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= -3.95! K(o=-3.9!,f=-2.1) USER MOD Single : A 85 SER OG : rot -90:sc= -4.83! USER MOD Single : A 87 MET CE :methyl -165:sc= -0.331 (180deg=-1.09) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot 174:sc= 0.362 USER MOD Single : A 94 THR OG1 : rot 30:sc= 0.405 USER MOD Single : A 96 SER OG : rot 48:sc= 1.14 USER MOD Single : A 100 LYS NZ :NH3+ 166:sc= -0.0546 (180deg=-0.29) USER MOD Single : A 107 GLN : amide:sc= -0.473 X(o=-0.47,f=-0.3) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 ASN : amide:sc= -0.25 X(o=-0.25,f=-0.64) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0.0599 USER MOD Single : A 116 CYS SG : rot 170:sc= -0.0373! 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 -144:sc= -0.351 (180deg=-1.71!) USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 125 ASN : amide:sc= -0.149 K(o=-0.15,f=-1) USER MOD Single : A 126 GLN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 SER OG : rot 180:sc= -0.0723 USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 SER OG : rot 180:sc= 0 USER MOD Single : A 144 GLN : amide:sc= -0.55 X(o=-0.55,f=-0.73) USER MOD ----------------------------------------------------------------- ATOM 66 N GLY A 80 -9.438 11.882 -2.686 1.00 0.00 N ATOM 67 CA GLY A 80 -9.050 10.484 -2.727 1.00 0.00 C ATOM 68 C GLY A 80 -8.508 9.995 -1.398 1.00 0.00 C ATOM 69 O GLY A 80 -8.942 10.449 -0.339 1.00 0.00 O ATOM 0 HA2 GLY A 80 -9.911 9.879 -3.010 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -8.294 10.342 -3.499 1.00 0.00 H new ATOM 73 N HIS A 81 -7.557 9.067 -1.452 1.00 0.00 N ATOM 74 CA HIS A 81 -6.954 8.520 -0.241 1.00 0.00 C ATOM 75 C HIS A 81 -5.775 7.619 -0.580 1.00 0.00 C ATOM 76 O HIS A 81 -5.888 6.394 -0.547 1.00 0.00 O ATOM 77 CB HIS A 81 -7.987 7.735 0.569 1.00 0.00 C ATOM 78 CG HIS A 81 -7.407 7.055 1.771 1.00 0.00 C ATOM 79 ND1 HIS A 81 -7.500 7.572 3.046 1.00 0.00 N ATOM 80 CD2 HIS A 81 -6.719 5.891 1.889 1.00 0.00 C ATOM 81 CE1 HIS A 81 -6.894 6.760 3.894 1.00 0.00 C ATOM 82 NE2 HIS A 81 -6.414 5.733 3.217 1.00 0.00 N ATOM 0 H HIS A 81 -7.188 8.679 -2.320 1.00 0.00 H new ATOM 0 HA HIS A 81 -6.594 9.357 0.358 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -8.778 8.413 0.890 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -8.450 6.987 -0.074 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -6.460 5.215 1.087 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -6.806 6.911 4.960 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -5.899 4.949 3.617 1.00 0.00 H new ATOM 91 N ILE A 82 -4.643 8.231 -0.902 1.00 0.00 N ATOM 92 CA ILE A 82 -3.445 7.478 -1.242 1.00 0.00 C ATOM 93 C ILE A 82 -2.501 7.392 -0.053 1.00 0.00 C ATOM 94 O ILE A 82 -2.473 8.280 0.799 1.00 0.00 O ATOM 95 CB ILE A 82 -2.701 8.104 -2.434 1.00 0.00 C ATOM 96 CG1 ILE A 82 -3.697 8.526 -3.508 1.00 0.00 C ATOM 97 CG2 ILE A 82 -1.690 7.119 -2.999 1.00 0.00 C ATOM 98 CD1 ILE A 82 -3.056 9.202 -4.702 1.00 0.00 C ATOM 0 H ILE A 82 -4.530 9.244 -0.935 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.770 6.475 -1.520 1.00 0.00 H new ATOM 0 HB ILE A 82 -2.164 8.989 -2.091 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -4.243 7.647 -3.850 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -4.428 9.204 -3.067 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -1.170 7.574 -3.842 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -0.967 6.856 -2.226 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -2.206 6.220 -3.334 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -3.827 9.473 -5.424 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -2.533 10.100 -4.374 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.346 8.519 -5.169 1.00 0.00 H new ATOM 110 N VAL A 83 -1.728 6.315 0.000 1.00 0.00 N ATOM 111 CA VAL A 83 -0.782 6.113 1.090 1.00 0.00 C ATOM 112 C VAL A 83 0.618 6.566 0.694 1.00 0.00 C ATOM 113 O VAL A 83 1.557 5.772 0.692 1.00 0.00 O ATOM 114 CB VAL A 83 -0.726 4.637 1.529 1.00 0.00 C ATOM 115 CG1 VAL A 83 -0.039 4.509 2.880 1.00 0.00 C ATOM 116 CG2 VAL A 83 -2.124 4.040 1.574 1.00 0.00 C ATOM 0 H VAL A 83 -1.737 5.570 -0.697 1.00 0.00 H new ATOM 0 HA VAL A 83 -1.136 6.717 1.926 1.00 0.00 H new ATOM 0 HB VAL A 83 -0.142 4.080 0.796 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -0.008 3.460 3.175 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.978 4.896 2.809 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -0.593 5.079 3.626 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -2.064 2.997 1.886 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.735 4.597 2.284 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.576 4.097 0.584 1.00 0.00 H new ATOM 126 N ARG A 84 0.740 7.850 0.357 1.00 0.00 N ATOM 127 CA ARG A 84 2.023 8.430 -0.047 1.00 0.00 C ATOM 128 C ARG A 84 3.187 7.698 0.614 1.00 0.00 C ATOM 129 O ARG A 84 3.461 7.895 1.798 1.00 0.00 O ATOM 130 CB ARG A 84 2.088 9.920 0.312 1.00 0.00 C ATOM 131 CG ARG A 84 0.729 10.585 0.468 1.00 0.00 C ATOM 132 CD ARG A 84 -0.049 10.580 -0.838 1.00 0.00 C ATOM 133 NE ARG A 84 -1.269 11.375 -0.747 1.00 0.00 N ATOM 134 CZ ARG A 84 -1.278 12.695 -0.595 1.00 0.00 C ATOM 135 NH1 ARG A 84 -0.135 13.364 -0.524 1.00 0.00 N ATOM 136 NH2 ARG A 84 -2.429 13.347 -0.513 1.00 0.00 N ATOM 0 H ARG A 84 -0.037 8.511 0.356 1.00 0.00 H new ATOM 0 HA ARG A 84 2.104 8.320 -1.128 1.00 0.00 H new ATOM 0 HB2 ARG A 84 2.644 10.034 1.242 1.00 0.00 H new ATOM 0 HB3 ARG A 84 2.650 10.444 -0.461 1.00 0.00 H new ATOM 0 HG2 ARG A 84 0.155 10.066 1.236 1.00 0.00 H new ATOM 0 HG3 ARG A 84 0.863 11.612 0.809 1.00 0.00 H new ATOM 0 HD2 ARG A 84 0.581 10.971 -1.637 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -0.303 9.554 -1.105 1.00 0.00 H new ATOM 0 HE ARG A 84 -2.165 10.891 -0.803 1.00 0.00 H new ATOM 0 HH11 ARG A 84 0.753 12.865 -0.586 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -0.144 14.377 -0.407 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -3.310 12.835 -0.567 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -2.434 14.360 -0.396 1.00 0.00 H new ATOM 150 N SER A 85 3.859 6.850 -0.160 1.00 0.00 N ATOM 151 CA SER A 85 4.992 6.080 0.344 1.00 0.00 C ATOM 152 C SER A 85 5.754 6.854 1.414 1.00 0.00 C ATOM 153 O SER A 85 6.664 7.625 1.109 1.00 0.00 O ATOM 154 CB SER A 85 5.936 5.712 -0.803 1.00 0.00 C ATOM 155 OG SER A 85 6.535 4.446 -0.587 1.00 0.00 O ATOM 0 H SER A 85 3.638 6.679 -1.141 1.00 0.00 H new ATOM 0 HA SER A 85 4.601 5.168 0.795 1.00 0.00 H new ATOM 0 HB2 SER A 85 5.384 5.700 -1.743 1.00 0.00 H new ATOM 0 HB3 SER A 85 6.711 6.473 -0.898 1.00 0.00 H new ATOM 0 HG SER A 85 7.374 4.561 -0.093 1.00 0.00 H new ATOM 161 N PRO A 86 5.386 6.656 2.690 1.00 0.00 N ATOM 162 CA PRO A 86 6.033 7.333 3.815 1.00 0.00 C ATOM 163 C PRO A 86 7.551 7.211 3.760 1.00 0.00 C ATOM 164 O PRO A 86 8.084 6.157 3.414 1.00 0.00 O ATOM 165 CB PRO A 86 5.477 6.599 5.036 1.00 0.00 C ATOM 166 CG PRO A 86 4.157 6.076 4.591 1.00 0.00 C ATOM 167 CD PRO A 86 4.310 5.750 3.131 1.00 0.00 C ATOM 0 HA PRO A 86 5.833 8.405 3.822 1.00 0.00 H new ATOM 0 HB2 PRO A 86 6.139 5.791 5.348 1.00 0.00 H new ATOM 0 HB3 PRO A 86 5.371 7.271 5.888 1.00 0.00 H new ATOM 0 HG2 PRO A 86 3.876 5.190 5.161 1.00 0.00 H new ATOM 0 HG3 PRO A 86 3.372 6.816 4.745 1.00 0.00 H new ATOM 0 HD2 PRO A 86 4.577 4.704 2.979 1.00 0.00 H new ATOM 0 HD3 PRO A 86 3.386 5.926 2.581 1.00 0.00 H new ATOM 175 N MET A 87 8.241 8.293 4.103 1.00 0.00 N ATOM 176 CA MET A 87 9.698 8.304 4.089 1.00 0.00 C ATOM 177 C MET A 87 10.226 7.575 2.854 1.00 0.00 C ATOM 178 O MET A 87 9.471 7.289 1.924 1.00 0.00 O ATOM 179 CB MET A 87 10.242 7.654 5.363 1.00 0.00 C ATOM 180 CG MET A 87 9.672 6.271 5.628 1.00 0.00 C ATOM 181 SD MET A 87 10.246 5.569 7.186 1.00 0.00 S ATOM 182 CE MET A 87 11.958 6.094 7.185 1.00 0.00 C ATOM 0 H MET A 87 7.815 9.173 4.394 1.00 0.00 H new ATOM 0 HA MET A 87 10.038 9.339 4.050 1.00 0.00 H new ATOM 0 HB2 MET A 87 11.327 7.583 5.291 1.00 0.00 H new ATOM 0 HB3 MET A 87 10.021 8.299 6.214 1.00 0.00 H new ATOM 0 HG2 MET A 87 8.583 6.327 5.639 1.00 0.00 H new ATOM 0 HG3 MET A 87 9.949 5.606 4.810 1.00 0.00 H new ATOM 0 HE1 MET A 87 12.513 5.527 7.932 1.00 0.00 H new ATOM 0 HE2 MET A 87 12.392 5.919 6.201 1.00 0.00 H new ATOM 0 HE3 MET A 87 12.013 7.157 7.422 1.00 0.00 H new ATOM 192 N VAL A 88 11.521 7.279 2.847 1.00 0.00 N ATOM 193 CA VAL A 88 12.135 6.585 1.721 1.00 0.00 C ATOM 194 C VAL A 88 12.092 5.073 1.915 1.00 0.00 C ATOM 195 O VAL A 88 12.724 4.536 2.826 1.00 0.00 O ATOM 196 CB VAL A 88 13.597 7.023 1.519 1.00 0.00 C ATOM 197 CG1 