USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 498 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 Set 1.1: A 114 THR OG1 : rot 170:sc= -2.29! USER MOD Set 1.2: A 126 GLN : amide:sc= -2.79! K(o=-5.1!,f=-0.23) USER MOD Single : A 81 HIS : no HD1:sc= -5.72! C(o=-5.7!,f=-6.6!) USER MOD Single : A 85 SER OG : rot -67:sc= -6.05! USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.102 USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 116:sc= 0.309 USER MOD Single : A 96 SER OG : rot 180:sc= -1.12 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 ASN : amide:sc=-0.00155 K(o=-0.0016,f=-0.65) USER MOD Single : A 116 CYS SG : rot 159:sc= -5.9! USER MOD Single : A 121 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 124 MET CE :methyl -149:sc= -0.0237 (180deg=-0.0617) USER MOD Single : A 125 ASN : amide:sc= -0.0362 X(o=-0.036,f=-0.03) USER MOD Single : A 131 LYS NZ :NH3+ 168:sc=-0.000521 (180deg=-0.115) USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 134 THR OG1 : rot 180:sc= -0.0546 USER MOD Single : A 136 LYS NZ :NH3+ -105:sc= 0.524 (180deg=-0.29) USER MOD Single : A 142 SER OG : rot 54:sc= 1.18 USER MOD Single : A 144 GLN : amide:sc= -0.0245 X(o=-0.025,f=0) USER MOD ----------------------------------------------------------------- ATOM 130 N HIS A 81 -5.634 7.837 2.828 1.00 1.00 N ATOM 131 CA HIS A 81 -5.724 6.475 3.327 1.00 1.00 C ATOM 132 C HIS A 81 -4.318 5.937 3.601 1.00 1.00 C ATOM 133 O HIS A 81 -3.551 5.693 2.671 1.00 1.00 O ATOM 134 CB HIS A 81 -6.519 5.594 2.362 1.00 1.00 C ATOM 135 CG HIS A 81 -6.054 4.157 2.317 1.00 1.00 C ATOM 136 ND1 HIS A 81 -5.627 3.473 3.441 1.00 1.00 N ATOM 137 CD2 HIS A 81 -5.956 3.285 1.273 1.00 1.00 C ATOM 138 CE1 HIS A 81 -5.287 2.244 3.078 1.00 1.00 C ATOM 139 NE2 HIS A 81 -5.491 2.131 1.734 1.00 1.00 N ATOM 0 HA HIS A 81 -6.271 6.464 4.270 1.00 1.00 H new ATOM 0 HB2 HIS A 81 -7.570 5.616 2.648 1.00 1.00 H new ATOM 0 HB3 HIS A 81 -6.452 6.018 1.360 1.00 1.00 H new ATOM 0 HD2 HIS A 81 -6.213 3.498 0.246 1.00 1.00 H new ATOM 0 HE1 HIS A 81 -4.914 1.469 3.731 1.00 1.00 H new ATOM 0 HE2 HIS A 81 -5.315 1.296 1.175 1.00 1.00 H new ATOM 146 N ILE A 82 -4.023 5.766 4.882 1.00 1.00 N ATOM 147 CA ILE A 82 -2.723 5.260 5.289 1.00 1.00 C ATOM 148 C ILE A 82 -2.786 3.736 5.399 1.00 1.00 C ATOM 149 O ILE A 82 -3.514 3.199 6.233 1.00 1.00 O ATOM 150 CB ILE A 82 -2.259 5.951 6.574 1.00 1.00 C ATOM 151 CG1 ILE A 82 -2.212 7.470 6.393 1.00 1.00 C ATOM 152 CG2 ILE A 82 -0.916 5.388 7.043 1.00 1.00 C ATOM 153 CD1 ILE A 82 -1.133 7.870 5.384 1.00 1.00 C ATOM 0 H ILE A 82 -4.662 5.969 5.651 1.00 1.00 H new ATOM 0 HA ILE A 82 -1.969 5.495 4.537 1.00 1.00 H new ATOM 0 HB ILE A 82 -2.988 5.743 7.357 1.00 1.00 H new ATOM 0 HG12 ILE A 82 -3.183 7.829 6.053 1.00 1.00 H