 0 H ILE A 138 -3.099 0.922 -8.960 1.00 0.00 H new ATOM 0 HA ILE A 138 -1.664 2.165 -6.710 1.00 0.00 H new ATOM 0 HB ILE A 138 -0.430 -0.132 -8.117 1.00 0.00 H new ATOM 0 HG12 ILE A 138 -2.760 -0.842 -8.250 1.00 0.00 H new ATOM 0 HG13 ILE A 138 -1.879 -1.816 -7.090 1.00 0.00 H new ATOM 0 HG21 ILE A 138 0.004 -0.833 -5.795 1.00 0.00 H new ATOM 0 HG22 ILE A 138 0.497 0.854 -6.076 1.00 0.00 H new ATOM 0 HG23 ILE A 138 -1.015 0.502 -5.206 1.00 0.00 H new ATOM 0 HD11 ILE A 138 -4.099 -1.234 -6.239 1.00 0.00 H new ATOM 0 HD12 ILE A 138 -2.831 -0.493 -5.234 1.00 0.00 H new ATOM 0 HD13 ILE A 138 -3.726 0.497 -6.412 1.00 0.00 H new ATOM 964 N LEU A 139 -0.681 3.601 -8.628 1.00 0.00 N ATOM 965 CA LEU A 139 0.186 4.367 -9.514 1.00 0.00 C ATOM 966 C LEU A 139 1.603 3.811 -9.494 1.00 0.00 C ATOM 967 O LEU A 139 2.356 3.959 -10.457 1.00 0.00 O ATOM 968 CB LEU A 139 0.196 5.841 -9.104 1.00 0.00 C ATOM 969 CG LEU A 139 -1.184 6.460 -8.879 1.00 0.00 C ATOM 970 CD1 LEU A 139 -1.106 7.978 -8.930 1.00 0.00 C ATOM 971 CD2 LEU A 139 -2.174 5.941 -9.910 1.00 0.00 C ATOM 0 H LEU A 139 -1.287 4.169 -8.036 1.00 0.00 H new ATOM 0 HA LEU A 139 -0.205 4.284 -10.528 1.00 0.00 H new ATOM 0 HB2 LEU A 139 0.777 5.943 -8.187 1.00 0.00 H new ATOM 0 HB3 LEU A 139 0.713 6.413 -9.875 1.00 0.00 H new ATOM 0 HG LEU A 139 -1.533 6.169 -7.888 1.00 0.00 H new ATOM 0 HD11 LEU A 139 -2.098 8.399 -8.768 1.00 0.00 H new ATOM 0 HD12 LEU A 139 -0.429 8.334 -8.153 1.00 0.00 H new ATOM 0 HD13 LEU A 139 -0.734 8.291 -9.906 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -3.151 6.392 -9.735 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -1.828 6.201 -10.910 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -2.254 4.857 -9.824 1.00 0.00 H new ATOM 983 N VAL A 140 1.957 3.169 -8.389 1.00 0.00 N ATOM 984 CA VAL A 140 3.280 2.584 -8.233 1.00 0.00 C ATOM 985 C VAL A 140 3.236 1.077 -8.428 1.00 0.00 C ATOM 986 O VAL A 140 2.254 0.425 -8.073 1.00 0.00 O ATOM 987 CB VAL A 140 3.854 2.874 -6.836 1.00 0.00 C ATOM 988 CG1 VAL A 140 5.132 2.081 -6.609 1.00 0.00 C ATOM 989 CG2 VAL A 140 4.102 4.364 -6.658 1.00 0.00 C ATOM 0 H VAL A 140 1.343 3.040 -7.585 1.00 0.00 H new ATOM 0 HA VAL A 140 3.918 3.036 -8.992 1.00 0.00 H new ATOM 0 HB VAL A 140 3.123 2.561 -6.091 1.00 0.00 H new ATOM 0 HG11 VAL A 140 5.524 