VAL A 88 14.263 6.181 0.441 1.00 0.00 C ATOM 198 CG2 VAL A 88 13.669 8.501 1.170 1.00 0.00 C ATOM 0 H VAL A 88 12.164 7.508 3.605 1.00 0.00 H new ATOM 0 HA VAL A 88 11.558 6.851 0.835 1.00 0.00 H new ATOM 0 HB VAL A 88 14.135 6.868 2.454 1.00 0.00 H new ATOM 0 HG11 VAL A 88 15.296 6.505 0.312 1.00 0.00 H new ATOM 0 HG12 VAL A 88 14.246 5.132 0.736 1.00 0.00 H new ATOM 0 HG13 VAL A 88 13.725 6.302 -0.499 1.00 0.00 H new ATOM 0 HG21 VAL A 88 14.710 8.792 1.031 1.00 0.00 H new ATOM 0 HG22 VAL A 88 13.115 8.685 0.249 1.00 0.00 H new ATOM 0 HG23 VAL A 88 13.233 9.088 1.979 1.00 0.00 H new ATOM 208 N GLY A 89 11.343 4.391 1.055 1.00 0.00 N ATOM 209 CA GLY A 89 11.233 2.948 1.150 1.00 0.00 C ATOM 210 C GLY A 89 10.648 2.326 -0.103 1.00 0.00 C ATOM 211 O GLY A 89 10.593 2.965 -1.154 1.00 0.00 O ATOM 0 H GLY A 89 10.810 4.812 0.294 1.00 0.00 H new ATOM 0 HA2 GLY A 89 12.219 2.523 1.336 1.00 0.00 H new ATOM 0 HA3 GLY A 89 10.608 2.690 2.005 1.00 0.00 H new ATOM 215 N THR A 90 10.210 1.076 0.008 1.00 0.00 N ATOM 216 CA THR A 90 9.627 0.365 -1.124 1.00 0.00 C ATOM 217 C THR A 90 8.159 0.044 -0.867 1.00 0.00 C ATOM 218 O THR A 90 7.739 -0.118 0.280 1.00 0.00 O ATOM 219 CB THR A 90 10.401 -0.925 -1.396 1.00 0.00 C ATOM 220 OG1 THR A 90 11.786 -0.734 -1.176 1.00 0.00 O ATOM 221 CG2 THR A 90 10.225 -1.441 -2.807 1.00 0.00 C ATOM 0 H THR A 90 10.248 0.534 0.871 1.00 0.00 H new ATOM 0 HA THR A 90 9.692 1.012 -1.999 1.00 0.00 H new ATOM 0 HB THR A 90 9.990 -1.661 -0.704 1.00 0.00 H new ATOM 0 HG1 THR A 90 12.264 -1.571 -1.354 1.00 0.00 H new ATOM 0 HG21 THR A 90 10.800 -2.358 -2.933 1.00 0.00 H new ATOM 0 HG22 THR A 90 9.170 -1.646 -2.991 1.00 0.00 H new ATOM 0 HG23 THR A 90 10.577 -0.691 -3.515 1.00 0.00 H new ATOM 229 N PHE A 91 7.382 -0.047 -1.941 1.00 0.00 N ATOM 230 CA PHE A 91 5.960 -0.349 -1.830 1.00 0.00 C ATOM 231 C PHE A 91 5.653 -1.742 -2.377 1.00 0.00 C ATOM 232 O PHE A 91 6.231 -2.170 -3.378 1.00 0.00 O ATOM 233 CB PHE A 91 5.134 0.700 -2.578 1.00 0.00 C ATOM 234 CG PHE A 91 3.754 0.231 -2.942 1.00 0.00 C ATOM 235 CD1 PHE A 91 3.547 -0.533 -4.086 1.00 0.00 C ATOM 236 CD2 PHE A 91 2.662 0.551 -2.142 1.00 0.00 C ATOM 237 CE1 PHE A 91 2.277 -0.970 -4.424 1.00 0.00 C ATOM 238 CE2 PHE A 91 1.390 0.117 -2.476 1.00 0.00 C ATOM 239 CZ PHE A 91 1.198 -0.644 -3.617 1.00 0.00 C ATOM 0 H PHE A 91 7.713 0.084 -2.897 1.00 0.00 H new ATOM 0 HA PHE A 91 5.691 -0.327 -0.774 1.00 0.00 H new ATOM 0 HB2 PHE A 91 5.054 1.595 -1.961 1.00 0.00 H new ATOM 0 HB3 PHE A 91 5.663 0.986 -3.487 1.00 0.00 H new ATOM 0 HD1 PHE A 91 4.385 -0.788 -4.717 1.00 0.00 H new ATOM 0 HD2 PHE A 91 2.808 1.144 -1.251 1.00 0.00 H new ATOM 0 HE1 PHE A 91 2.128 -1.563 -5.314 1.00 0.00 H new ATOM 0 HE2 PHE A 91 0.549 0.372 -1.848 1.00 0.00 H new ATOM 0 HZ PHE A 91 0.207 -0.984 -3.878 1.00 0.00 H new ATOM 249 N TYR A 92 4.738 -2.440 -1.710 1.00 0.00 N ATOM 250 CA TYR A 92 4.345 -3.783 -2.120 1.00 0.00 C ATOM 251 C TYR A 92 2.850 -3.997 -1.912 1.00 0.00 C ATOM 252 O TYR A 92 2.224 -3.318 -1.100 1.00 0.00 O ATOM 253 CB TYR A 92 5.126 -4.832 -1.329 1.00 0.00 C ATOM 254 CG TYR A 92 6.625 -4.678 -1.433 1.00 0.00 C ATOM 255 CD1 TYR A 92 7.230 -4.427 -2.661 1.00 0.00 C ATOM 256 CD2 TYR A 92 7.437 -4.783 -0.305 1.00 0.00 C ATOM 257 CE1 TYR A 92 8.605 -4.283 -2.765 1.00 0.00 C ATOM 258 CE2 TYR A 92 8.812 -4.641 -0.399 1.00 0.00 C ATOM 259 CZ TYR A 92 9.391 -4.392 -1.631 1.00 0.00 C ATOM 260 OH TYR A 92 10.756 -4.252 -1.729 1.00 0.00 O ATOM 0 H TYR A 92 4.254 -2.096 -0.881 1.00 0.00 H new ATOM 0 HA TYR A 92 4.572 -3.890 -3.181 1.00 0.00 H new ATOM 0 HB2 TYR A 92 4.835 -4.774 -0.280 1.00 0.00 H new ATOM 0 HB3 TYR A 92 4.846 -5.824 -1.683 1.00 0.00 H new ATOM 0 HD1 TYR A 92 6.618 -4.343 -3.547 1.00 0.00 H new ATOM 0 HD2 TYR A 92 6.987 -4.978 0.657 1.00 0.00 H new ATOM 0 HE1 TYR A 92 9.060 -4.087 -3.725 1.00 0.00 H new ATOM 0 HE2 TYR A 92 9.428 -4.724 0.484 1.00 0.00 H new ATOM 0 HH TYR A 92 11.151 -4.260 -0.832 1.00 0.00 H new ATOM 270 N ARG A 93 2.288 -4.953 -2.643 1.00 0.00 N ATOM 271 CA ARG A 93 0.868 -5.264 -2.532 1.00 0.00 C ATOM 272 C ARG A 93 0.659 -6.772 -2.452 1.00 0.00 C ATOM 273 O ARG A 93 -0.429 -7.275 -2.732 1.00 0.00 O ATOM 274 CB ARG A 93 0.096 -4.687 -3.719 1.00 0.00 C ATOM 275 CG ARG A 93 0.894 -4.659 -5.010 1.00 0.00 C ATOM 276 CD ARG A 93 -0.014 -4.516 -6.220 1.00 0.00 C ATOM 277 NE ARG A 93 -0.245 -5.796 -6.885 1.00 0.00 N ATOM 278 CZ ARG A 93 -0.943 -5.927 -8.008 1.00 0.00 C ATOM 279 NH1 ARG A 93 -1.472 -4.861 -8.590 1.00 0.00 N ATOM 280 NH2 ARG A 93 -1.112 -7.126 -8.549 1.00 0.00 N ATOM 0 H ARG A 93 2.794 -5.526 -3.319 1.00 0.00 H new ATOM 0 HA ARG A 93 0.488 -4.808 -1.617 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -0.808 -5.276 -3.874 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -0.221 -3.673 -3.476 1.00 0.00 H new ATOM 0 HG2 ARG A 93 1.602 -3.830 -4.984 1.00 0.00 H new ATOM 0 HG3 ARG A 93 1.479 -5.575 -5.098 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -0.969 -4.092 -5.909 1.00 0.00 H new ATOM 0 HD3 ARG A 93 0.431 -3.815 -6.927 1.00 0.00 H new ATOM 0 HE ARG A 93 0.152 -6.636 -6.464 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -1.344 -3.938 -8.176 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -2.007 -4.964 -9.452 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -0.706 -7.949 -8.103 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -1.648 -7.226 -9.411 1.00 0.00 H new ATOM 294 N THR A 94 1.711 -7.486 -2.066 1.00 0.00 N ATOM 295 CA THR A 94 1.650 -8.937 -1.944 1.00 0.00 C ATOM 296 C THR A 94 2.029 -9.376 -0.532 1.00 0.00 C ATOM 297 O THR A 94 3.123 -9.082 -0.052 1.00 0.00 O ATOM 298 CB THR A 94 2.581 -9.596 -2.963 1.00 0.00 C ATOM 299 OG1 THR A 94 3.921 -9.181 -2.762 1.00 0.00 O ATOM 300 CG2 THR A 94 2.213 -9.284 -4.397 1.00 0.00 C ATOM 0 H THR A 94 2.618 -7.082 -1.832 1.00 0.00 H new ATOM 0 HA THR A 94 0.626 -9.253 -2.143 1.00 0.00 H new ATOM 0 HB THR A 94 2.473 -10.669 -2.802 1.00 0.00 H new ATOM 0 HG1 THR A 94 4.065 -8.987 -1.812 1.00 0.00 H new ATOM 0 HG21 THR A 94 2.912 -9.782 -5.069 1.00 0.00 H new ATOM 0 HG22 THR A 94 1.202 -9.638 -4.598 1.00 0.00 H new ATOM 0 HG23 THR A 94 2.259 -8.207 -4.558 1.00 0.00 H new ATOM 308 N PRO A 95 1.122 -10.089 0.151 1.00 0.00 N ATOM 309 CA PRO A 95 1.358 -10.571 1.516 1.00 0.00 C ATOM 310 C PRO A 95 2.659 -11.358 1.636 1.00 0.00 C ATOM 311 O PRO A 95 3.552 -10.986 2.397 1.00 0.00 O ATOM 312 CB PRO A 95 0.155 -11.478 1.787 1.00 0.00 C ATOM 313 CG PRO A 95 -0.911 -10.976 0.876 1.00 0.00 C ATOM 314 CD PRO A 95 -0.206 -10.478 -0.354 1.00 0.00 C ATOM 0 HA PRO A 95 1.457 -9.750 2.226 1.00 0.00 H new ATOM 0 HB2 PRO A 95 0.392 -12.522 1.581 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -0.157 -11.421 2.830 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -1.616 -11.769 0.627 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -1.483 -10.177 1.348 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -0.135 -11.252 -1.118 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -0.729 -9.634 -0.803 1.00 0.00 H new ATOM 322 N SER A 96 2.762 -12.446 0.878 1.00 0.00 N ATOM 323 CA SER A 96 3.958 -13.281 0.901 1.00 0.00 C ATOM 324 C SER A 96 3.741 -14.572 0.121 1.00 0.00 C ATOM 325 O SER A 96 4.367 -14.805 -0.913 1.00 0.00 O ATOM 326 CB SER A 96 4.351 -13.605 2.344 1.00 0.00 C ATOM 327 OG SER A 96 5.316 -12.686 2.829 1.00 0.00 O ATOM 0 H SER A 96 2.033 -12.769 0.242 1.00 0.00 H new ATOM 0 HA SER A 96 4.765 -12.724 0.426 1.00 0.00 H new ATOM 0 HB2 SER A 96 3.466 -13.577 2.980 1.00 0.00 H new ATOM 0 HB3 SER A 96 4.750 -14.618 2.397 1.00 0.00 H new ATOM 0 HG SER A 96 5.031 -11.772 2.620 1.00 0.00 H new ATOM 333 N PRO A 97 2.845 -15.421 0.624 1.00 0.00 N ATOM 334 CA PRO A 97 2.516 -16.708 0.003 1.00 0.00 C ATOM 335 C PRO A 97 1.771 -16.545 -1.319 1.00 0.00 C ATOM 336 O PRO A 97 0.697 -17.114 -1.509 1.00 0.00 O ATOM 337 CB PRO A 97 1.619 -17.382 1.042 1.00 0.00 C ATOM 338 CG PRO A 97 1.031 -16.257 1.824 1.00 0.00 C ATOM 339 CD PRO A 97 2.082 -15.182 1.852 1.00 0.00 C ATOM 0 HA PRO A 97 3.410 -17.280 -0.246 1.00 0.00 H new ATOM 0 HB2 PRO A 97 0.843 -17.981 0.566 1.00 0.00 H new ATOM 0 HB3 PRO A 97 2.191 -18.053 1.683 1.00 0.00 H new ATOM 0 HG2 PRO A 97 0.114 -15.895 1.359 1.00 0.00 H new ATOM 0 HG3 PRO A 97 0.772 -16.576 2.833 1.00 0.00 H new ATOM 0 HD2 PRO A 97 1.638 -14.186 1.862 1.00 0.00 H new ATOM 0 HD3 PRO A 97 2.712 -15.259 2.738 1.00 0.00 H new ATOM 347 N ASP A 98 2.349 -15.766 -2.228 1.00 0.00 N ATOM 348 CA ASP A 98 1.740 -15.530 -3.533 1.00 0.00 C ATOM 349 C ASP A 98 0.220 -15.477 -3.426 1.00 0.00 C ATOM 350 O ASP