new ATOM 0 HG13 ILE A 82 -2.013 7.948 7.352 1.00 1.00 H new ATOM 0 HG21 ILE A 82 -0.608 5.895 7.957 1.00 1.00 H new ATOM 0 HG22 ILE A 82 -1.017 4.320 7.237 1.00 1.00 H new ATOM 0 HG23 ILE A 82 -0.165 5.547 6.269 1.00 1.00 H new ATOM 0 HD11 ILE A 82 -1.121 8.954 5.274 1.00 1.00 H new ATOM 0 HD12 ILE A 82 -0.160 7.531 5.738 1.00 1.00 H new ATOM 0 HD13 ILE A 82 -1.348 7.410 4.419 1.00 1.00 H new ATOM 164 N VAL A 83 -2.012 3.080 4.547 1.00 1.00 N ATOM 165 CA VAL A 83 -1.971 1.628 4.538 1.00 1.00 C ATOM 166 C VAL A 83 -1.068 1.142 5.673 1.00 1.00 C ATOM 167 O VAL A 83 0.129 1.429 5.687 1.00 1.00 O ATOM 168 CB VAL A 83 -1.525 1.125 3.163 1.00 1.00 C ATOM 169 CG1 VAL A 83 -1.323 -0.391 3.173 1.00 1.00 C ATOM 170 CG2 VAL A 83 -2.523 1.539 2.079 1.00 1.00 C ATOM 0 H VAL A 83 -1.408 3.528 3.858 1.00 1.00 H new ATOM 0 HA VAL A 83 -2.965 1.217 4.713 1.00 1.00 H new ATOM 0 HB VAL A 83 -0.566 1.588 2.931 1.00 1.00 H new ATOM 0 HG11 VAL A 83 -1.006 -0.722 2.184 1.00 1.00 H new ATOM 0 HG12 VAL A 83 -0.558 -0.651 3.905 1.00 1.00 H new ATOM 0 HG13 VAL A 83 -2.260 -0.881 3.437 1.00 1.00 H new ATOM 0 HG21 VAL A 83 -2.183 1.170 1.111 1.00 1.00 H new ATOM 0 HG22 VAL A 83 -3.502 1.117 2.305 1.00 1.00 H new ATOM 0 HG23 VAL A 83 -2.595 2.626 2.047 1.00 1.00 H new ATOM 180 N ARG A 84 -1.675 0.413 6.598 1.00 1.00 N ATOM 181 CA ARG A 84 -0.940 -0.118 7.735 1.00 1.00 C ATOM 182 C ARG A 84 -1.001 -1.646 7.741 1.00 1.00 C ATOM 183 O ARG A 84 -2.080 -2.229 7.638 1.00 1.00 O ATOM 184 CB ARG A 84 -1.509 0.414 9.053 1.00 1.00 C ATOM 185 CG ARG A 84 -1.217 1.907 9.214 1.00 1.00 C ATOM 186 CD ARG A 84 -2.251 2.572 10.124 1.00 1.00 C ATOM 187 NE ARG A 84 -2.030 4.035 10.158 1.00 1.00 N ATOM 188 CZ ARG A 84 -2.995 4.940 10.425 1.00 1.00 C ATOM 189 NH1 ARG A 84 -4.257 4.540 10.683 1.00 1.00 N ATOM 190 NH2 ARG A 84 -2.684 6.224 10.429 1.00 1.00 N ATOM 0 H ARG A 84 -2.667 0.177 6.584 1.00 1.00 H new ATOM 0 HA ARG A 84 0.097 0.206 7.641 1.00 1.00 H new ATOM 0 HB2 ARG A 84 -2.585 0.245 9.083 1.00 1.00 H new ATOM 0 HB3 ARG A 84 -1.077 -0.137 9.888 1.00 1.00 H new ATOM 0 HG2 ARG A 84 -0.219 2.043 9.631 1.00 1.00 H new ATOM 0 HG3 ARG A 84 -1.223 2.390 8.237 1.00 1.00 H new ATOM 0 HD2 ARG A 84 -3.257 2.356 9.764 1.00 1.00 H new ATOM 0 HD3 ARG A 84 -2.178 2.162 11.131 1.00 1.00 H new ATOM 0 HE ARG A 84 -1.090 4.381 9.968 1.00 1.00 H new ATOM 0 HH11 ARG A 84 -4.488 3.547 10.677 1.00 1.00 H new ATOM 0 HH12 ARG A 84 -4.980 5.231 10.884 1.00 1.00 H new ATOM 0 HH21 ARG A 84 -1.727 6.518 10.232 1.00 1.00 H new ATOM 0 HH22 ARG A 84 -3.401 6.922 10.629 1.00 1.00 H new ATOM 199 N SER A 85 0.171 -2.252 7.860 1.00 1.00 N ATOM 200 CA SER A 85 0.265 -3.702 7.880 1.00 1.00 C ATOM 201 C SER A 85 -0.581 -4.266 9.024 1.00 1.00 C ATOM 202 O SER A 85 -0.238 -4.103 10.194 1.00 1.00 O