2.299 -5.615 1.00 0.00 H new ATOM 0 HG12 VAL A 140 4.918 1.015 -6.689 1.00 0.00 H new ATOM 0 HG13 VAL A 140 5.871 2.360 -7.360 1.00 0.00 H new ATOM 0 HG21 VAL A 140 4.508 4.549 -5.664 1.00 0.00 H new ATOM 0 HG22 VAL A 140 4.813 4.707 -7.410 1.00 0.00 H new ATOM 0 HG23 VAL A 140 3.163 4.905 -6.773 1.00 0.00 H new ATOM 999 N GLU A 141 4.308 0.520 -8.979 1.00 0.00 N ATOM 1000 CA GLU A 141 4.380 -0.915 -9.195 1.00 0.00 C ATOM 1001 C GLU A 141 4.040 -1.644 -7.903 1.00 0.00 C ATOM 1002 O GLU A 141 3.671 -1.017 -6.910 1.00 0.00 O ATOM 1003 CB GLU A 141 5.776 -1.316 -9.673 1.00 0.00 C ATOM 1004 CG GLU A 141 6.121 -0.786 -11.056 1.00 0.00 C ATOM 1005 CD GLU A 141 7.105 -1.675 -11.790 1.00 0.00 C ATOM 1006 OE1 GLU A 141 6.658 -2.623 -12.470 1.00 0.00 O ATOM 1007 OE2 GLU A 141 8.324 -1.422 -11.688 1.00 0.00 O ATOM 0 H GLU A 141 5.133 1.038 -9.282 1.00 0.00 H new ATOM 0 HA GLU A 141 3.660 -1.192 -9.965 1.00 0.00 H new ATOM 0 HB2 GLU A 141 6.514 -0.951 -8.959 1.00 0.00 H new ATOM 0 HB3 GLU A 141 5.850 -2.403 -9.681 1.00 0.00 H new ATOM 0 HG2 GLU A 141 5.208 -0.696 -11.645 1.00 0.00 H new ATOM 0 HG3 GLU A 141 6.541 0.216 -10.963 1.00 0.00 H new ATOM 1014 N SER A 142 4.164 -2.962 -7.908 1.00 0.00 N ATOM 1015 CA SER A 142 3.863 -3.745 -6.719 1.00 0.00 C ATOM 1016 C SER A 142 5.045 -3.751 -5.758 1.00 0.00 C ATOM 1017 O SER A 142 4.905 -3.390 -4.593 1.00 0.00 O ATOM 1018 CB SER A 142 3.496 -5.176 -7.089 1.00 0.00 C ATOM 1019 OG SER A 142 3.632 -5.398 -8.482 1.00 0.00 O ATOM 0 H SER A 142 4.468 -3.508 -8.714 1.00 0.00 H new ATOM 0 HA SER A 142 3.010 -3.279 -6.226 1.00 0.00 H new ATOM 0 HB2 SER A 142 4.135 -5.870 -6.544 1.00 0.00 H new ATOM 0 HB3 SER A 142 2.470 -5.381 -6.784 1.00 0.00 H new ATOM 0 HG SER A 142 3.392 -6.325 -8.691 1.00 0.00 H new ATOM 1025 N GLY A 143 6.206 -4.167 -6.253 1.00 0.00 N ATOM 1026 CA GLY A 143 7.392 -4.216 -5.422 1.00 0.00 C ATOM 1027 C GLY A 143 8.557 -3.469 -6.029 1.00 0.00 C ATOM 1028 O GLY A 143 9.210 -3.962 -6.949 1.00 0.00 O ATOM 0 H GLY A 143 6.346 -4.471 -7.217 1.00 0.00 H new ATOM 0 HA2 GLY A 143 7.164 -3.793 -4.444 1.00 0.00 H new ATOM 0 HA3 GLY A 143 7.676 -5.256 -5.261 1.00 0.00 H new ATOM 1032 N GLN A 144 8.822 -2.276 -5.510 1.00 0.00 N ATOM 1033 CA GLN A 144 9.922 -1.464 -6.012 1.00 0.00 C ATOM 1034 C GLN A 144 10.262 -0.331 -5.047 1.00 0.00 C ATOM 1035 O GLN A 144 9.401 0.155 -4.312 1.00 0.00 O ATOM 1036 CB GLN A 144 9.574 -0.891 -7.386 1.00 0.00 C ATOM 1037 CG GLN A 144 8.615 0.286 -7.330 1.00 0.00 C ATOM 1038 CD GLN A 144 9.087 1.463 -8.162 1.00 0.00 C ATOM 1039 OE1 GLN A 144 8.664 1.641 -9.303 1.00 0.00 O ATOM 1040 NE2 GLN A 144 9.968 2.275 -7.590 1.00 0.00 N ATOM 0 H GLN A 144 8.294 -1.852 -4.747 1.00 0.00 H new ATOM 0 HA GLN A 144 10.797 -2.108 -6.102 1.00 0.00 H new ATOM 0 HB2 GLN A 144 10.492 -0.577 -7.883 1.00 0.00 H new ATOM 0 HB3 GLN A 144 9.134 -1.678 -7.998 1.00 0.00 H new ATOM 0 HG2 GLN A 144 7.634 -0.033 -7.682 1.00 0.00 H new ATOM 0 HG3 GLN A 144 8.495 0.603 -6.294 1.00 0.00 H new ATOM 0 HE21 GLN A 144 10.292 2.089 -6.641 1.00 0.00 H new ATOM 0 HE22 GLN A 144 10.321 3.085 -8.100 1.00 0.00 H new ATOM 1049 N PRO A 145 11.529 0.104 -5.046 1.00 0.00 N ATOM 1050 CA PRO A 145 12.001 1.187 -4.175 1.00 0.00 C ATOM 1051 C PRO A 145 11.326 2.519 -4.483 1.00 0.00 C ATOM 1052 O PRO A 145 11.253 2.938 -5.638 1.00 0.00 O ATOM 1053 CB PRO A 145 13.502 1.267 -4.475 1.00 0.00 C ATOM 1054 CG PRO A 145 13.662 0.636 -5.814 1.00 0.00 C ATOM 1055 CD PRO A 145 12.605 -0.426 -5.899 1.00 0.00 C ATOM 0 HA PRO A 145 11.774 0.988 -3.128 1.00 0.00 H new ATOM 0 HB2 PRO A 145 13.848 2.300 -4.482 1.00 0.00 H new ATOM 0 HB3 PRO A 145 14.084 0.741 -3.719 1.00 0.00 H new ATOM 0 HG2 PRO A 145 13.541 1.372 -6.609 1.00 0.00 H new ATOM 0 HG3 PRO A 145 14.657 0.206 -5.926 1.00 0.00 H new ATOM 0 HD2 PRO A 145 12.268 -0.578 -6.924 1.00 0.00 H new ATOM 0 HD3 PRO A 145 12.970 -1.387 -5.537 1.00 0.00 H new ATOM 1063 N VAL A 146 10.836 3.180 -3.440 1.00 0.00 N ATOM 1064 CA VAL A 146 10.168 4.467 -3.594 1.00 0.00 C ATOM 1065 C VAL A 146 10.684 5.473 -2.572 1.00 0.00 C ATOM 1066 O VAL A 146 11.510 5.141 -1.722 1.00 0.00 O ATOM 1067 CB VAL A 146 8.642 4.332 -3.441 1.00 0.00 C ATOM 1068 CG1 VAL A 146 7.996 4.010 -4.780 1.00 0.00 C ATOM 1069 CG2 VAL A 146 8.300 3.270 -2.407 1.00 0.00 C ATOM 0 H VAL A 146 10.889 2.845 -2.478 1.00 0.00 H new ATOM 0 HA VAL A 146 10.391 4.823 -4.600 1.00 0.00 H new ATOM 0 HB VAL A 146 8.246 5.286 -3.093 1.00 0.00 H new ATOM 0 HG11 VAL A 146 6.918 3.918 -4.651 1.00 0.00 H new ATOM 0 HG12 VAL A 146 8.210 4.810 -5.489 1.00 0.00 H new ATOM 0 HG13 VAL A 146 8.397 3.071 -5.161 1.00 0.00 