A 98 -0.491 -16.077 -4.231 1.00 0.00 O ATOM 351 CB ASP A 98 2.155 -16.625 -4.518 1.00 0.00 C ATOM 352 CG ASP A 98 1.815 -18.015 -4.015 1.00 0.00 C ATOM 353 OD1 ASP A 98 0.659 -18.226 -3.592 1.00 0.00 O ATOM 354 OD2 ASP A 98 2.703 -18.891 -4.044 1.00 0.00 O ATOM 0 H ASP A 98 3.238 -15.287 -2.085 1.00 0.00 H new ATOM 0 HA ASP A 98 2.093 -14.566 -3.900 1.00 0.00 H new ATOM 0 HB2 ASP A 98 1.660 -16.456 -5.474 1.00 0.00 H new ATOM 0 HB3 ASP A 98 3.228 -16.559 -4.699 1.00 0.00 H new ATOM 359 N ALA A 99 -0.272 -14.756 -2.424 1.00 0.00 N ATOM 360 CA ALA A 99 -1.707 -14.624 -2.210 1.00 0.00 C ATOM 361 C ALA A 99 -2.342 -13.743 -3.279 1.00 0.00 C ATOM 362 O ALA A 99 -1.772 -13.541 -4.351 1.00 0.00 O ATOM 363 CB ALA A 99 -1.985 -14.057 -0.826 1.00 0.00 C ATOM 0 H ALA A 99 0.303 -14.254 -1.747 1.00 0.00 H new ATOM 0 HA ALA A 99 -2.152 -15.617 -2.281 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -3.061 -13.964 -0.680 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -1.573 -14.725 -0.070 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -1.520 -13.075 -0.735 1.00 0.00 H new ATOM 369 N LYS A 100 -3.525 -13.219 -2.979 1.00 0.00 N ATOM 370 CA LYS A 100 -4.238 -12.357 -3.914 1.00 0.00 C ATOM 371 C LYS A 100 -3.871 -10.894 -3.691 1.00 0.00 C ATOM 372 O LYS A 100 -4.663 -9.994 -3.973 1.00 0.00 O ATOM 373 CB LYS A 100 -5.749 -12.546 -3.765 1.00 0.00 C ATOM 374 CG LYS A 100 -6.158 -13.989 -3.517 1.00 0.00 C ATOM 375 CD LYS A 100 -7.130 -14.101 -2.353 1.00 0.00 C ATOM 376 CE LYS A 100 -8.393 -13.290 -2.602 1.00 0.00 C ATOM 377 NZ LYS A 100 -8.990 -13.584 -3.934 1.00 0.00 N ATOM 0 H LYS A 100 -4.010 -13.376 -2.096 1.00 0.00 H new ATOM 0 HA LYS A 100 -3.943 -12.637 -4.925 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -6.105 -11.929 -2.940 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -6.243 -12.187 -4.668 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -6.618 -14.398 -4.417 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -5.272 -14.589 -3.311 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -7.393 -15.147 -2.196 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -6.647 -13.754 -1.440 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -9.123 -13.506 -1.822 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -8.161 -12.227 -2.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -9.957 -13.203 -3.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -8.414 -13.142 -4.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -9.017 -14.613 -4.083 1.00 0.00 H new ATOM 391 N ALA A 101 -2.665 -10.664 -3.180 1.00 0.00 N ATOM 392 CA ALA A 101 -2.192 -9.312 -2.918 1.00 0.00 C ATOM 393 C ALA A 101 -2.846 -8.735 -1.666 1.00 0.00 C ATOM 394 O ALA A 101 -3.934 -9.154 -1.275 1.00 0.00 O ATOM 395 CB ALA A 101 -2.460 -8.416 -4.117 1.00 0.00 C ATOM 0 H ALA A 101 -1.999 -11.398 -2.940 1.00 0.00 H new ATOM 0 HA ALA A 101 -1.116 -9.357 -2.747 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -2.101 -7.409 -3.906 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -1.940 -8.811 -4.990 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -3.531 -8.385 -4.316 1.00 0.00 H new ATOM 401 N PHE A 102 -2.177 -7.768 -1.045 1.00 0.00 N ATOM 402 CA PHE A 102 -2.697 -7.134 0.160 1.00 0.00 C ATOM 403 C PHE A 102 -3.922 -6.289 -0.168 1.00 0.00 C ATOM 404 O PHE A 102 -4.879 -6.235 0.605 1.00 0.00 O ATOM 405 CB PHE A 102 -1.620 -6.261 0.811 1.00 0.00 C ATOM 406 CG PHE A 102 -0.950 -6.900 1.996 1.00 0.00 C ATOM 407 CD1 PHE A 102 -1.663 -7.733 2.855 1.00 0.00 C ATOM 408 CD2 PHE A 102 0.397 -6.668 2.255 1.00 0.00 C ATOM 409 CE1 PHE A 102 -1.043 -8.320 3.948 1.00 0.00 C ATOM 410 CE2 PHE A 102 1.020 -7.252 3.346 1.00 0.00 C ATOM 411 CZ PHE A 102 0.299 -8.080 4.192 1.00 0.00 C ATOM 0 H PHE A 102 -1.275 -7.407 -1.356 1.00 0.00 H new ATOM 0 HA PHE A 102 -2.988 -7.917 0.860 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -0.863 -6.019 0.065 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -2.071 -5.319 1.125 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -2.709 -7.924 2.668 1.00 0.00 H new ATOM 0 HD2 PHE A 102 0.964 -6.025 1.598 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -1.606 -8.963 4.608 1.00 0.00 H new ATOM 0 HE2 PHE A 102 2.066 -7.062 3.537 1.00 0.00 H new ATOM 0 HZ PHE A 102 0.784 -8.538 5.041 1.00 0.00 H new ATOM 421 N ILE A 103 -3.885 -5.634 -1.324 1.00 0.00 N ATOM 422 CA ILE A 103 -4.990 -4.792 -1.764 1.00 0.00 C ATOM 423 C ILE A 103 -4.888 -4.495 -3.256 1.00 0.00 C ATOM 424 O ILE A 103 -3.807 -4.576 -3.842 1.00 0.00 O ATOM 425 CB ILE A 103 -5.032 -3.460 -0.990 1.00 0.00 C ATOM 426 CG1 ILE A 103 -3.660 -2.784 -1.017 1.00 0.00 C ATOM 427 CG2 ILE A 103 -5.486 -3.694 0.443 1.00 0.00 C ATOM 428 CD1 ILE A 103 -3.570 -1.641 -2.004 1.00 0.00 C ATOM 0 H ILE A 103 -3.100 -5.671 -1.974 1.00 0.00 H new ATOM 0 HA ILE A 103 -5.907 -5.345 -1.563 1.00 0.00 H new ATOM 0 HB ILE A 103 -5.750 -2.799 -1.474 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -3.428 -2.411 -0.019 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -2.902 -3.527 -1.264 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -5.511 -2.744 0.977 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -6.483 -4.135 0.441 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -4.790 -4.371 0.939 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -2.570 -1.209 -1.970 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -3.771 -2.012 -3.009 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -4.304 -0.878 -1.745 1.00 0.00 H new ATOM 440 N GLU A 104 -6.016 -4.150 -3.867 1.00 0.00 N ATOM 441 CA GLU A 104 -6.048 -3.844 -5.292 1.00 0.00 C ATOM 442 C GLU A 104 -7.214 -2.919 -5.628 1.00 0.00 C ATOM 443 O GLU A 104 -8.269 -2.981 -4.997 1.00 0.00 O ATOM 444 CB GLU A 104 -6.154 -5.132 -6.109 1.00 0.00 C ATOM 445 CG GLU A 104 -4.878 -5.486 -6.854 1.00 0.00 C ATOM 446 CD GLU A 104 -4.962 -6.834 -7.542 1.00 0.00 C ATOM 447 OE1 GLU A 104 -6.042 -7.162 -8.078 1.00 0.00 O ATOM 448 OE2 GLU A 104 -3.948 -7.564 -7.546 1.00 0.00 O ATOM 0 H GLU A 104 -6.919 -4.075 -3.398 1.00 0.00 H new ATOM 0 HA GLU A 104 -5.119 -3.334 -5.547 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -6.416 -5.954 -5.443 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -6.968 -5.031 -6.827 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -4.669 -4.715 -7.596 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -4.042 -5.490 -6.155 1.00 0.00 H new ATOM 455 N VAL A 105 -7.015 -2.064 -6.625 1.00 0.00 N ATOM 456 CA VAL A 105 -8.048 -1.126 -7.048 1.00 0.00 C ATOM 457 C VAL A 105 -9.408 -1.811 -7.134 1.00 0.00 C ATOM 458 O VAL A 105 -9.648 -2.630 -8.021 1.00 0.00 O ATOM 459 CB VAL A 105 -7.714 -0.498 -8.415 1.00 0.00 C ATOM 460 CG1 VAL A 105 -7.252 -1.566 -9.395 1.00 0.00 C ATOM 461 CG2 VAL A 105 -8.914 0.259 -8.964 1.00 0.00 C ATOM 0 H VAL A 105 -6.146 -2.001 -7.156 1.00 0.00 H new ATOM 0 HA VAL A 105 -8.087 -0.338 -6.296 1.00 0.00 H new ATOM 0 HB VAL A 105 -6.899 0.213 -8.278 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -7.021 -1.104 -10.355 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -6.361 -2.057 -9.005 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -8.043 -2.304 -9.529 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -8.658 0.695 -9.930 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -9.752 -0.427 -9.086 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -9.192 1.052 -8.270 1.00 0.00 H new ATOM 471 N GLY A 106 -10.295 -1.468 -6.206 1.00 0.00 N ATOM 472 CA GLY A 106 -11.621 -2.058 -6.192 1.00 0.00 C ATOM 473 C GLY A 106 -11.966 -2.671 -4.850 1.00 0.00 C ATOM 474 O GLY A 106 -13.136 -2.915 -4.552 1.00 0.00 O ATOM 0 H GLY A 106 -10.119 -0.792 -5.463 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -12.358 -1.294 -6.440 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -11.683 -2.824 -6.965 1.00 0.00 H new ATOM 478 N GLN A 107 -10.944 -2.922 -4.039 1.00 0.00 N ATOM 479 CA GLN A 107 -11.142 -3.511 -2.720 1.00 0.00 C ATOM 480 C GLN A 107 -11.453 -2.434 -1.685 1.00 0.00 C ATOM 481 O GLN A 107 -10.572 -1.678 -1.277 1.00 0.00 O ATOM 482 CB GLN A 107 -9.898 -4.297 -2.300 1.00 0.00 C ATOM 483 CG GLN A 107 -9.798 -4.523 -0.800 1.00 0.00 C ATOM 484 CD GLN A 107 -9.361 -5.933 -0.451 1.00 0.00 C ATOM 485 OE1 GLN A 107 -8.481 -6.133 0.387 1.00 0.00 O ATOM 486 NE2 GLN A 107 -9.975 -6.919 -1.093 1.00 0.00 N ATOM 0 H GLN A 107 -9.970 -2.727 -4.272 1.00 0.00 H new ATOM 0 HA GLN A 107 -11.992 -4.191 -2.775 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -9.901 -5.263 -2.805 