ATOM 203 CB SER A 85 1.718 -4.158 8.021 1.00 1.00 C ATOM 204 OG SER A 85 2.290 -4.515 6.766 1.00 1.00 O ATOM 0 H SER A 85 1.064 -1.765 7.944 1.00 1.00 H new ATOM 0 HA SER A 85 -0.117 -4.082 6.932 1.00 1.00 H new ATOM 0 HB2 SER A 85 2.306 -3.360 8.473 1.00 1.00 H new ATOM 0 HB3 SER A 85 1.766 -5.012 8.697 1.00 1.00 H new ATOM 0 HG SER A 85 1.849 -5.320 6.423 1.00 1.00 H new ATOM 209 N PRO A 86 -1.701 -4.934 8.635 1.00 1.00 N ATOM 210 CA PRO A 86 -2.599 -5.522 9.614 1.00 1.00 C ATOM 211 C PRO A 86 -2.001 -6.799 10.208 1.00 1.00 C ATOM 212 O PRO A 86 -2.621 -7.445 11.052 1.00 1.00 O ATOM 213 CB PRO A 86 -3.896 -5.768 8.861 1.00 1.00 C ATOM 214 CG PRO A 86 -3.531 -5.743 7.384 1.00 1.00 C ATOM 215 CD PRO A 86 -2.139 -5.145 7.258 1.00 1.00 C ATOM 0 HA PRO A 86 -2.770 -4.872 10.472 1.00 1.00 H new ATOM 0 HB2 PRO A 86 -4.333 -6.727 9.139 1.00 1.00 H new ATOM 0 HB3 PRO A 86 -4.635 -5.001 9.094 1.00 1.00 H new ATOM 0 HG2 PRO A 86 -3.553 -6.750 6.968 1.00 1.00 H new ATOM 0 HG3 PRO A 86 -4.253 -5.151 6.822 1.00 1.00 H new ATOM 0 HD2 PRO A 86 -1.466 -5.818 6.727 1.00 1.00 H new ATOM 0 HD3 PRO A 86 -2.159 -4.208 6.701 1.00 1.00 H new ATOM 220 N MET A 87 -0.803 -7.125 9.746 1.00 1.00 N ATOM 221 CA MET A 87 -0.115 -8.312 10.222 1.00 1.00 C ATOM 222 C MET A 87 1.390 -8.215 9.964 1.00 1.00 C ATOM 223 O MET A 87 1.816 -7.971 8.836 1.00 1.00 O ATOM 224 CB MET A 87 -0.674 -9.546 9.510 1.00 1.00 C ATOM 225 CG MET A 87 -1.756 -10.223 10.356 1.00 1.00 C ATOM 226 SD MET A 87 -3.348 -10.042 9.571 1.00 1.00 S ATOM 227 CE MET A 87 -3.420 -11.574 8.658 1.00 1.00 C ATOM 0 H MET A 87 -0.291 -6.587 9.047 1.00 1.00 H new ATOM 0 HA MET A 87 -0.277 -8.395 11.297 1.00 1.00 H new ATOM 0 HB2 MET A 87 -1.090 -9.257 8.545 1.00 1.00 H new ATOM 0 HB3 MET A 87 0.132 -10.252 9.311 1.00 1.00 H new ATOM 0 HG2 MET A 87 -1.522 -11.280 10.482 1.00 1.00 H new ATOM 0 HG3 MET A 87 -1.780 -9.781 11.352 1.00 1.00 H new ATOM 0 HE1 MET A 87 -4.358 -11.625 8.106 1.00 1.00 H new ATOM 0 HE2 MET A 87 -2.585 -11.621 7.959 1.00 1.00 H new ATOM 0 HE3 MET A 87 -3.361 -12.414 9.351 1.00 1.00 H new ATOM 235 N VAL A 88 2.154 -8.408 11.029 1.00 1.00 N ATOM 236 CA VAL A 88 3.603 -8.344 10.932 1.00 1.00 C ATOM 237 C VAL A 88 4.070 -9.205 9.758 1.00 1.00 C ATOM 238 O VAL A 88 3.427 -10.196 9.415 1.00 1.00 O ATOM 239 CB VAL A 88 4.234 -8.757 12.264 1.00 1.00 C ATOM 240 CG1 VAL A 88 5.741 -8.490 12.261 1.00 1.00 C ATOM 241 CG2 VAL A 88 3.555 -8.048 13.437 1.00 1.00 C ATOM 0 H VAL A 88 1.797 -8.609 11.963 1.00 1.00 H new ATOM 0 HA VAL A 88 3.928 -7.322 10.735 1.00 1.00 H new ATOM 0 HB VAL A 88 4.082 -9.829 12.388 1.00 1.00 H new ATOM 0 HG11 VAL A 88 6.166 -8.792 13.218 1.00 1.00 H new ATOM 0 HG12 VAL A 88 6.210 -9.061 11.460 1.00 1.00 H new ATOM 0 HG13 VAL A 88 5.922 -7.427 12.103 1.00 1.00 