H new ATOM 0 HG21 VAL A 146 7.217 3.189 -2.313 1.00 0.00 H new ATOM 0 HG22 VAL A 146 8.710 2.310 -2.722 1.00 0.00 H new ATOM 0 HG23 VAL A 146 8.728 3.549 -1.444 1.00 0.00 H new ATOM 1079 N GLU A 147 10.193 6.705 -2.659 1.00 0.00 N ATOM 1080 CA GLU A 147 10.607 7.758 -1.740 1.00 0.00 C ATOM 1081 C GLU A 147 9.399 8.523 -1.206 1.00 0.00 C ATOM 1082 O GLU A 147 8.337 8.539 -1.826 1.00 0.00 O ATOM 1083 CB GLU A 147 11.568 8.723 -2.437 1.00 0.00 C ATOM 1084 CG GLU A 147 13.027 8.498 -2.078 1.00 0.00 C ATOM 1085 CD GLU A 147 13.857 9.761 -2.193 1.00 0.00 C ATOM 1086 OE1 GLU A 147 13.412 10.813 -1.686 1.00 0.00 O ATOM 1087 OE2 GLU A 147 14.953 9.700 -2.790 1.00 0.00 O ATOM 0 H GLU A 147 9.509 6.998 -3.356 1.00 0.00 H new ATOM 0 HA GLU A 147 11.118 7.290 -0.899 1.00 0.00 H new ATOM 0 HB2 GLU A 147 11.449 8.624 -3.516 1.00 0.00 H new ATOM 0 HB3 GLU A 147 11.293 9.746 -2.179 1.00 0.00 H new ATOM 0 HG2 GLU A 147 13.092 8.117 -1.059 1.00 0.00 H new ATOM 0 HG3 GLU A 147 13.444 7.733 -2.732 1.00 0.00 H new ATOM 1094 N PHE A 148 9.569 9.154 -0.050 1.00 0.00 N ATOM 1095 CA PHE A 148 8.491 9.919 0.565 1.00 0.00 C ATOM 1096 C PHE A 148 7.714 10.708 -0.487 1.00 0.00 C ATOM 1097 O PHE A 148 8.251 11.056 -1.537 1.00 0.00 O ATOM 1098 CB PHE A 148 9.053 10.870 1.622 1.00 0.00 C ATOM 1099 CG PHE A 148 7.995 11.518 2.469 1.00 0.00 C ATOM 1100 CD1 PHE A 148 6.882 10.797 2.886 1.00 0.00 C ATOM 1101 CD2 PHE A 148 8.113 12.850 2.852 1.00 0.00 C ATOM 1102 CE1 PHE A 148 5.905 11.393 3.669 1.00 0.00 C ATOM 1103 CE2 PHE A 148 7.140 13.451 3.635 1.00 0.00 C ATOM 1104 CZ PHE A 148 6.035 12.721 4.044 1.00 0.00 C ATOM 0 H PHE A 148 10.441 9.151 0.479 1.00 0.00 H new ATOM 0 HA PHE A 148 7.808 9.218 1.044 1.00 0.00 H new ATOM 0 HB2 PHE A 148 9.737 10.319 2.268 1.00 0.00 H new ATOM 0 HB3 PHE A 148 9.637 11.646 1.127 1.00 0.00 H new ATOM 0 HD1 PHE A 148 6.777 9.762 2.597 1.00 0.00 H new ATOM 0 HD2 PHE A 148 8.973 13.422 2.536 1.00 0.00 H new ATOM 0 HE1 PHE A 148 5.044 10.823 3.986 1.00 0.00 H new ATOM 0 HE2 PHE A 148 7.243 14.486 3.926 1.00 0.00 H new ATOM 0 HZ PHE A 148 5.276 13.187 4.655 1.00 0.00 H new ATOM 1114 N ASP A 149 6.447 10.989 -0.191 1.00 0.00 N ATOM 1115 CA ASP A 149 5.590 11.740 -1.103 1.00 0.00 C ATOM 1116 C ASP A 149 5.543 11.096 -2.485 1.00 0.00 C ATOM 1117 O ASP A 149 5.327 