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -9.010 -3.763 -2.639 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -9.090 -3.811 -0.375 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -10.766 -4.322 -0.341 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -10.699 -6.708 -1.780 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -9.723 -7.888 -0.900 1.00 0.00 H new ATOM 495 N LYS A 108 -12.713 -2.369 -1.267 1.00 0.00 N ATOM 496 CA LYS A 108 -13.142 -1.385 -0.282 1.00 0.00 C ATOM 497 C LYS A 108 -12.507 -1.663 1.078 1.00 0.00 C ATOM 498 O LYS A 108 -13.142 -2.228 1.967 1.00 0.00 O ATOM 499 CB LYS A 108 -14.667 -1.391 -0.157 1.00 0.00 C ATOM 500 CG LYS A 108 -15.379 -1.810 -1.432 1.00 0.00 C ATOM 501 CD LYS A 108 -16.825 -1.342 -1.443 1.00 0.00 C ATOM 502 CE LYS A 108 -17.161 -0.600 -2.726 1.00 0.00 C ATOM 503 NZ LYS A 108 -17.274 -1.524 -3.889 1.00 0.00 N ATOM 0 H LYS A 108 -13.455 -2.987 -1.596 1.00 0.00 H new ATOM 0 HA LYS A 108 -12.815 -0.402 -0.620 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -14.955 -2.066 0.649 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -15.004 -0.394 0.127 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -14.856 -1.397 -2.294 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -15.346 -2.895 -1.528 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -17.487 -2.201 -1.334 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -17.004 -0.691 -0.587 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -18.100 -0.061 -2.598 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -16.391 0.144 -2.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -17.504 -0.979 -4.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -16.371 -2.020 -4.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -18.026 -2.219 -3.709 1.00 0.00 H new ATOM 517 N VAL A 109 -11.250 -1.259 1.232 1.00 0.00 N ATOM 518 CA VAL A 109 -10.530 -1.464 2.483 1.00 0.00 C ATOM 519 C VAL A 109 -11.390 -1.078 3.681 1.00 0.00 C ATOM 520 O VAL A 109 -12.505 -0.579 3.522 1.00 0.00 O ATOM 521 CB VAL A 109 -9.221 -0.652 2.519 1.00 0.00 C ATOM 522 CG1 VAL A 109 -8.334 -1.014 1.339 1.00 0.00 C ATOM 523 CG2 VAL A 109 -9.519 0.839 2.534 1.00 0.00 C ATOM 0 H VAL A 109 -10.710 -0.788 0.506 1.00 0.00 H new ATOM 0 HA VAL A 109 -10.290 -2.526 2.539 1.00 0.00 H new ATOM 0 HB VAL A 109 -8.685 -0.902 3.435 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -7.415 -0.430 1.382 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -8.092 -2.076 1.378 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -8.859 -0.796 0.409 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -8.583 1.397 2.559 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -10.077 1.108 1.637 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -10.111 1.083 3.416 1.00 0.00 H new ATOM 533 N ASN A 110 -10.866 -1.311 4.880 1.00 0.00 N ATOM 534 CA ASN A 110 -11.580 -0.990 6.102 1.00 0.00 C ATOM 535 C ASN A 110 -10.639 -1.013 7.298 1.00 0.00 C ATOM 536 O ASN A 110 -9.828 -1.927 7.450 1.00 0.00 O ATOM 537 CB ASN A 110 -12.728 -1.973 6.320 1.00 0.00 C ATOM 538 CG ASN A 110 -12.279 -3.258 6.988 1.00 0.00 C ATOM 539 OD1 ASN A 110 -11.707 -4.139 6.344 1.00 0.00 O ATOM 540 ND2 ASN A 110 -12.535 -3.372 8.286 1.00 0.00 N ATOM 0 H ASN A 110 -9.945 -1.723 5.027 1.00 0.00 H new ATOM 0 HA ASN A 110 -11.989 0.015 6.003 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -13.495 -1.499 6.932 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -13.187 -2.209 5.360 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -12.255 -4.214 8.789 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -13.011 -2.617 8.780 1.00 0.00 H new ATOM 547 N VAL A 111 -10.757 -0.001 8.140 1.00 0.00 N ATOM 548 CA VAL A 111 -9.923 0.110 9.332 1.00 0.00 C ATOM 549 C VAL A 111 -9.624 -1.264 9.922 1.00 0.00 C ATOM 550 O VAL A 111 -10.505 -2.119 10.007 1.00 0.00 O ATOM 551 CB VAL A 111 -10.595 0.983 10.407 1.00 0.00 C ATOM 552 CG1 VAL A 111 -9.628 1.265 11.547 1.00 0.00 C ATOM 553 CG2 VAL A 111 -11.108 2.280 9.799 1.00 0.00 C ATOM 0 H VAL A 111 -11.425 0.761 8.022 1.00 0.00 H new ATOM 0 HA VAL A 111 -8.990 0.581 9.024 1.00 0.00 H new ATOM 0 HB VAL A 111 -11.447 0.437 10.811 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -10.121 1.883 12.297 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -9.316 0.324 12.000 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -8.754 1.790 11.161 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -11.580 2.884 10.574 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -10.275 2.833 9.365 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -11.837 2.054 9.021 1.00 0.00 H new ATOM 563 N GLY A 112 -8.375 -1.470 10.325 1.00 0.00 N ATOM 564 CA GLY A 112 -7.982 -2.743 10.900 1.00 0.00 C ATOM 565 C GLY A 112 -7.693 -3.791 9.842 1.00 0.00 C ATOM 566 O GLY A 112 -7.641 -4.985 10.140 1.00 0.00 O ATOM 0 H GLY A 112 -7.628 -0.778 10.264 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -7.096 -2.601 11.518 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -8.775 -3.102 11.556 1.00 0.00 H new ATOM 570 N ASP A 113 -7.507 -3.345 8.604 1.00 0.00 N ATOM 571 CA ASP A 113 -7.223 -4.252 7.499 1.00 0.00 C ATOM 572 C ASP A 113 -5.906 -3.889 6.820 1.00 0.00 C ATOM 573 O ASP A 113 -5.842 -2.946 6.032 1.00 0.00 O ATOM 574 CB ASP A 113 -8.363 -4.218 6.479 1.00 0.00 C ATOM 575 CG ASP A 113 -8.535 -5.540 5.758 1.00 0.00 C ATOM 576 OD1 ASP A 113 -8.082 -6.572 6.297 1.00 0.00 O ATOM 577 OD2 ASP A 113 -9.121 -5.544 4.656 1.00 0.00 O ATOM 0 H ASP A 113 -7.548 -2.360 8.341 1.00 0.00 H new ATOM 0 HA ASP A 113 -7.135 -5.261 7.903 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -9.293 -3.961 6.986 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -8.170 -3.432 5.749 1.00 0.00 H new ATOM 582 N THR A 114 -4.858 -4.643 7.134 1.00 0.00 N ATOM 583 CA THR A 114 -3.539 -4.404 6.557 1.00 0.00 C ATOM 584 C THR A 114 -3.655 -3.932 5.111 1.00 0.00 C ATOM 585 O THR A 114 -4.003 -4.707 4.221 1.00 0.00 O ATOM 586 CB THR A 114 -2.693 -5.675 6.625 1.00 0.00 C ATOM 587 OG1 THR A 114 -2.976 -6.404 7.806 1.00 0.00 O ATOM 588 CG2 THR A 114 -1.204 -5.406 6.599 1.00 0.00 C ATOM 0 H THR A 114 -4.896 -5.426 7.786 1.00 0.00 H new ATOM 0 HA THR A 114 -3.052 -3.620 7.137 1.00 0.00 H new ATOM 0 HB THR A 114 -2.959 -6.245 5.735 1.00 0.00 H new ATOM 0 HG1 THR A 114 -2.426 -7.215 7.830 1.00 0.00 H new ATOM 0 HG21 THR A 114 -0.663 -6.351 6.650 1.00 0.00 H new ATOM 0 HG22 THR A 114 -0.944 -4.888 5.676 1.00 0.00 H new ATOM 0 HG23 THR A 114 -0.931 -4.785 7.452 1.00 0.00 H new ATOM 596 N LEU A 115 -3.358 -2.656 4.886 1.00 0.00 N ATOM 597 CA LEU A 115 -3.427 -2.079 3.549 1.00 0.00 C ATOM 598 C LEU A 115 -2.441 -2.767 2.611 1.00 0.00 C ATOM 599 O LEU A 115 -2.839 -3.454 1.670 1.00 0.00 O ATOM 600 CB LEU A 115 -3.137 -0.578 3.600 1.00 0.00 C ATOM 601 CG LEU A 115 -4.355 0.308 3.870 1.00 0.00 C ATOM 602 CD1 LEU A 115 -3.926 1.747 4.110 1.00 0.00 C ATOM 603 CD2 LEU A 115 -5.338 0.229 2.712 1.00 0.00 C ATOM 0 H LEU A 115 -3.067 -2.002 5.613 1.00 0.00 H new ATOM 0 HA LEU A 115 -4.436 -2.232 3.166 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -2.393 -0.393 4.375 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -2.691 -0.277 2.652 1.00 0.00 H new ATOM 0 HG LEU A 115 -4.853 -0.055 4.769 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -4.806 2.362 4.300 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -3.260 1.789 4.972 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -3.404 2.123 3.230 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -6.198 0.865 2.921 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -4.851 0.567 1.797 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -5.671 -0.801 2.587 1.00 0.00 H new ATOM 615 N CYS A 116 -1.151 -2.578 2.873 1.00 0.00 N ATOM 616 CA CYS A 116 -0.108 -3.180 2.053 1.00 0.00 C ATOM 617 C CYS A 116 1.231 -3.179 2.786 1.00 0.00 C ATOM 618 O CYS A 116 1.274 -3.167 4.016 1.00 0.00 O ATOM 619 CB CYS A 116 0.022 -2.431 0.725 1.00 0.00 C ATOM 620 SG CYS A 116 1.064 -0.956 0.807 1.00 0.00 S ATOM 0 H CYS A 116 -0.804 -2.012 3.648 1.00 0.00 H new ATOM 0 HA CYS A 116 -0.390 -4.214 1.853 1.00 0.00 H new ATOM 0 HB2 CYS A 116 0.430 -3.110 -0.024 1.00 0.00 H new ATOM 0 HB3 CYS A 116 -0.972 -2.142 0.385 1.00 0.00 H new ATOM 0 HG CYS A 116 1.295 -0.520 -0.396 1.00 0.00 H new ATOM 626 N ILE A 117 2.320 -3.194 2.024 1.00 0.00 N ATOM 627 CA ILE A 117 3.657 -3.198 2.606 1.00 0.00 C ATOM 628 C ILE A 117 4.475 -2.007 2.121 1.00 0.00 C ATOM 629 O ILE A 117 4.725 -1.858 0.925 1.00 0.00 O ATOM 630 CB ILE A 117 4.421 -4.496 2.270 1.00 