H new ATOM 0 HG21 VAL A 88 4.023 -8.360 14.371 1.00 1.00 H new ATOM 0 HG22 VAL A 88 3.661 -6.969 13.321 1.00 1.00 H new ATOM 0 HG23 VAL A 88 2.497 -8.309 13.457 1.00 1.00 H new ATOM 251 N GLY A 89 5.185 -8.794 9.171 1.00 1.00 N ATOM 252 CA GLY A 89 5.745 -9.515 8.041 1.00 1.00 C ATOM 253 C GLY A 89 6.734 -8.640 7.268 1.00 1.00 C ATOM 254 O GLY A 89 7.583 -7.980 7.866 1.00 1.00 O ATOM 0 H GLY A 89 5.715 -7.971 9.457 1.00 1.00 H new ATOM 0 HA2 GLY A 89 6.249 -10.415 8.393 1.00 1.00 H new ATOM 0 HA3 GLY A 89 4.943 -9.837 7.377 1.00 1.00 H new ATOM 258 N THR A 90 6.591 -8.662 5.951 1.00 1.00 N ATOM 259 CA THR A 90 7.461 -7.879 5.091 1.00 1.00 C ATOM 260 C THR A 90 6.657 -7.243 3.956 1.00 1.00 C ATOM 261 O THR A 90 5.937 -7.934 3.236 1.00 1.00 O ATOM 262 CB THR A 90 8.586 -8.792 4.599 1.00 1.00 C ATOM 263 OG1 THR A 90 9.211 -9.247 5.796 1.00 1.00 O ATOM 264 CG2 THR A 90 9.691 -8.022 3.873 1.00 1.00 C ATOM 0 H THR A 90 5.885 -9.210 5.459 1.00 1.00 H new ATOM 0 HA THR A 90 7.910 -7.048 5.635 1.00 1.00 H new ATOM 0 HB THR A 90 8.173 -9.549 3.932 1.00 1.00 H new ATOM 0 HG1 THR A 90 9.952 -9.847 5.570 1.00 1.00 H new ATOM 0 HG21 THR A 90 10.464 -8.717 3.545 1.00 1.00 H new ATOM 0 HG22 THR A 90 9.270 -7.512 3.006 1.00 1.00 H new ATOM 0 HG23 THR A 90 10.127 -7.287 4.550 1.00 1.00 H new ATOM 272 N PHE A 91 6.806 -5.932 3.830 1.00 1.00 N ATOM 273 CA PHE A 91 6.103 -5.194 2.794 1.00 1.00 C ATOM 274 C PHE A 91 6.935 -5.120 1.513 1.00 1.00 C ATOM 275 O PHE A 91 8.128 -4.825 1.559 1.00 1.00 O ATOM 276 CB PHE A 91 5.880 -3.778 3.328 1.00 1.00 C ATOM 277 CG PHE A 91 5.244 -2.825 2.313 1.00 1.00 C ATOM 278 CD1 PHE A 91 5.954 -2.411 1.231 1.00 1.00 C ATOM 279 CD2 PHE A 91 3.968 -2.391 2.495 1.00 1.00 C ATOM 280 CE1 PHE A 91 5.365 -1.526 0.290 1.00 1.00 C ATOM 281 CE2 PHE A 91 3.378 -1.505 1.555 1.00 1.00 C ATOM 282 CZ PHE A 91 4.088 -1.092 0.471 1.00 1.00 C ATOM 0 H PHE A 91 7.404 -5.362 4.429 1.00 1.00 H new ATOM 0 HA PHE A 91 5.163 -5.691 2.555 1.00 1.00 H new ATOM 0 HB2 PHE A 91 5.244 -3.830 4.211 1.00 1.00 H new ATOM 0 HB3 PHE A 91 6.837 -3.366 3.648 1.00 1.00 H new ATOM 0 HD1 PHE A 91 6.967 -2.755 1.087 1.00 1.00 H new ATOM 0 HD2 PHE A 91 3.403 -2.720 3.355 1.00 1.00 H new ATOM 0 HE1 PHE A 91 5.930 -1.197 -0.569 1.00 1.00 H new ATOM 0 HE2 PHE A 91 2.365 -1.159 1.701 1.00 1.00 H new ATOM 0 HZ PHE A 91 3.639 -0.420 -0.245 1.00 1.00 H new ATOM 291 N TYR A 92 6.272 -5.392 0.398 1.00 1.00 N ATOM 292 CA TYR A 92 6.936 -5.359 -0.894 1.00 1.00 C ATOM 293 C TYR A 92 6.141 -4.520 -1.898 1.00 1.00 C ATOM 294 O TYR A 92 4.913 -4.486 -1.849 1.00 1.00 O ATOM 295 CB TYR A 92 6.980 -6.809 -1.383 1.00 1.00 C ATOM 296 CG TYR A 92 8.048 -7.663 -0.697 1.00 1.00 C ATOM 297 CD1 TYR A 92 9.384 -7.361 -0.862 1.00 1.00 C ATOM 298 CD2 TYR A 92 7.674 -8.737 