11.776 -3.489 1.00 0.00 O ATOM 1118 CB ASP A 149 6.073 13.189 -1.216 1.00 0.00 C ATOM 1119 CG ASP A 149 7.255 13.336 -2.153 1.00 0.00 C ATOM 1120 OD1 ASP A 149 7.038 13.364 -3.384 1.00 0.00 O ATOM 1121 OD2 ASP A 149 8.398 13.423 -1.657 1.00 0.00 O ATOM 0 H ASP A 149 5.991 10.706 0.676 1.00 0.00 H new ATOM 0 HA ASP A 149 4.581 11.729 -0.692 1.00 0.00 H new ATOM 0 HB2 ASP A 149 5.254 13.815 -1.569 1.00 0.00 H new ATOM 0 HB3 ASP A 149 6.350 13.554 -0.227 1.00 0.00 H new ATOM 1126 N GLU A 150 5.736 9.782 -2.533 1.00 0.00 N ATOM 1127 CA GLU A 150 5.703 9.053 -3.796 1.00 0.00 C ATOM 1128 C GLU A 150 4.430 8.221 -3.905 1.00 0.00 C ATOM 1129 O GLU A 150 4.464 6.998 -3.771 1.00 0.00 O ATOM 1130 CB GLU A 150 6.929 8.146 -3.924 1.00 0.00 C ATOM 1131 CG GLU A 150 6.962 7.346 -5.215 1.00 0.00 C ATOM 1132 CD GLU A 150 6.963 8.229 -6.448 1.00 0.00 C ATOM 1133 OE1 GLU A 150 8.056 8.670 -6.861 1.00 0.00 O ATOM 1134 OE2 GLU A 150 5.871 8.479 -7.000 1.00 0.00 O ATOM 0 H GLU A 150 5.916 9.201 -1.714 1.00 0.00 H new ATOM 0 HA GLU A 150 5.716 9.781 -4.607 1.00 0.00 H new ATOM 0 HB2 GLU A 150 7.830 8.756 -3.861 1.00 0.00 H new ATOM 0 HB3 GLU A 150 6.951 7.458 -3.079 1.00 0.00 H new ATOM 0 HG2 GLU A 150 7.850 6.714 -5.224 1.00 0.00 H new ATOM 0 HG3 GLU A 150 6.098 6.682 -5.249 1.00 0.00 H new ATOM 1141 N PRO A 151 3.288 8.878 -4.157 1.00 0.00 N ATOM 1142 CA PRO A 151 1.999 8.212 -4.292 1.00 0.00 C ATOM 1143 C PRO A 151 2.130 6.804 -4.870 1.00 0.00 C ATOM 1144 O PRO A 151 2.778 6.603 -5.896 1.00 0.00 O ATOM 1145 CB PRO A 151 1.267 9.136 -5.257 1.00 0.00 C ATOM 1146 CG PRO A 151 1.775 10.505 -4.924 1.00 0.00 C ATOM 1147 CD PRO A 151 3.162 10.334 -4.340 1.00 0.00 C ATOM 0 HA PRO A 151 1.491 8.065 -3.339 1.00 0.00 H new ATOM 0 HB2 PRO A 151 1.479 8.875 -6.294 1.00 0.00 H new ATOM 0 HB3 PRO A 151 0.187 9.071 -5.126 1.00 0.00 H new ATOM 0 HG2 PRO A 151 1.807 11.132 -5.815 1.00 0.00 H new ATOM 0 HG3 PRO A 151 1.115 10.998 -4.211 1.00 0.00 H new ATOM 0 HD2 PRO A 151 3.929 10.721 -5.011 1.00 0.00 H new ATOM 0 HD3 PRO A 151 3.267 10.867 -3.395 1.00 0.00 H new ATOM 1155 N LEU A 152 1.521 5.830 -4.196 1.00 0.00 N ATOM 1156 CA LEU A 152 1.583 4.442 -4.642 1.00 0.00 C ATOM 1157 C LEU A 152 0.199 3.804 -4.693 1.00 0.00 C ATOM 1158 O LEU A 152 -0.314 3.491 -5.769 1.00 0.00 O ATOM 1159 CB LEU