0.00 C ATOM 631 CG1 ILE A 117 3.456 -5.576 1.774 1.00 0.00 C ATOM 632 CG2 ILE A 117 5.191 -4.986 3.487 1.00 0.00 C ATOM 633 CD1 ILE A 117 4.084 -6.949 1.675 1.00 0.00 C ATOM 0 H ILE A 117 2.303 -3.204 1.004 1.00 0.00 H new ATOM 0 HA ILE A 117 3.524 -3.132 3.686 1.00 0.00 H new ATOM 0 HB ILE A 117 5.133 -4.282 1.473 1.00 0.00 H new ATOM 0 HG12 ILE A 117 2.601 -5.624 2.448 1.00 0.00 H new ATOM 0 HG13 ILE A 117 3.074 -5.289 0.794 1.00 0.00 H new ATOM 0 HG21 ILE A 117 5.725 -5.902 3.235 1.00 0.00 H new ATOM 0 HG22 ILE A 117 5.905 -4.223 3.797 1.00 0.00 H new ATOM 0 HG23 ILE A 117 4.495 -5.184 4.302 1.00 0.00 H new ATOM 0 HD11 ILE A 117 3.342 -7.663 1.317 1.00 0.00 H new ATOM 0 HD12 ILE A 117 4.922 -6.916 0.979 1.00 0.00 H new ATOM 0 HD13 ILE A 117 4.441 -7.258 2.658 1.00 0.00 H new ATOM 645 N VAL A 118 4.896 -1.164 3.059 1.00 0.00 N ATOM 646 CA VAL A 118 5.693 0.010 2.731 1.00 0.00 C ATOM 647 C VAL A 118 7.130 -0.161 3.208 1.00 0.00 C ATOM 648 O VAL A 118 7.632 0.636 4.002 1.00 0.00 O ATOM 649 CB VAL A 118 5.101 1.287 3.355 1.00 0.00 C ATOM 650 CG1 VAL A 118 5.595 2.521 2.616 1.00 0.00 C ATOM 651 CG2 VAL A 118 3.581 1.228 3.350 1.00 0.00 C ATOM 0 H VAL A 118 4.697 -1.274 4.053 1.00 0.00 H new ATOM 0 HA VAL A 118 5.680 0.112 1.646 1.00 0.00 H new ATOM 0 HB VAL A 118 5.436 1.353 4.390 1.00 0.00 H new ATOM 0 HG11 VAL A 118 5.166 3.414 3.071 1.00 0.00 H new ATOM 0 HG12 VAL A 118 6.682 2.570 2.676 1.00 0.00 H new ATOM 0 HG13 VAL A 118 5.291 2.465 1.571 1.00 0.00 H new ATOM 0 HG21 VAL A 118 3.180 2.139 3.795 1.00 0.00 H new ATOM 0 HG22 VAL A 118 3.224 1.137 2.324 1.00 0.00 H new ATOM 0 HG23 VAL A 118 3.248 0.365 3.927 1.00 0.00 H new ATOM 661 N GLU A 119 7.785 -1.209 2.721 1.00 0.00 N ATOM 662 CA GLU A 119 9.163 -1.498 3.096 1.00 0.00 C ATOM 663 C GLU A 119 9.957 -0.212 3.311 1.00 0.00 C ATOM 664 O GLU A 119 10.345 0.457 2.354 1.00 0.00 O ATOM 665 CB GLU A 119 9.836 -2.356 2.024 1.00 0.00 C ATOM 666 CG GLU A 119 10.265 -3.726 2.523 1.00 0.00 C ATOM 667 CD GLU A 119 11.519 -4.230 1.837 1.00 0.00 C ATOM 668 OE1 GLU A 119 11.789 -3.795 0.698 1.00 0.00 O ATOM 669 OE2 GLU A 119 12.233 -5.060 2.439 1.00 0.00 O ATOM 0 H GLU A 119 7.381 -1.875 2.063 1.00 0.00 H new ATOM 0 HA GLU A 119 9.146 -2.049 4.036 1.00 0.00 H new ATOM 0 HB2 GLU A 119 9.149 -2.482 1.187 1.00 0.00 H new ATOM 0 HB3 GLU A 119 10.710 -1.827 1.643 1.00 0.00 H new ATOM 0 HG2 GLU A 119 10.437 -3.679 3.598 1.00 0.00 H new ATOM 0 HG3 GLU A 119 9.455 -4.438 2.361 1.00 0.00 H new ATOM 676 N ALA A 120 10.194 0.125 4.575 1.00 0.00 N ATOM 677 CA ALA A 120 10.943 1.328 4.919 1.00 0.00 C ATOM 678 C ALA A 120 12.173 0.986 5.753 1.00 0.00 C ATOM 679 O ALA A 120 12.059 0.606 6.917 1.00 0.00 O ATOM 680 CB ALA A 120 10.052 2.308 5.668 1.00 0.00 C ATOM 0 H ALA A 120 9.878 -0.419 5.378 1.00 0.00 H new ATOM 0 HA ALA A 120 11.280 1.795 3.994 1.00 0.00 H new ATOM 0 HB1 ALA A 120 10.624 3.201 5.919 1.00 0.00 H new ATOM 0 HB2 ALA A 120 9.205 2.584 5.039 1.00 0.00 H new ATOM 0 HB3 ALA A 120 9.688 1.842 6.583 1.00 0.00 H new ATOM 686 N MET A 121 13.349 1.120 5.146 1.00 0.00 N ATOM 687 CA MET A 121 14.604 0.822 5.828 1.00 0.00 C ATOM 688 C MET A 121 14.942 -0.663 5.711 1.00 0.00 C ATOM 689 O MET A 121 15.758 -1.187 6.467 1.00 0.00 O ATOM 690 CB MET A 121 14.524 1.242 7.303 1.00 0.00 C ATOM 691 CG MET A 121 14.192 0.105 8.261 1.00 0.00 C ATOM 692 SD MET A 121 13.098 0.620 9.599 1.00 0.00 S ATOM 693 CE MET A 121 14.246 0.679 10.972 1.00 0.00 C ATOM 0 H MET A 121 13.459 1.434 4.182 1.00 0.00 H new ATOM 0 HA MET A 121 15.400 1.392 5.348 1.00 0.00 H new ATOM 0 HB2 MET A 121 15.478 1.682 7.596 1.00 0.00 H new ATOM 0 HB3 MET A 121 13.769 2.021 7.406 1.00 0.00 H new ATOM 0 HG2 MET A 121 13.723 -0.707 7.706 1.00 0.00 H new ATOM 0 HG3 MET A 121 15.116 -0.290 8.684 1.00 0.00 H new ATOM 0 HE1 MET A 121 13.717 0.983 11.875 1.00 0.00 H new ATOM 0 HE2 MET A 121 14.684 -0.308 11.123 1.00 0.00 H new ATOM 0 HE3 MET A 121 15.036 1.397 10.755 1.00 0.00 H new ATOM 703 N LYS A 122 14.302 -1.331 4.755 1.00 0.00 N ATOM 704 CA LYS A 122 14.524 -2.756 4.528 1.00 0.00 C ATOM 705 C LYS A 122 13.600 -3.596 5.404 1.00 0.00 C ATOM 706 O LYS A 122 13.915 -4.737 5.741 1.00 0.00 O ATOM 707 CB LYS A 122 15.983 -3.124 4.804 1.00 0.00 C ATOM 708 CG LYS A 122 16.504 -4.244 3.919 1.00 0.00 C ATOM 709 CD LYS A 122 15.776 -5.553 4.186 1.00 0.00 C ATOM 710 CE LYS A 122 16.498 -6.732 3.552 1.00 0.00 C ATOM 711 NZ LYS A 122 16.451 -6.683 2.093 1.00 0.00 N ATOM 0 H LYS A 122 13.623 -0.906 4.123 1.00 0.00 H new ATOM 0 HA LYS A 122 14.299 -2.968 3.483 1.00 0.00 H new ATOM 0 HB2 LYS A 122 16.605 -2.240 4.662 1.00 0.00 H new ATOM 0 HB3 LYS A 122 16.083 -3.420 5.848 1.00 0.00 H new ATOM 0 HG2 LYS A 122 16.384 -3.967 2.872 1.00 0.00 H new ATOM 0 HG3 LYS A 122 17.572 -4.379 4.092 1.00 0.00 H new ATOM 0 HD2 LYS A 122 15.693 -5.711 5.261 1.00 0.00 H new ATOM 0 HD3 LYS A 122 14.761 -5.493 3.793 1.00 0.00 H new ATOM 0 HE2 LYS A 122 17.537 -6.740 3.881 1.00 0.00 H new ATOM 0 HE3 LYS A 122 16.047 -7.662 3.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 16.955 -7.504 1.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 15.460 -6.701 1.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 16.904 -5.808 1.760 1.00 0.00 H new ATOM 722 N MET A 123 12.456 -3.029 5.768 1.00 0.00 N ATOM 723 CA MET A 123 11.490 -3.734 6.600 1.00 0.00 C ATOM 724 C MET A 123 10.066 -3.469 6.133 1.00 0.00 C ATOM 725 O MET A 123 9.637 -2.320 6.032 1.00 0.00 O ATOM 726 CB MET A 123 11.635 -3.326 8.063 1.00 0.00 C ATOM 727 CG MET A 123 13.066 -3.371 8.572 1.00 0.00 C ATOM 728 SD MET A 123 13.306 -4.611 9.860 1.00 0.00 S ATOM 729 CE MET A 123 12.001 -4.166 11.004 1.00 0.00 C ATOM 0 H MET A 123 12.176 -2.085 5.501 1.00 0.00 H new ATOM 0 HA MET A 123 11.695 -4.801 6.507 1.00 0.00 H new ATOM 0 HB2 MET A 123 11.246 -2.316 8.189 1.00 0.00 H new ATOM 0 HB3 MET A 123 11.020 -3.984 8.677 1.00 0.00 H new ATOM 0 HG2 MET A 123 13.737 -3.583 7.740 1.00 0.00 H new ATOM 0 HG3 MET A 123 13.340 -2.390 8.961 1.00 0.00 H new ATOM 0 HE1 MET A 123 12.344 -4.325 12.026 1.00 0.00 H new ATOM 0 HE2 MET A 123 11.740 -3.117 10.868 1.00 0.00 H new ATOM 0 HE3 MET A 123 11.124 -4.786 10.815 1.00 0.00 H new ATOM 739 N MET A 124 9.340 -4.543 5.857 1.00 0.00 N ATOM 740 CA MET A 124 7.957 -4.441 5.404 1.00 0.00 C ATOM 741 C MET A 124 7.119 -3.637 6.393 1.00 0.00 C ATOM 742 O MET A 124 6.730 -4.142 7.446 1.00 0.00 O ATOM 743 CB MET A 124 7.352 -5.834 5.221 1.00 0.00 C ATOM 744 CG MET A 124 7.929 -6.879 6.162 1.00 0.00 C ATOM 745 SD MET A 124 6.685 -8.042 6.754 1.00 0.00 S ATOM 746 CE MET A 124 7.658 -9.032 7.887 1.00 0.00 C ATOM 0 H MET A 124 9.686 -5.499 5.939 1.00 0.00 H new ATOM 0 HA MET A 124 7.953 -3.923 4.445 1.00 0.00 H new ATOM 0 HB2 MET A 124 6.274 -5.775 5.374 1.00 0.00 H new ATOM 0 HB3 MET A 124 7.511 -6.157 4.192 1.00 0.00 H new ATOM 0 HG2 MET A 124 8.719 -7.428 5.649 1.00 0.00 H new ATOM 0 HG3 MET A 124 8.389 -6.380 7.015 1.00 0.00 H new ATOM 0 HE1 MET A 124 7.026 -9.799 8.335 1.00 0.00 H new ATOM 0 HE2 MET A 124 8.476 -9.507 7.345 1.00 0.00 H new ATOM 0 HE3 MET A 124 8.065 -8.393 8.671 1.00 0.00 H new ATOM 756 N ASN A 125 6.841 -2.385 6.045 1.00 0.00 N ATOM 757 CA ASN A 125 6.047 -1.512 6.902 1.00 0.00 C ATOM 758 C ASN A 125 4.556 -1.726 6.661 1.00 0.00 C ATOM 759 O ASN A 125 3.859 -0.830 6.185 1.00 0.00 O ATOM 760 CB ASN A 125 6.411 -0.048 6.652 1.00 0.00 C ATOM 761 CG ASN A 125 6.435 0.767 7.931 1.00 0.00 C ATOM 762 OD1 ASN A 125 6.849 0.281 8.982 1.00 0.00 O ATOM 763 ND2 ASN A 125 5.988 2.015 7.846 1.00 0.00 N ATOM 0 H ASN A 125 7.154 -1.952 5.176 1.00 0.00 H new ATOM 0 HA ASN A 125 6.269 -1.761 7.939 1.00 0.00 H new ATOM 0 HB2 ASN A 125 7.389 0.004 6.173 1.00 0.00 H new ATOM 0 HB3 ASN A 125 5.692 0.389 5.959 1.00 0.00 H new ATOM 0 HD21 ASN A 125 5.979 2.611 8.674 1.00 0.00 H new ATOM 0 HD22 ASN A 125 5.654 2.377 6.953 1.00 0.00 H new ATOM 770 N GLN A 126 4.075 -2.919 6.990 1.00 0.00 N ATOM 771 CA GLN A 126 2.667 -3.253 6.809 1.00 0.00 C ATOM 772 C GLN A 126 1.770 -2.129 7.317 1.00 0.00 C ATOM 773 O GLN A 126 1.795 -1.784 8.497 1.00 0.00 O ATOM 774 CB GLN A 126 2.332 -4.555 7.538 1.00 0.00 C ATOM 775 CG GLN A 126 2.377 -4.434 9.052 1.00 0.00 C ATOM 776 CD GLN A 126 2.802 -5.724 9.727 1.00 0.00 C ATOM 777 OE1 GLN A 126 2.345 -6.807 9.364 1.00 0.00 O ATOM 778 NE2 GLN A 126 3.681 -5.613 10.716 1.00 0.00 N ATOM 0 H GLN A 126 4.639 -3.672 7.384 1.00 0.00 H new ATOM 0 HA GLN A 126 2.486 -3.384 5.742 1.00 0.00 H new ATOM 0 HB2 GLN A 126 1.337 -4.884 7.238 1.00 0.00 H new ATOM 0 HB3 GLN A 126 3.032 -5.329 7.223 1.00 0.00 H new ATOM 