0.086 1.00 1.00 C ATOM 299 CE1 TYR A 92 10.389 -8.166 -0.217 1.00 1.00 C ATOM 300 CE2 TYR A 92 8.679 -9.541 0.731 1.00 1.00 C ATOM 301 CZ TYR A 92 9.987 -9.216 0.547 1.00 1.00 C ATOM 302 OH TYR A 92 10.937 -9.977 1.157 1.00 1.00 O ATOM 0 H TYR A 92 5.282 -5.636 0.363 1.00 1.00 H new ATOM 0 HA TYR A 92 7.928 -4.917 -0.804 1.00 1.00 H new ATOM 0 HB2 TYR A 92 6.004 -7.266 -1.221 1.00 1.00 H new ATOM 0 HB3 TYR A 92 7.160 -6.814 -2.458 1.00 1.00 H new ATOM 0 HD1 TYR A 92 9.676 -6.521 -1.475 1.00 1.00 H new ATOM 0 HD2 TYR A 92 6.628 -8.974 0.214 1.00 1.00 H new ATOM 0 HE1 TYR A 92 11.438 -7.941 -0.338 1.00 1.00 H new ATOM 0 HE2 TYR A 92 8.401 -10.383 1.347 1.00 1.00 H new ATOM 0 HH TYR A 92 10.504 -10.691 1.671 1.00 1.00 H new ATOM 311 N ARG A 93 6.876 -3.863 -2.782 1.00 1.00 N ATOM 312 CA ARG A 93 6.256 -3.025 -3.796 1.00 1.00 C ATOM 313 C ARG A 93 6.093 -3.806 -5.102 1.00 1.00 C ATOM 314 O ARG A 93 5.372 -3.374 -6.001 1.00 1.00 O ATOM 315 CB ARG A 93 7.090 -1.770 -4.060 1.00 1.00 C ATOM 316 CG ARG A 93 7.324 -0.986 -2.767 1.00 1.00 C ATOM 317 CD ARG A 93 6.248 0.086 -2.575 1.00 1.00 C ATOM 318 NE ARG A 93 6.107 0.889 -3.809 1.00 1.00 N ATOM 319 CZ ARG A 93 7.039 1.755 -4.259 1.00 1.00 C ATOM 320 NH1 ARG A 93 8.190 1.939 -3.579 1.00 1.00 N ATOM 321 NH2 ARG A 93 6.808 2.421 -5.376 1.00 1.00 N ATOM 0 H ARG A 93 7.895 -3.893 -2.818 1.00 1.00 H new ATOM 0 HA ARG A 93 5.277 -2.724 -3.424 1.00 1.00 H new ATOM 0 HB2 ARG A 93 8.048 -2.051 -4.498 1.00 1.00 H new ATOM 0 HB3 ARG A 93 6.581 -1.137 -4.787 1.00 1.00 H new ATOM 0 HG2 ARG A 93 7.318 -1.669 -1.917 1.00 1.00 H new ATOM 0 HG3 ARG A 93 8.308 -0.518 -2.794 1.00 1.00 H new ATOM 0 HD2 ARG A 93 5.296 -0.383 -2.326 1.00 1.00 H new ATOM 0 HD3 ARG A 93 6.513 0.733 -1.739 1.00 1.00 H new ATOM 0 HE ARG A 93 5.252 0.781 -4.354 1.00 1.00 H new ATOM 0 HH11 ARG A 93 8.361 1.421 -2.717 1.00 1.00 H new ATOM 0 HH12 ARG A 93 8.889 2.596 -3.927 1.00 1.00 H new ATOM 0 HH21 ARG A 93 5.936 2.277 -5.885 1.00 1.00 H new ATOM 0 HH22 ARG A 93 7.502 3.079 -5.730 1.00 1.00 H new ATOM 330 N THR A 94 6.774 -4.940 -5.165 1.00 1.00 N ATOM 331 CA THR A 94 6.715 -5.783 -6.347 1.00 1.00 C ATOM 332 C THR A 94 6.550 -7.251 -5.947 1.00 1.00 C ATOM 333 O THR A 94 6.926 -7.642 -4.842 1.00 1.00 O ATOM 334 CB THR A 94 7.969 -5.518 -7.182 1.00 1.00 C ATOM 335 OG1 THR A 94 9.040 -5.652 -6.252 1.00 1.00 O ATOM 336 CG2 THR A 94 8.062 -4.065 -7.651 1.00 1.00 C ATOM 0 H THR A 94 7.370 -5.295 -4.417 1.00 1.00 H new ATOM 0 HA THR A 94 5.845 -5.545 -6.959 1.00 1.00 H new ATOM 0 HB THR A 94 7.976 -6.180 -8.048 1.00 1.00 H new ATOM 0 HG1 THR A 94 9.605 -6.410 -6.510 1.00 1.00 H new ATOM 0 HG21 THR A 94 8.970 -3.930 -8.239 1.00 1.00 H new ATOM 0 HG22 THR A 94 7.193 -3.824 -8.264 1.00 1.00 H new ATOM 0 HG23 THR A 94 8.089 -3.404 -6.785 1.00 1.00 H new ATOM 344 N PRO A 95 5.976 -8.044 -6.889 1.00 1.00 N ATOM 345 CA PRO A 95 5.758 -9.459 -6.647 1.00 1.00 C ATOM 346 C PRO A 95 7.070 -10.241 -6.741 1.00 1.00 C ATOM 347 O PRO A 95 7.209 -11.303 -6.137 1.00 1.00 O ATOM 348 CB PRO A 95 4.737 -9.886 -7.689 1.00 1.00 C ATOM 349 CG PRO A 95 4.770 -8.814 -8.767 1.00 1.00 C ATOM 350 CD PRO A 95 5.520 -7.615 -8.209 1.00 1.00 C ATOM 0 HA PRO A 95 5.388 -9.660 -5.641 1.00 1.00 H new ATOM 0 HB2 PRO A 95 4.986 -10.863 -8.102 1.00 1.00 H new ATOM 0 HB3 PRO A 95 3.742 -9.969 -7.251 1.00 1.00 H new ATOM 0 HG2 PRO A 95 5.263 -9.189 -9.664 1.00 1.00 H new ATOM 0 HG3 PRO A 95 3.758 -8.531 -9.055 1.00 1.00 H new ATOM 0 HD2 PRO A 95 6.359 -7.341 -8.848 1.00 1.00 H new ATOM 0 HD3 PRO A 95 4.873 -6.741 -8.140 1.00 1.00 H new ATOM 355 N SER A 96 8.000 -9.683 -7.503 1.00 1.00 N ATOM 356 CA SER A 96 9.297 -10.314 -7.684 1.00 1.00 C ATOM 357 C SER A 96 10.391 -9.248 -7.759 1.00 1.00 C ATOM 358 O SER A 96 10.103 -8.052 -7.713 1.00 1.00 O ATOM 359 CB SER A 96 9.315 -11.183 -8.942 1.00 1.00 C ATOM 360 OG SER A 96 9.700 -12.526 -8.658 1.00 1.00 O ATOM 0 H SER A 96 7.881 -8.801 -8.002 1.00 1.00 H new ATOM 0 HA SER A 96 9.486 -10.960 -6.827 1.00 1.00 H new ATOM 0 HB2 SER A 96 8.326 -11.179 -9.400 1.00 1.00 H new ATOM 0 HB3 SER A 96 10.005 -10.754 -9.669 1.00 1.00 H new ATOM 0 HG SER A 96 9.698 -13.049 -9.487 1.00 1.00 H new ATOM 365 N PRO A 97 11.657 -9.732 -7.877 1.00 1.00 N ATOM 366 CA PRO A 97 12.796 -8.833 -7.959 1.00 1.00 C ATOM 367 C PRO A 97 12.880 -8.179 -9.340 1.00 1.00 C ATOM 368 O PRO A 97 13.164 -6.987 -9.450 1.00 1.00 O ATOM 369 CB PRO A 97 14.003 -9.698 -7.638 1.00 1.00 C ATOM 370 CG PRO A 97 13.553 -11.136 -7.844 1.00 1.00 C ATOM 371 CD PRO A 97 12.035 -11.140 -7.935 1.00 1.00 C ATOM 0 HA PRO A 97 12.724 -7.998 -7.262 1.00 1.00 H new ATOM 0 HB2 PRO A 97 14.842 -9.454 -8.289 1.00 1.00 H new ATOM 0 HB3 PRO A 97 14.338 -9.537 -6.613 1.00 1.00 H new ATOM 0 HG2 PRO A 97 13.991 -11.547 -8.754 1.00 1.00 H new ATOM 0 HG3 PRO A 97 13.888 -11.763 -7.018 1.00 1.00 H new ATOM 0 HD2 PRO A 97 11.695 -11.603 -8.861 1.00 1.00 H new ATOM 0 HD3 PRO A 97 11.591 -11.704 -7.115 1.00 1.00 H new ATOM 376 N ASP A 98 12.627 -8.987 -10.359 1.00 1.00 N ATOM 377 CA ASP A 98 12.670 -8.502 -11.728 1.00 1.00 C ATOM 378 C ASP A 98 11.247 -8.418 -12.280 1.00 1.00 C ATOM 379 O ASP A 98 10.950 -8.984 -13.330 1.00 1.00 O ATOM 380 CB ASP A 98 13.469 -9.451 -12.623 1.00 1.00 C ATOM 381 CG ASP A 98 14.212 -8.778 -13.780 1.00 1.00 C ATOM 382 OD1 ASP A 98 13.994 -9.103 -14.956 1.00 1.00 O ATOM 383 OD2 ASP A 98 15.059 -7.869 -13.428 1.00 1.00 O ATOM 0 H ASP A 98 12.391 -9.975 -10.264 1.00 1.00 H new ATOM 0 HA ASP A 98 13.147 -7.522 -11.724 1.00 1.00 H new ATOM 0 HB2 ASP A 98 14.193 -9.984 -12.007 1.00 