A 152 2.480 3.620 -3.711 1.00 0.00 C ATOM 1160 CG LEU A 152 3.511 4.417 -2.912 1.00 0.00 C ATOM 1161 CD1 LEU A 152 3.464 4.021 -1.445 1.00 0.00 C ATOM 1162 CD2 LEU A 152 4.906 4.199 -3.481 1.00 0.00 C ATOM 0 H LEU A 152 0.982 5.977 -3.343 1.00 0.00 H new ATOM 0 HA LEU A 152 2.000 4.446 -5.649 1.00 0.00 H new ATOM 0 HB2 LEU A 152 1.845 3.077 -3.011 1.00 0.00 H new ATOM 0 HB3 LEU A 152 3.006 2.875 -4.308 1.00 0.00 H new ATOM 0 HG LEU A 152 3.269 5.477 -2.990 1.00 0.00 H new ATOM 0 HD11 LEU A 152 4.204 4.597 -0.889 1.00 0.00 H new ATOM 0 HD12 LEU A 152 2.471 4.224 -1.045 1.00 0.00 H new ATOM 0 HD13 LEU A 152 3.684 2.958 -1.348 1.00 0.00 H new ATOM 0 HD21 LEU A 152 5.629 4.773 -2.902 1.00 0.00 H new ATOM 0 HD22 LEU A 152 5.159 3.140 -3.430 1.00 0.00 H new ATOM 0 HD23 LEU A 152 4.931 4.528 -4.520 1.00 0.00 H new ATOM 1174 N VAL A 153 -0.388 3.595 -3.520 1.00 0.00 N ATOM 1175 CA VAL A 153 -1.700 2.973 -3.414 1.00 0.00 C ATOM 1176 C VAL A 153 -2.799 4.011 -3.214 1.00 0.00 C ATOM 1177 O VAL A 153 -2.999 4.519 -2.110 1.00 0.00 O ATOM 1178 CB VAL A 153 -1.734 1.963 -2.251 1.00 0.00 C ATOM 1179 CG1 VAL A 153 -1.044 2.539 -1.025 1.00 0.00 C ATOM 1180 CG2 VAL A 153 -3.165 1.558 -1.927 1.00 0.00 C ATOM 0 H VAL A 153 0.028 3.850 -2.624 1.00 0.00 H new ATOM 0 HA VAL A 153 -1.883 2.451 -4.353 1.00 0.00 H new ATOM 0 HB VAL A 153 -1.193 1.068 -2.559 1.00 0.00 H new ATOM 0 HG11 VAL A 153 -1.078 1.812 -0.213 1.00 0.00 H new ATOM 0 HG12 VAL A 153 -0.006 2.767 -1.265 1.00 0.00 H new ATOM 0 HG13 VAL A 153 -1.554 3.452 -0.716 1.00 0.00 H new ATOM 0 HG21 VAL A 153 -3.164 0.845 -1.103 1.00 0.00 H new ATOM 0 HG22 VAL A 153 -3.737 2.441 -1.642 1.00 0.00 H new ATOM 0 HG23 VAL A 153 -3.620 1.098 -2.804 1.00 0.00 H new ATOM 1190 N VAL A 154 -3.515 4.309 -4.291 1.00 0.00 N ATOM 1191 CA VAL A 154 -4.605 5.278 -4.248 1.00 0.00 C ATOM 1192 C VAL A 154 -5.885 4.638 -3.719 1.00 0.00 C ATOM 1193 O VAL A 154 -6.218 3.507 -4.076 1.00 0.00 O ATOM 1194 CB VAL A 154 -4.891 5.865 -5.640 1.00 0.00 C ATOM 1195 CG1 VAL A 154 -5.906 6.995 -5.546 1.00 0.00 C ATOM 1196 CG2 VAL A 154 -3.605 6.345 -6.297 1.00 0.00 C ATOM 0 H VAL A 154 -3.360 3.892 -5.209 1.00 0.00 H new ATOM 0 HA VAL A 154 -4.288 6.077 -3.578 1.00 0.00 H new ATOM 0 HB VAL A 154 -5.315 5.078 -6.263 1.00 0.00 H new ATOM 0 HG11 VAL A 154 -6.095 7.398 -6.541 1.00 0.00 H new ATOM 0 HG12 VAL A 154 -6.837 6.614 -5.125 1.00 0.00 H new ATOM 0 HG13 VAL A 154 -5.514 7.784 -4.904 1.00 0.00 H new ATOM 0 HG21 VAL A 154 -3.831 6.756 -7.281 1.00 0.00 H new ATOM 0 HG22 VAL A 154 -3.146 7.116 -5.678 1.00 0.00 H new ATOM 0 HG23 VAL A 154 -2.916 5.507 -6.404 1.00 0.00 H new ATOM 1206 N ILE A 155 -6.598 5.371 -2.869 1.00 0.00 N ATOM 1207 CA ILE A 155 -7.843 4.877 -2.290 1.00 0.00 C ATOM 1208 C ILE A 155 -8.903 5.972 -2.240 1.00 0.00 C ATOM 1209 O ILE A 155 -8.615 7.111 -1.876 1.00 0.00 O ATOM 1210 CB ILE A 155 -7.615 4.334 -0.867 1.00 0.00 C ATOM 1211 CG1 ILE A 155 -6.714 3.098 -0.907 1.00 0.00 C ATOM 1212 CG2 ILE A 155 -8.941 4.007 -0.202 1.00 0.00 C ATOM 1213 CD1 ILE A 155 -6.146 2.723 0.444 1.00 0.00 C ATOM 0 H ILE A 155 -6.335 6.309 -2.566 1.00 0.00 H new ATOM 0 HA ILE A 155 -8.194 4.069 -2.932 1.00 0.00 H new ATOM 0 HB ILE A 155 -7.118 5.105 -0.278 1.00 0.00 H new ATOM 0 HG12 ILE A 155 -7.283 2.255 -1.300 1.00 0.00 H new ATOM 0 HG13 ILE A 155 -5.893 3.279 -1.600 1.00 0.00 H new ATOM 0 HG21 ILE A 155 -8.760 3.625 0.803 1.00 0.00 H new ATOM 0 HG22 ILE A 155 -9.550 4.909 -0.143 1.00 0.00 H new ATOM 0 HG23 ILE A 155 -9.466 3.253 -0.788 1.00 0.00 H new ATOM 0 HD11 ILE A 155 -5.517 1.839 0.342 1.00 0.00 H new ATOM 0 HD12 ILE A 155 -5.549 3.550 0.830 1.00 0.00 H new ATOM 0 HD13 ILE A 155 -6.962 2.510 1.135 1.00 0.00 H new ATOM 1225 N GLU A 156 -10.133 5.621 -2.608 1.00 0.00 N ATOM 1226 CA GLU A 156 -11.235 6.577 -2.602 1.00 0.00 C ATOM 1227 C GLU A 156 -11.713 6.848 -1.180 1.00 0.00 C ATOM 1228 O GLU A 156 -12.927 6.706 -0.927 1.00 0.00 O ATOM 1229 CB GLU A 156 -12.396 6.057 -3.451 1.00 0.00 C ATOM 1230 CG GLU A 156 -13.538 7.049 -3.591 1.00 0.00 C ATOM 1231 CD GLU A 156 -14.874 6.463 -3.179 1.00 0.00 C ATOM 1232 OE1 GLU A 156 -15.163 6.442 -1.963 1.00 0.00 O ATOM 1233 OE2 GLU A 156 -15.631 6.024 -4.070 1.00 0.00 O ATOM 1234 OXT GLU A 156 -10.867 7.199 -0.329 1.00 0.00 O ATOM 0 H GLU A 156 -10.390 4.683 -2.914 1.00 0.00 H new ATOM 0 HA GLU A 156 -10.872 7.512 -3.029 1.00 0.00 H new ATOM 0 HB2 GLU A 156 -12.024 5.801 -4.443 1.00 0.00 H new ATOM 0 HB3 GLU A 156 -12.777 5.137 -3.007 1.00 0.00 H new ATOM 0 HG2 GLU A 156 -13.328 7.928 -2.981 1.00 0.00 H new ATOM 0 HG3 GLU A 156 -13.597 7.386 -4.626 1.00 0.00 H new