0 HG2 GLN A 126 3.069 -3.638 9.329 1.00 0.00 H new ATOM 0 HG3 GLN A 126 1.393 -4.143 9.419 1.00 0.00 H new ATOM 0 HE21 GLN A 126 4.034 -4.694 10.984 1.00 0.00 H new ATOM 0 HE22 GLN A 126 4.003 -6.446 11.208 1.00 0.00 H new ATOM 787 N ILE A 127 0.975 -1.562 6.414 1.00 0.00 N ATOM 788 CA ILE A 127 0.067 -0.477 6.768 1.00 0.00 C ATOM 789 C ILE A 127 -1.322 -1.013 7.101 1.00 0.00 C ATOM 790 O ILE A 127 -1.733 -2.055 6.592 1.00 0.00 O ATOM 791 CB ILE A 127 -0.050 0.551 5.627 1.00 0.00 C ATOM 792 CG1 ILE A 127 1.339 0.969 5.144 1.00 0.00 C ATOM 793 CG2 ILE A 127 -0.846 1.764 6.086 1.00 0.00 C ATOM 794 CD1 ILE A 127 1.949 2.092 5.955 1.00 0.00 C ATOM 0 H ILE A 127 0.942 -1.836 5.432 1.00 0.00 H new ATOM 0 HA ILE A 127 0.485 0.014 7.647 1.00 0.00 H new ATOM 0 HB ILE A 127 -0.579 0.089 4.794 1.00 0.00 H new ATOM 0 HG12 ILE A 127 2.002 0.105 5.179 1.00 0.00 H new ATOM 0 HG13 ILE A 127 1.274 1.279 4.101 1.00 0.00 H new ATOM 0 HG21 ILE A 127 -0.920 2.481 5.269 1.00 0.00 H new ATOM 0 HG22 ILE A 127 -1.846 1.451 6.385 1.00 0.00 H new ATOM 0 HG23 ILE A 127 -0.343 2.230 6.933 1.00 0.00 H new ATOM 0 HD11 ILE A 127 2.933 2.336 5.556 1.00 0.00 H new ATOM 0 HD12 ILE A 127 1.307 2.971 5.900 1.00 0.00 H new ATOM 0 HD13 ILE A 127 2.046 1.779 6.994 1.00 0.00 H new ATOM 806 N GLU A 128 -2.040 -0.294 7.957 1.00 0.00 N ATOM 807 CA GLU A 128 -3.382 -0.700 8.357 1.00 0.00 C ATOM 808 C GLU A 128 -4.382 0.431 8.136 1.00 0.00 C ATOM 809 O GLU A 128 -4.151 1.567 8.548 1.00 0.00 O ATOM 810 CB GLU A 128 -3.394 -1.124 9.826 1.00 0.00 C ATOM 811 CG GLU A 128 -2.937 -0.031 10.779 1.00 0.00 C ATOM 812 CD GLU A 128 -3.335 -0.306 12.215 1.00 0.00 C ATOM 813 OE1 GLU A 128 -3.038 -1.413 12.713 1.00 0.00 O ATOM 814 OE2 GLU A 128 -3.946 0.584 12.843 1.00 0.00 O ATOM 0 H GLU A 128 -1.715 0.572 8.387 1.00 0.00 H new ATOM 0 HA GLU A 128 -3.676 -1.548 7.738 1.00 0.00 H new ATOM 0 HB2 GLU A 128 -4.403 -1.433 10.098 1.00 0.00 H new ATOM 0 HB3 GLU A 128 -2.750 -1.995 9.949 1.00 0.00 H new ATOM 0 HG2 GLU A 128 -1.853 0.068 10.719 1.00 0.00 H new ATOM 0 HG3 GLU A 128 -3.362 0.922 10.464 1.00 0.00 H new ATOM 821 N ALA A 129 -5.493 0.111 7.481 1.00 0.00 N ATOM 822 CA ALA A 129 -6.529 1.098 7.205 1.00 0.00 C ATOM 823 C ALA A 129 -6.776 1.988 8.417 1.00 0.00 C ATOM 824 O ALA A 129 -6.895 1.502 9.543 1.00 0.00 O ATOM 825 CB ALA A 129 -7.817 0.407 6.784 1.00 0.00 C ATOM 0 H ALA A 129 -5.699 -0.825 7.131 1.00 0.00 H new ATOM 0 HA ALA A 129 -6.185 1.731 6.387 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -8.582 1.156 6.581 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -7.637 -0.181 5.884 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -8.156 -0.250 7.585 1.00 0.00 H new ATOM 831 N ASP A 130 -6.855 3.293 8.181 1.00 0.00 N ATOM 832 CA ASP A 130 -7.089 4.252 9.256 1.00 0.00 C ATOM 833 C ASP A 130 -8.394 5.015 9.037 1.00 0.00 C ATOM 834 O ASP A 130 -8.766 5.868 9.841 1.00 0.00 O ATOM 835 CB ASP A 130 -5.921 5.236 9.353 1.00 0.00 C ATOM 836 CG ASP A 130 -6.101 6.237 10.479 1.00 0.00 C ATOM 837 OD1 ASP A 130 -6.894 7.186 10.307 1.00 0.00 O ATOM 838 OD2 ASP A 130 -5.448 6.071 11.530 1.00 0.00 O ATOM 0 H ASP A 130 -6.761 3.711 7.256 1.00 0.00 H new ATOM 0 HA ASP A 130 -7.168 3.696 10.190 1.00 0.00 H new ATOM 0 HB2 ASP A 130 -4.995 4.682 9.507 1.00 0.00 H new ATOM 0 HB3 ASP A 130 -5.820 5.770 8.408 1.00 0.00 H new ATOM 843 N LYS A 131 -9.083 4.703 7.943 1.00 0.00 N ATOM 844 CA LYS A 131 -10.344 5.362 7.622 1.00 0.00 C ATOM 845 C LYS A 131 -11.038 4.671 6.453 1.00 0.00 C ATOM 846 O LYS A 131 -11.764 5.303 5.688 1.00 0.00 O ATOM 847 CB LYS A 131 -10.102 6.834 7.283 1.00 0.00 C ATOM 848 CG LYS A 131 -9.512 7.051 5.898 1.00 0.00 C ATOM 849 CD LYS A 131 -10.221 8.172 5.156 1.00 0.00 C ATOM 850 CE LYS A 131 -11.686 7.843 4.910 1.00 0.00 C ATOM 851 NZ LYS A 131 -12.424 8.998 4.328 1.00 0.00 N ATOM 0 H LYS A 131 -8.790 3.999 7.265 1.00 0.00 H new ATOM 0 HA LYS A 131 -10.991 5.297 8.497 1.00 0.00 H new ATOM 0 HB2 LYS A 131 -11.046 7.375 7.356 1.00 0.00 H new ATOM 0 HB3 LYS A 131 -9.430 7.264 8.026 1.00 0.00 H new ATOM 0 HG2 LYS A 131 -8.451 7.287 5.987 1.00 0.00 H new ATOM 0 HG3 LYS A 131 -9.586 6.129 5.322 1.00 0.00 H new ATOM 0 HD2 LYS A 131 -10.147 9.094 5.732 1.00 0.00 H new ATOM 0 HD3 LYS A 131 -9.723 8.350 4.203 1.00 0.00 H new ATOM 0 HE2 LYS A 131 -11.758 6.989 4.236 1.00 0.00 H new ATOM 0 HE3 LYS A 131 -12.155 7.549 5.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 -13.418 8.733 4.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 -12.377 9.805 4.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 -11.993 9.263 3.419 1.00 0.00 H new ATOM 865 N SER A 132 -10.806 3.369 6.322 1.00 0.00 N ATOM 866 CA SER A 132 -11.408 2.596 5.242 1.00 0.00 C ATOM 867 C SER A 132 -11.244 3.314 3.908 1.00 0.00 C ATOM 868 O SER A 132 -10.660 4.395 3.842 1.00 0.00 O ATOM 869 CB SER A 132 -12.891 2.352 5.525 1.00 0.00 C ATOM 870 OG SER A 132 -13.706 3.224 4.761 1.00 0.00 O ATOM 0 H SER A 132 -10.208 2.829 6.947 1.00 0.00 H new ATOM 0 HA SER A 132 -10.896 1.636 5.185 1.00 0.00 H new ATOM 0 HB2 SER A 132 -13.143 1.317 5.293 1.00 0.00 H new ATOM 0 HB3 SER A 132 -13.091 2.499 6.586 1.00 0.00 H new ATOM 0 HG SER A 132 -14.649 3.047 4.959 1.00 0.00 H new ATOM 876 N GLY A 133 -11.764 2.708 2.845 1.00 0.00 N ATOM 877 CA GLY A 133 -11.663 3.310 1.529 1.00 0.00 C ATOM 878 C GLY A 133 -11.666 2.282 0.416 1.00 0.00 C ATOM 879 O GLY A 133 -11.645 1.078 0.672 1.00 0.00 O ATOM 0 H GLY A 133 -12.252 1.813 2.872 1.00 0.00 H new ATOM 0 HA2 GLY A 133 -12.495 3.999 1.384 1.00 0.00 H new ATOM 0 HA3 GLY A 133 -10.747 3.899 1.472 1.00 0.00 H new ATOM 883 N THR A 134 -11.697 2.758 -0.823 1.00 0.00 N ATOM 884 CA THR A 134 -11.708 1.876 -1.983 1.00 0.00 C ATOM 885 C THR A 134 -10.510 2.140 -2.889 1.00 0.00 C ATOM 886 O THR A 134 -10.435 3.182 -3.539 1.00 0.00 O ATOM 887 CB THR A 134 -12.998 2.070 -2.778 1.00 0.00 C ATOM 888 OG1 THR A 134 -14.131 1.954 -1.936 1.00 0.00 O ATOM 889 CG2 THR A 134 -13.161 1.078 -3.909 1.00 0.00 C ATOM 0 H THR A 134 -11.715 3.752 -1.050 1.00 0.00 H new ATOM 0 HA THR A 134 -11.650 0.849 -1.622 1.00 0.00 H new ATOM 0 HB THR A 134 -12.925 3.071 -3.203 1.00 0.00 H new ATOM 0 HG1 THR A 134 -14.946 2.083 -2.465 1.00 0.00 H new ATOM 0 HG21 THR A 134 -14.098 1.273 -4.432 1.00 0.00 H new ATOM 0 HG22 THR A 134 -12.329 1.180 -4.605 1.00 0.00 H new ATOM 0 HG23 THR A 134 -13.174 0.065 -3.506 1.00 0.00 H new ATOM 897 N VAL A 135 -9.580 1.191 -2.939 1.00 0.00 N ATOM 898 CA VAL A 135 -8.401 1.336 -3.781 1.00 0.00 C ATOM 899 C VAL A 135 -8.806 1.737 -5.194 1.00 0.00 C ATOM 900 O VAL A 135 -9.859 1.328 -5.683 1.00 0.00 O ATOM 901 CB VAL A 135 -7.582 0.034 -3.842 1.00 0.00 C ATOM 902 CG1 VAL A 135 -6.342 0.226 -4.701 1.00 0.00 C ATOM 903 CG2 VAL A 135 -7.203 -0.424 -2.443 1.00 0.00 C ATOM 0 H VAL A 135 -9.620 0.320 -2.410 1.00 0.00 H new ATOM 0 HA VAL A 135 -7.781 2.115 -3.337 1.00 0.00 H new ATOM 0 HB VAL A 135 -8.198 -0.741 -4.299 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -5.774 -0.704 -4.734 1.00 0.00 H new ATOM 0 HG12 VAL A 135 -6.639 0.505 -5.712 1.00 0.00 H new ATOM 0 HG13 VAL A 135 -5.722 1.015 -4.274 1.00 0.00 H new ATOM 0 HG21 VAL A 135 -6.625 -1.346 -2.506 1.00 0.00 H new ATOM 0 HG22 VAL A 135 -6.605 0.347 -1.957 1.00 0.00 H new ATOM 0 HG23 VAL A 135 -8.107 -0.602 -1.861 1.00 0.00 H new ATOM 913 N LYS A 136 -7.980 2.548 -5.844 1.00 0.00 N ATOM 914 CA LYS A 136 -8.280 3.000 -7.192 1.00 0.00 C ATOM 915 C LYS A 136 -7.141 2.692 -8.154 1.00 0.00 C ATOM 916 O LYS A 136 -7.330 2.693 -9.369 1.00 0.00 O ATOM 917 CB LYS A 136 -8.569 4.498 -7.178 1.00 0.00 C ATOM 918 CG LYS A 136 -9.820 4.855 -6.399 1.00 0.00 C ATOM 919 CD LYS A 136 -11.075 4.380 -7.117 1.00 0.00 C ATOM 920 CE LYS A 136 -12.320 4.606 -6.275 1.00 0.00 C ATOM 921 NZ LYS A 136 -13.402 3.642 -6.614 1.00 0.00 N ATOM 0 H LYS A 136 -7.104 2.903 -5.461 1.00 0.00 H new ATOM 0 HA LYS A 136 -9.160 2.461 -7.543 1.00 0.00 H new ATOM 0 HB2 LYS A 136 -7.717 5.022 -6.746 1.00 0.00 H new ATOM 0 HB3 LYS A 136 -8.674 4.851 -8.204 1.00 0.00 H new ATOM 0 HG2 LYS A 136 -9.774 4.405 -5.407 1.00 0.00 H new ATOM 0 HG3 LYS A 136 -9.867 5.935 -6.257 1.00 0.00 H new ATOM 0 HD2 LYS A 136 -11.175 4.909 -8.065 1.00 0.00 H new ATOM 0 HD3 LYS A 136 -10.981 3.320 -7.352 1.00 0.00 H new ATOM 0 HE2 LYS A 136 -12.066 4.511 -5.219 1.00 0.00 H new ATOM 0 HE3 LYS A 136 -12.680 5.624 -6.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 -14.233 3.830 -6.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 -13.662 3.750 -7.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 -13.068 2.672 -6.446 1.00 0.00 H new ATOM 935 N ALA A 137 -5.957 2.429 -7.612 1.00 0.00 N ATOM 936 CA ALA A 137 -4.807 2.123 -8.449 1.00 0.00 C ATOM 937 C ALA A 137 -3.498 2.224 -7.674 1.00 0.00 C ATOM 938 O ALA A 137 -3.396 2.968 -6.699 1.00 0.00 O ATOM 939 CB ALA A 137 -4.782 3.061 -9.641 1.00 0.00 C ATOM 0 H ALA A 137 -5.771 2.422 -6.609 1.00 0.00 H new ATOM 0 HA ALA A 137 -4.904 1.093 -8.792 1.00 0.00 H new ATOM 0 HB1 ALA A 137 -3.920 2.831 -10.267 1.00 0.00 H new ATOM 0 HB2 ALA A 137 -5.696 2.936 -10.222 1.00 0.00 H new ATOM 0 HB3 ALA A 137 -4.712 4.091 -9.292 1.00 0.00 H new ATOM 945 N ILE A 138 -2.497 1.476 -8.126 1.00 0.00 N ATOM 946 CA ILE A 138 -1.189 1.482 -7.490 1.00 0.00 C ATOM 947 C ILE A 138 -0.255 2.452 -8.204 1.00 0.00 C ATOM 948 O ILE A 138 0.600 2.042 -8.989 1.00 0.00 O ATOM 949 CB ILE A 138 -0.550 0.076 -7.483 1.00 0.00 C ATOM 950 CG1 ILE A 138 -1.552 -0.981 -7.958 1.00 0.00 C ATOM 951 CG2 ILE A 138 -0.040 -0.264 -6.094 1.00 0.00 C ATOM 952 CD1 ILE A 138 -2.825 -1.017 -7.140 1.00 0.00 C ATOM 0 H ILE A 138 -2.569 0.857 -8.933 1.00 0.00 H new ATOM 0 HA ILE A 138 -1.335 1.801 -6.458 1.00 0.00 H new ATOM 0 HB ILE A 138 0.293 0.080 -8.174 1.00 0.00 H new ATOM 0 HG12 ILE A 138 -1.805 -0.788 -9.001 1.00 0.00 H new ATOM 0 HG13 ILE A 138 -1.078 -1.962 -7.921 1.00 0.00 H new ATOM 0 HG21 ILE A 138 0.408 -1.258 -6.104 1.00 0.00 H new ATOM 0 HG22 ILE A 138 0.709 0.468 -5.792 1.00 0.00 H new ATOM 0 HG23 ILE A 138 -0.870 -0.247 -5.387 1.00 0.00 H new ATOM 0 HD11 ILE A 138 -3.488 -1.788 -7.532 1.00 0.00 H new ATOM 0 HD12 ILE A 138 -2.584 -1.240 -6.101 1.00 0.00 H new ATOM 0 HD13 ILE A 138 -3.322 -0.048 -7.197 1.00 0.00 H new ATOM 964 N LEU A 139 -0.427 3.743 -7.930 1.00 0.00 N ATOM 965 CA LEU A 139 0.400 4.771 -8.552 1.00 0.00 C ATOM 966 C LEU A 139 1.836 4.289 -8.671 1.00 0.00 C ATOM 967 O LEU A 139 2.558 4.663 -9.595 1.00 0.00 O ATOM 968 CB LEU A 139 0.346 6.065 -7.738 1.00 0.00 C ATOM 969 CG LEU A 139 -0.715 7.068 -8.191 1.00 0.00 C ATOM 970 CD1 LEU A 139 -1.118 7.979 -7.041 1.00 0.00 C ATOM 971 CD2 LEU A 139 -0.203 7.886 -9.368 1.00 0.00 C ATOM 0 H LEU A 139 -1.130 4.100 -7.283 1.00 0.00 H new ATOM 0 HA LEU A 139 0.011 4.971 -9.550 1.00 0.00 H new ATOM 0 HB2 LEU A 139 0.163 5.812 -6.694 1.00 0.00 H new ATOM 0 HB3 LEU A 139 1.323 6.546 -7.784 1.00 0.00 H new ATOM 0 HG LEU A 139 -1.597 6.515 -8.512 1.00 0.00 H new ATOM 0 HD11 LEU A 139 -1.874 8.685 -7.384 1.00 0.00 H new ATOM 0 HD12 LEU A 139 -1.525 7.379 -6.227 1.00 0.00 H new ATOM 0 HD13 LEU A 139 -0.244 8.526 -6.687 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -0.970 8.596 -9.679 1.00 0.00 H new ATOM 0 HD22 LEU A 139 0.694 8.429 -9.071 1.00 0.00 H new ATOM 0 HD23 LEU A 139 0.034 7.220 -10.198 1.00 0.00 H new ATOM 983 N VAL A 140 2.238 3.452 -7.727 1.00 0.00 N ATOM 984 CA VAL A 140 3.582 2.901 -7.710 1.00 0.00 C ATOM 985 C VAL A 140 3.583 1.462 -8.206 1.00 0.00 C ATOM 986 O VAL A 140 2.703 0.675 -7.859 1.00 0.00 O ATOM 987 CB VAL A 140 4.174 2.939 -6.293 1.00 0.00 C ATOM 988 CG1 VAL A 140 5.467 2.140 -6.228 1.00 0.00 C ATOM 989 CG2 VAL A 140 4.401 4.376 -5.848 1.00 0.00 C ATOM 0 H VAL A 140 1.647 3.138 -6.958 1.00 0.00 H new ATOM 0 HA VAL A 140 4.193 3.514 -8.373 1.00 0.00 H new ATOM 0 HB VAL A 140 3.460 2.480 -5.610 1.00 0.00 H new ATOM 0 HG11 VAL A 140 5.869 2.180 -5.216 1.00 0.00 H new ATOM 0 HG12 VAL A 140 5.268 1.103 -6.498 1.00 0.00 H new ATOM 0 HG13 VAL A 140 6.192 2.563 -6.923 1.00 0.00 H new ATOM 0 HG21 VAL A 140 4.821 4.383 -4.842 1.00 0.00 H new ATOM 0 HG22 VAL A 140 5.094 4.864 -6.534 1.00 0.00 H new ATOM 0 HG23 VAL A 140 3.452 4.911 -5.849 1.00 0.00 H new ATOM 999 N GLU A 141 4.576 1.123 -9.015 1.00 0.00 N ATOM 1000 CA GLU A 141 4.690 -0.225 -9.553 1.00 0.00 C ATOM 1001 C GLU A 141 5.040 -1.210 -8.446 1.00 0.00 C ATOM 1002 O GLU A 141 6.170 -1.232 -7.959 1.00 0.00 O ATOM 1003 CB GLU A 141 5.750 -0.273 -10.653 1.00 0.00 C ATOM 1004 CG GLU A 141 5.208 0.079 -12.028 1.00 0.00 C ATOM 1005 CD GLU A 141 6.123 1.013 -12.796 1.00 0.00 C ATOM 1006 OE1 GLU A 141 6.901 1.746 -12.149 1.00 0.00 O ATOM 1007 OE2 GLU A 141 6.061 1.013 -14.043 1.00 0.00 O ATOM 0 H GLU A 141 5.313 1.762 -9.313 1.00 0.00 H new ATOM 0 HA GLU A 141 3.728 -0.507 -9.982 1.00 0.00 H new ATOM 0 HB2 GLU A 141 6.556 0.416 -10.401 1.00 0.00 H new ATOM 0 HB3 GLU A 141 6.184 -1.272 -10.686 1.00 0.00 H new ATOM 0 HG2 GLU A 141 5.064 -0.836 -12.603 1.00 0.00 H new ATOM 0 HG3 GLU A 141 4.228 0.544 -11.920 1.00 0.00 H new ATOM 1014 N SER A 142 4.062 -2.015 -8.047 1.00 0.00 N ATOM 1015 CA SER A 142 4.269 -2.993 -6.990 1.00 0.00 C ATOM 1016 C SER A 142 5.672 -3.584 -7.070 1.00 0.00 C ATOM 1017 O SER A 142 6.265 -3.650 -8.147 1.00 0.00 O ATOM 1018 CB SER A 142 3.233 -4.111 -7.079 1.00 0.00 C ATOM 1019 OG SER A 142 3.063 -4.548 -8.416 1.00 0.00 O ATOM 0 H SER A 142 3.121 -2.009 -8.440 1.00 0.00 H new ATOM 0 HA SER A 142 4.155 -2.482 -6.034 1.00 0.00 H new ATOM 0 HB2 SER A 142 3.545 -4.950 -6.457 1.00 0.00 H new ATOM 0 HB3 SER A 142 2.280 -3.759 -6.685 1.00 0.00 H new ATOM 0 HG SER A 142 2.396 -5.265 -8.443 1.00 0.00 H new ATOM 1025 N GLY A 143 6.200 -4.012 -5.929 1.00 0.00 N ATOM 1026 CA GLY A 143 7.532 -4.587 -5.905 1.00 0.00 C ATOM 1027 C GLY A 143 8.578 -3.643 -6.460 1.00 0.00 C ATOM 1028 O GLY A 143 9.442 -4.050 -7.237 1.00 0.00 O ATOM 0 H GLY A 143 5.732 -3.972 -5.024 1.00 0.00 H new ATOM 0 HA2 GLY A 143 7.792 -4.851 -4.880 1.00 0.00 H new ATOM 0 HA3 GLY A 143 7.537 -5.511 -6.484 1.00 0.00 H new ATOM 1032 N GLN A 144 8.498 -2.375 -6.066 1.00 0.00 N ATOM 1033 CA GLN A 144 9.446 -1.369 -6.536 1.00 0.00 C ATOM 1034 C GLN A 144 9.703 -0.311 -5.469 1.00 0.00 C ATOM 1035 O GLN A 144 8.779 0.147 -4.798 1.00 0.00 O ATOM 1036 CB GLN A 144 8.924 -0.703 -7.809 1.00 0.00 C ATOM 1037 CG GLN A 144 8.530 -1.690 -8.895 1.00 0.00 C ATOM 1038 CD GLN A 144 9.729 -2.246 -9.637 1.00 0.00 C ATOM 1039 OE1 GLN A 144 10.671 -1.519 -9.952 1.00 0.00 O ATOM 1040 NE2 GLN A 144 9.700 -3.544 -9.919 1.00 0.00 N ATOM 0 H GLN A 144 7.789 -2.020 -5.424 1.00 0.00 H new ATOM 0 HA GLN A 144 10.388 -1.874 -6.752 1.00 0.00 H new ATOM 0 HB2 GLN A 144 8.060 -0.087 -7.559 1.00 0.00 H new ATOM 0 HB3 GLN A 144 9.690 -0.033 -8.199 1.00 0.00 H new ATOM 0 HG2 GLN A 144 7.970 -2.512 -8.449 1.00 0.00 H new ATOM 0 HG3 GLN A 144 7.864 -1.198 -9.604 1.00 0.00 H new ATOM 0 HE21 GLN A 144 8.898 -4.109 -9.639 1.00 0.00 H new ATOM 0 HE22 GLN A 144 10.479 -3.975 -10.416 1.00 0.00 H new ATOM 1049 N PRO A 145 10.972 0.090 -5.305 1.00 0.00 N ATOM 1050 CA PRO A 145 11.361 1.103 -4.320 1.00 0.00 C ATOM 1051 C PRO A 145 10.884 2.498 -4.707 1.00 0.00 C ATOM 1052 O PRO A 145 10.649 2.781 -5.882 1.00 0.00 O ATOM 1053 CB PRO A 145 12.889 1.037 -4.329 1.00 0.00 C ATOM 1054 CG PRO A 145 13.236 0.528 -5.686 1.00 0.00 C ATOM 1055 CD PRO A 145 12.125 -0.410 -6.074 1.00 0.00 C ATOM 0 HA PRO A 145 10.919 0.913 -3.342 1.00 0.00 H new ATOM 0 HB2 PRO A 145 13.329 2.018 -4.149 1.00 0.00 H new ATOM 0 HB3 PRO A 145 13.262 0.373 -3.549 1.00 0.00 H new ATOM 0 HG2 PRO A 145 13.322 1.347 -6.400 1.00 0.00 H new ATOM 0 HG3 PRO A 145 14.196 0.012 -5.675 1.00 0.00 H new ATOM 0 HD2 PRO A 145 11.934 -0.385 -7.147 1.00 0.00 H new ATOM 0 HD3 PRO A 145 12.362 -1.442 -5.817 1.00 0.00 H new ATOM 1063 N VAL A 146 10.741 3.368 -3.713 1.00 0.00 N ATOM 1064 CA VAL A 146 10.290 4.732 -3.952 1.00 0.00 C ATOM 1065 C VAL A 146 10.828 5.685 -2.890 1.00 0.00 C ATOM 1066 O VAL A 146 11.848 5.411 -2.256 1.00 0.00 O ATOM 1067 CB VAL A 146 8.753 4.818 -3.971 1.00 0.00 C ATOM 1068 CG1 VAL A 146 8.168 3.720 -4.846 1.00 0.00 C ATOM 1069 CG2 VAL A 146 8.196 4.738 -2.557 1.00 0.00 C ATOM 0 H VAL A 146 10.931 3.152 -2.734 1.00 0.00 H new ATOM 0 HA VAL A 146 10.676 5.026 -4.928 1.00 0.00 H new ATOM 0 HB VAL A 146 8.466 5.780 -4.395 1.00 0.00 H new ATOM 0 HG11 VAL A 146 7.081 3.796 -4.847 1.00 0.00 H new ATOM 0 HG12 VAL A 146 8.541 3.829 -5.864 1.00 0.00 H new ATOM 0 HG13 VAL A 146 8.463 2.747 -4.454 1.00 0.00 H new ATOM 0 HG21 VAL A 146 7.108 4.800 -2.590 1.00 0.00 H new ATOM 0 HG22 VAL A 146 8.491 3.792 -2.103 1.00 0.00 H new ATOM 0 HG23 VAL A 146 8.589 5.564 -1.964 1.00 0.00 H new ATOM 1079 N GLU A 147 10.138 6.804 -2.702 1.00 0.00 N ATOM 1080 CA GLU A 147 10.547 7.798 -1.718 1.00 0.00 C ATOM 1081 C GLU A 147 9.335 8.504 -1.120 1.00 0.00 C ATOM 1082 O GLU A 147 8.202 8.286 -1.550 1.00 0.00 O ATOM 1083 CB GLU A 147 11.485 8.824 -2.358 1.00 0.00 C ATOM 1084 CG GLU A 147 12.940 8.653 -1.954 1.00 0.00 C ATOM 1085 CD GLU A 147 13.877 8.640 -3.147 1.00 0.00 C ATOM 1086 OE1 GLU A 147 13.386 8.489 -4.285 1.00 0.00 O ATOM 1087 OE2 GLU A 147 15.100 8.782 -2.942 1.00 0.00 O ATOM 0 H GLU A 147 9.292 7.045 -3.219 1.00 0.00 H new ATOM 0 HA GLU A 147 11.076 7.282 -0.916 1.00 0.00 H new ATOM 0 HB2 GLU A 147 11.406 8.749 -3.443 1.00 0.00 H new ATOM 0 HB3 GLU A 147 11.156 9.826 -2.083 1.00 0.00 H new ATOM 0 HG2 GLU A 147 13.224 9.462 -1.282 1.00 0.00 H new ATOM 0 HG3 GLU A 147 13.052 7.722 -1.398 1.00 0.00 H new ATOM 1094 N PHE A 148 9.582 9.349 -0.126 1.00 0.00 N ATOM 1095 CA PHE A 148 8.510 10.089 0.531 1.00 0.00 C ATOM 1096 C PHE A 148 7.673 10.855 -0.490 1.00 0.00 C ATOM 1097 O PHE A 148 8.171 11.253 -1.542 1.00 0.00 O ATOM 1098 CB PHE A 148 9.090 11.058 1.562 1.00 0.00 C ATOM 1099 CG PHE A 148 8.043 11.797 2.345 1.00 0.00 C ATOM 1100 CD1 PHE A 148 7.002 11.109 2.960 1.00 0.00 C ATOM 1101 CD2 PHE A 148 8.097 13.181 2.468 1.00 0.00 C ATOM 1102 CE1 PHE A 148 6.035 11.788 3.685 1.00 0.00 C ATOM 1103 CE2 PHE A 148 7.132 13.866 3.191 1.00 0.00 C ATOM 1104 CZ PHE A 148 6.100 13.168 3.799 1.00 0.00 C ATOM 0 H PHE A 148 10.514 9.539 0.243 1.00 0.00 H new ATOM 0 HA PHE A 148 7.865 9.372 1.039 1.00 0.00 H new ATOM 0 HB2 PHE A 148 9.725 10.504 2.253 1.00 0.00 H new ATOM 0 HB3 PHE A 148 9.728 11.780 1.052 1.00 0.00 H new ATOM 0 HD1 PHE A 148 6.947 10.034 2.872 1.00 0.00 H new ATOM 0 HD2 PHE A 148 8.899 13.728 1.995 1.00 0.00 H new ATOM 0 HE1 PHE A 148 5.233 11.243 4.160 1.00 0.00 H new ATOM 0 HE2 PHE A 148 7.184 14.941 3.280 1.00 0.00 H new ATOM 0 HZ PHE A 148 5.347 13.699 4.362 1.00 0.00 H new ATOM 1114 N ASP A 149 6.398 11.056 -0.172 1.00 0.00 N ATOM 1115 CA ASP A 149 5.491 11.775 -1.061 1.00 0.00 C ATOM 1116 C ASP A 149 5.374 11.069 -2.406 1.00 0.00 C ATOM 1117 O ASP A 149 5.033 11.687 -3.415 1.00 0.00 O ATOM 1118 CB ASP A 149 5.975 13.211 -1.264 1.00 0.00 C ATOM 1119 CG ASP A 149 5.954 14.015 0.021 1.00 0.00 C ATOM 1120 OD1 ASP A 149 5.292 13.574 0.985 1.00 0.00 O ATOM 1121 OD2 ASP A 149 6.597 15.084 0.064 1.00 0.00 O ATOM 0 H ASP A 149 5.969 10.731 0.695 1.00 0.00 H new ATOM 0 HA ASP A 149 4.505 11.794 -0.596 1.00 0.00 H new ATOM 0 HB2 ASP A 149 6.989 13.197 -1.664 1.00 0.00 H new ATOM 0 HB3 ASP A 149 5.346 13.702 -2.007 1.00 0.00 H new ATOM 1126 N GLU A 150 5.657 9.772 -2.414 1.00 0.00 N ATOM 1127 CA GLU A 150 5.578 8.981 -3.634 1.00 0.00 C ATOM 1128 C GLU A 150 4.365 8.059 -3.604 1.00 0.00 C ATOM 1129 O GLU A 150 4.493 6.851 -3.413 1.00 0.00 O ATOM 1130 CB GLU A 150 6.854 8.158 -3.816 1.00 0.00 C ATOM 1131 CG GLU A 150 7.066 7.674 -5.241 1.00 0.00 C ATOM 1132 CD GLU A 150 8.520 7.734 -5.665 1.00 0.00 C ATOM 1133 OE1 GLU A 150 9.377 8.035 -4.808 1.00 0.00 O ATOM 1134 OE2 GLU A 150 8.802 7.478 -6.856 1.00 0.00 O ATOM 0 H GLU A 150 5.943 9.246 -1.588 1.00 0.00 H new ATOM 0 HA GLU A 150 5.472 9.665 -4.476 1.00 0.00 H new ATOM 0 HB2 GLU A 150 7.711 8.760 -3.514 1.00 0.00 H new ATOM 0 HB3 GLU A 150 6.819 7.296 -3.150 1.00 0.00 H new ATOM 0 HG2 GLU A 150 6.707 6.649 -5.330 1.00 0.00 H new ATOM 0 HG3 GLU A 150 6.468 8.281 -5.920 1.00 0.00 H new ATOM 1141 N PRO A 151 3.166 8.627 -3.796 1.00 0.00 N ATOM 1142 CA PRO A 151 1.919 7.870 -3.795 1.00 0.00 C ATOM 1143 C PRO A 151 2.079 6.480 -4.405 1.00 0.00 C ATOM 1144 O PRO A 151 2.591 6.334 -5.515 1.00 0.00 O ATOM 1145 CB PRO A 151 1.008 8.744 -4.650 1.00 0.00 C ATOM 1146 CG PRO A 151 1.460 10.140 -4.370 1.00 0.00 C ATOM 1147 CD PRO A 151 2.933 10.063 -4.034 1.00 0.00 C ATOM 0 HA PRO A 151 1.541 7.680 -2.791 1.00 0.00 H new ATOM 0 HB2 PRO A 151 1.103 8.501 -5.708 1.00 0.00 H new ATOM 0 HB3 PRO A 151 -0.040 8.605 -4.384 1.00 0.00 H new ATOM 0 HG2 PRO A 151 1.294 10.781 -5.236 1.00 0.00 H new ATOM 0 HG3 PRO A 151 0.897 10.570 -3.542 1.00 0.00 H new ATOM 0 HD2 PRO A 151 3.550 10.438 -4.851 1.00 0.00 H new ATOM 0 HD3 PRO A 151 3.174 10.658 -3.153 1.00 0.00 H new ATOM 1155 N LEU A 152 1.642 5.462 -3.669 1.00 0.00 N ATOM 1156 CA LEU A 152 1.741 4.082 -4.133 1.00 0.00 C ATOM 1157 C LEU A 152 0.366 3.424 -4.211 1.00 0.00 C ATOM 1158 O LEU A 152 -0.061 2.982 -5.276 1.00 0.00 O ATOM 1159 CB LEU A 152 2.649 3.272 -3.203 1.00 0.00 C ATOM 1160 CG LEU A 152 3.718 4.083 -2.468 1.00 0.00 C ATOM 1161 CD1 LEU A 152 3.617 3.861 -0.968 1.00 0.00 C ATOM 1162 CD2 LEU A 152 5.105 3.715 -2.973 1.00 0.00 C ATOM 0 H LEU A 152 1.216 5.567 -2.748 1.00 0.00 H new ATOM 0 HA LEU A 152 2.171 4.098 -5.134 1.00 0.00 H new ATOM 0 HB2 LEU A 152 2.027 2.766 -2.464 1.00 0.00 H new ATOM 0 HB3 LEU A 152 3.143 2.496 -3.788 1.00 0.00 H new ATOM 0 HG LEU A 152 3.549 5.141 -2.669 1.00 0.00 H new ATOM 0 HD11 LEU A 152 4.385 4.445 -0.461 1.00 0.00 H new ATOM 0 HD12 LEU A 152 2.633 4.175 -0.619 1.00 0.00 H new ATOM 0 HD13 LEU A 152 3.761 2.803 -0.746 1.00 0.00 H new ATOM 0 HD21 LEU A 152 5.854 4.301 -2.440 1.00 0.00 H new ATOM 0 HD22 LEU A 152 5.285 2.654 -2.801 1.00 0.00 H new ATOM 0 HD23 LEU A 152 5.172 3.926 -4.040 1.00 0.00 H new ATOM 1174 N VAL A 153 -0.316 3.356 -3.072 1.00 0.00 N ATOM 1175 CA VAL A 153 -1.637 2.747 -3.004 1.00 0.00 C ATOM 1176 C VAL A 153 -2.731 3.808 -2.941 1.00 0.00 C ATOM 1177 O VAL A 153 -2.981 4.399 -1.891 1.00 0.00 O ATOM 1178 CB VAL A 153 -1.757 1.816 -1.781 1.00 0.00 C ATOM 1179 CG1 VAL A 153 -1.108 2.453 -0.565 1.00 0.00 C ATOM 1180 CG2 VAL A 153 -3.214 1.474 -1.501 1.00 0.00 C ATOM 0 H VAL A 153 0.027 3.717 -2.182 1.00 0.00 H new ATOM 0 HA VAL A 153 -1.766 2.159 -3.913 1.00 0.00 H new ATOM 0 HB VAL A 153 -1.232 0.887 -2.004 1.00 0.00 H new ATOM 0 HG11 VAL A 153 -1.201 1.783 0.290 1.00 0.00 H new ATOM 0 HG12 VAL A 153 -0.053 2.636 -0.769 1.00 0.00 H new ATOM 0 HG13 VAL A 153 -1.603 3.398 -0.341 1.00 0.00 H new ATOM 0 HG21 VAL A 153 -3.273 0.816 -0.634 1.00 0.00 H new ATOM 0 HG22 VAL A 153 -3.771 2.390 -1.301 1.00 0.00 H new ATOM 0 HG23 VAL A 153 -3.643 0.971 -2.368 1.00 0.00 H new ATOM 1190 N VAL A 154 -3.378 4.038 -4.075 1.00 0.00 N ATOM 1191 CA VAL A 154 -4.451 5.023 -4.163 1.00 0.00 C ATOM 1192 C VAL A 154 -5.796 4.411 -3.790 1.00 0.00 C ATOM 1193 O VAL A 154 -6.127 3.305 -4.222 1.00 0.00 O ATOM 1194 CB VAL A 154 -4.557 5.609 -5.582 1.00 0.00 C ATOM 1195 CG1 VAL A 154 -5.509 6.797 -5.603 1.00 0.00 C ATOM 1196 CG2 VAL A 154 -3.184 6.004 -6.102 1.00 0.00 C ATOM 0 H VAL A 154 -3.179 3.555 -4.951 1.00 0.00 H new ATOM 0 HA VAL A 154 -4.204 5.817 -3.459 1.00 0.00 H new ATOM 0 HB VAL A 154 -4.961 4.841 -6.242 1.00 0.00 H new ATOM 0 HG11 VAL A 154 -5.570 7.197 -6.615 1.00 0.00 H new ATOM 0 HG12 VAL A 154 -6.499 6.476 -5.280 1.00 0.00 H new ATOM 0 HG13 VAL A 154 -5.141 7.570 -4.929 1.00 0.00 H new ATOM 0 HG21 VAL A 154 -3.280 6.416 -7.107 1.00 0.00 H new ATOM 0 HG22 VAL A 154 -2.747 6.754 -5.442 1.00 0.00 H new ATOM 0 HG23 VAL A 154 -2.539 5.126 -6.130 1.00 0.00 H new ATOM 1206 N ILE A 155 -6.568 5.140 -2.992 1.00 0.00 N ATOM 1207 CA ILE A 155 -7.881 4.674 -2.563 1.00 0.00 C ATOM 1208 C ILE A 155 -8.891 5.816 -2.553 1.00 0.00 C ATOM 1209 O ILE A 155 -8.572 6.936 -2.153 1.00 0.00 O ATOM 1210 CB ILE A 155 -7.820 4.041 -1.159 1.00 0.00 C ATOM 1211 CG1 ILE A 155 -7.068 2.710 -1.208 1.00 0.00 C ATOM 1212 CG2 ILE A 155 -9.221 3.841 -0.603 1.00 0.00 C ATOM 1213 CD1 ILE A 155 -6.373 2.360 0.090 1.00 0.00 C ATOM 0 H ILE A 155 -6.307 6.057 -2.629 1.00 0.00 H new ATOM 0 HA ILE A 155 -8.200 3.917 -3.280 1.00 0.00 H new ATOM 0 HB ILE A 155 -7.282 4.719 -0.497 1.00 0.00 H new ATOM 0 HG12 ILE A 155 -7.769 1.915 -1.461 1.00 0.00 H new ATOM 0 HG13 ILE A 155 -6.328 2.749 -2.008 1.00 0.00 H new ATOM 0 HG21 ILE A 155 -9.158 3.393 0.389 1.00 0.00 H new ATOM 0 HG22 ILE A 155 -9.726 4.804 -0.535 1.00 0.00 H new ATOM 0 HG23 ILE A 155 -9.784 3.182 -1.264 1.00 0.00 H new ATOM 0 HD11 ILE A 155 -5.861 1.404 -0.018 1.00 0.00 H new ATOM 0 HD12 ILE A 155 -5.647 3.135 0.335 1.00 0.00 H new ATOM 0 HD13 ILE A 155 -7.110 2.288 0.890 1.00 0.00 H new ATOM 1225 N GLU A 156 -10.111 5.527 -2.994 1.00 0.00 N ATOM 1226 CA GLU A 156 -11.167 6.532 -3.033 1.00 0.00 C ATOM 1227 C GLU A 156 -12.512 5.920 -2.660 1.00 0.00 C ATOM 1228 O GLU A 156 -13.284 5.583 -3.582 1.00 0.00 O ATOM 1229 CB GLU A 156 -11.248 7.165 -4.423 1.00 0.00 C ATOM 1230 CG GLU A 156 -12.467 8.052 -4.615 1.00 0.00 C ATOM 1231 CD GLU A 156 -12.693 8.993 -3.448 1.00 0.00 C ATOM 1232 OE1 GLU A 156 -13.307 8.562 -2.450 1.00 0.00 O ATOM 1233 OE2 GLU A 156 -12.254 10.159 -3.532 1.00 0.00 O ATOM 1234 OXT GLU A 156 -12.784 5.781 -1.449 1.00 0.00 O ATOM 0 H GLU A 156 -10.393 4.606 -3.329 1.00 0.00 H new ATOM 0 HA GLU A 156 -10.925 7.306 -2.304 1.00 0.00 H new ATOM 0 HB2 GLU A 156 -10.348 7.755 -4.598 1.00 0.00 H new ATOM 0 HB3 GLU A 156 -11.262 6.374 -5.173 1.00 0.00 H new ATOM 0 HG2 GLU A 156 -12.348 8.634 -5.529 1.00 0.00 H new ATOM 0 HG3 GLU A 156 -13.350 7.426 -4.749 1.00 0.00 H new