1.00 H new ATOM 0 HB3 ASP A 98 12.789 -10.198 -13.033 1.00 1.00 H new ATOM 388 N ALA A 99 10.403 -7.707 -11.547 1.00 1.00 N ATOM 389 CA ALA A 99 9.017 -7.541 -11.950 1.00 1.00 C ATOM 390 C ALA A 99 8.625 -6.067 -11.821 1.00 1.00 C ATOM 391 O ALA A 99 9.289 -5.304 -11.122 1.00 1.00 O ATOM 392 CB ALA A 99 8.126 -8.456 -11.107 1.00 1.00 C ATOM 0 H ALA A 99 10.653 -7.239 -10.676 1.00 1.00 H new ATOM 0 HA ALA A 99 8.885 -7.828 -12.993 1.00 1.00 H new ATOM 0 HB1 ALA A 99 7.086 -8.331 -11.410 1.00 1.00 H new ATOM 0 HB2 ALA A 99 8.425 -9.493 -11.256 1.00 1.00 H new ATOM 0 HB3 ALA A 99 8.231 -8.196 -10.054 1.00 1.00 H new ATOM 398 N LYS A 100 7.549 -5.713 -12.508 1.00 1.00 N ATOM 399 CA LYS A 100 7.061 -4.344 -12.479 1.00 1.00 C ATOM 400 C LYS A 100 6.567 -4.012 -11.070 1.00 1.00 C ATOM 401 O LYS A 100 6.400 -4.905 -10.241 1.00 1.00 O ATOM 402 CB LYS A 100 6.007 -4.127 -13.567 1.00 1.00 C ATOM 403 CG LYS A 100 6.350 -4.923 -14.828 1.00 1.00 C ATOM 404 CD LYS A 100 5.537 -6.218 -14.898 1.00 1.00 C ATOM 405 CE LYS A 100 4.648 -6.241 -16.143 1.00 1.00 C ATOM 406 NZ LYS A 100 3.559 -5.245 -16.021 1.00 1.00 N ATOM 0 H LYS A 100 7.002 -6.349 -13.088 1.00 1.00 H new ATOM 0 HA LYS A 100 7.868 -3.648 -12.706 1.00 1.00 H new ATOM 0 HB2 LYS A 100 5.028 -4.430 -13.196 1.00 1.00 H new ATOM 0 HB3 LYS A 100 5.941 -3.066 -13.809 1.00 1.00 H new ATOM 0 HG2 LYS A 100 6.150 -4.316 -15.711 1.00 1.00 H new ATOM 0 HG3 LYS A 100 7.415 -5.157 -14.836 1.00 1.00 H new ATOM 0 HD2 LYS A 100 6.211 -7.074 -14.912 1.00 1.00 H new ATOM 0 HD3 LYS A 100 4.920 -6.313 -14.004 1.00 1.00 H new ATOM 0 HE2 LYS A 100 5.247 -6.027 -17.029 1.00 1.00 H new ATOM 0 HE3 LYS A 100 4.225 -7.237 -16.277 1.00 1.00 H new ATOM 0 HZ1 LYS A 100 2.965 -5.274 -16.874 1.00 1.00 H new ATOM 0 HZ2 LYS A 100 2.978 -5.466 -15.187 1.00 1.00 H new ATOM 0 HZ3 LYS A 100 3.968 -4.295 -15.916 1.00 1.00 H new ATOM 415 N ALA A 101 6.349 -2.726 -10.841 1.00 1.00 N ATOM 416 CA ALA A 101 5.877 -2.265 -9.547 1.00 1.00 C ATOM 417 C ALA A 101 4.348 -2.269 -9.534 1.00 1.00 C ATOM 418 O ALA A 101 3.715 -1.798 -10.478 1.00 1.00 O ATOM 419 CB ALA A 101 6.459 -0.881 -9.253 1.00 1.00 C ATOM 0 H ALA A 101 6.491 -1.988 -11.531 1.00 1.00 H new ATOM 0 HA ALA A 101 6.215 -2.935 -8.756 1.00 1.00 H new ATOM 0 HB1 ALA A 101 6.104 -0.536 -8.282 1.00 1.00 H new ATOM 0 HB2 ALA A 101 7.547 -0.939 -9.242 1.00 1.00 H new ATOM 0 HB3 ALA A 101 6.141 -0.181 -10.025 1.00 1.00 H new ATOM 425 N PHE A 102 3.796 -2.805 -8.455 1.00 1.00 N ATOM 426 CA PHE A 102 2.352 -2.876 -8.308 1.00 1.00 C ATOM 427 C PHE A 102 1.713 -1.499 -8.503 1.00 1.00 C ATOM 428 O PHE A 102 0.665 -1.382 -9.136 1.00 1.00 O ATOM 429 CB PHE A 102 2.072 -3.359 -6.884 1.00 1.00 C ATOM 430 CG PHE A 102 2.029 -4.881 -6.740 1.00 1.00 C ATOM 431 CD1 PHE A 102 0.974 -5.583 -7.235 1.00 1.00 C ATOM 432 CD2 PHE A 102 3.049 -5.534 -6.119 1.00 1.00 C ATOM 433 CE1 PHE A 102 0.935 -6.996 -7.100 1.00 1.00 C ATOM 434 CE2 PHE A 102 3.010 -6.947 -5.986 1.00 1.00 C ATOM 435 CZ PHE A 102 1.955 -7.649 -6.479 1.00 1.00 C ATOM 0 H PHE A 102 4.323 -3.195 -7.674 1.00 1.00 H new ATOM 0 HA PHE A 102 1.934 -3.550 -9.056 1.00 1.00 H new ATOM 0 HB2 PHE A 102 2.840 -2.963 -6.220 1.00 1.00 H new ATOM 0 HB3 PHE A 102 1.119 -2.946 -6.552 1.00 1.00 H new ATOM 0 HD1 PHE A 102 0.166 -5.065 -7.731 1.00 1.00 H new ATOM 0 HD2 PHE A 102 3.888 -4.978 -5.728 1.00 1.00 H new ATOM 0 HE1 PHE A 102 0.096 -7.553 -7.490 1.00 1.00 H new ATOM 0 HE2 PHE A 102 3.819 -7.465 -5.493 1.00 1.00 H new ATOM 0 HZ PHE A 102 1.926 -8.724 -6.378 1.00 1.00 H new ATOM 444 N ILE A 103 2.373 -0.493 -7.948 1.00 1.00 N ATOM 445 CA ILE A 103 1.882 0.871 -8.052 1.00 1.00 C ATOM 446 C ILE A 103 3.063 1.819 -8.269 1.00 1.00 C ATOM 447 O ILE A 103 4.015 1.818 -7.490 1.00 1.00 O ATOM 448 CB ILE A 103 1.024 1.226 -6.836 1.00 1.00 C ATOM 449 CG1 ILE A 103 1.811 1.043 -5.537 1.00 1.00 C ATOM 450 CG2 ILE A 103 -0.281 0.428 -6.834 1.00 1.00 C ATOM 451 CD1 ILE A 103 1.153 1.805 -4.385 1.00 1.00 C ATOM 0 H ILE A 103 3.243 -0.595 -7.425 1.00 1.00 H new ATOM 0 HA ILE A 103 1.227 0.975 -8.917 1.00 1.00 H new ATOM 0 HB ILE A 103 0.756 2.280 -6.903 1.00 1.00 H new ATOM 0 HG12 ILE A 103 1.870 -0.017 -5.290 1.00 1.00 H new ATOM 0 HG13 ILE A 103 2.833 1.396 -5.674 1.00 1.00 H new ATOM 0 HG21 ILE A 103 -0.872 0.699 -5.959 1.00 1.00 H new ATOM 0 HG22 ILE A 103 -0.847 0.653 -7.738 1.00 1.00 H new ATOM 0 HG23 ILE A 103 -0.056 -0.638 -6.803 1.00 1.00 H new ATOM 0 HD11 ILE A 103 1.732 1.658 -3.474 1.00 1.00 H new ATOM 0 HD12 ILE A 103 1.117 2.868 -4.625 1.00 1.00 H new ATOM 0 HD13 ILE A 103 0.140 1.433 -4.235 1.00 1.00 H new ATOM 462 N GLU A 104 2.963 2.603 -9.332 1.00 1.00 N ATOM 463 CA GLU A 104 4.012 3.553 -9.662 1.00 1.00 C ATOM 464 C GLU A 104 3.601 4.965 -9.241 1.00 1.00 C ATOM 465 O GLU A 104 2.593 5.489 -9.713 1.00 1.00 O ATOM 466 CB GLU A 104 4.349 3.503 -11.154 1.00 1.00 C ATOM 467 CG GLU A 104 5.517 2.551 -11.420 1.00 1.00 C ATOM 468 CD GLU A 104 6.778 3.011 -10.685 1.00 1.00 C ATOM 469 OE1 GLU A 104 7.218 2.348 -9.735 1.00 1.00 O ATOM 470 OE2 GLU A 104 7.304 4.099 -11.136 1.00 1.00 O ATOM 0 H GLU A 104 2.172 2.600 -9.976 1.00 1.00 H new ATOM 0 HA GLU A 104 4.911 3.277 -9.111 1.00 1.00 H new ATOM 0 HB2 GLU A 104 3.474 3.178 -11.717 1.00 1.00 H new ATOM 0 HB3 GLU A 104 4.602 4.503 -11.507 1.00 1.00 H new ATOM 0 HG2 GLU A 104 5.251 1.544 -11.098 1.00 1.00 H new ATOM 0 HG3 GLU A 104 5.714 2.501 -12.491 1.00 1.00 H new ATOM 476 N VAL A 105 4.400 5.541 -8.356 1.00 1.00 N ATOM 477 CA VAL A 105 4.132 6.882 -7.865 1.00 1.00 C ATOM 478 C VAL A 105 3.656 7.759 -9.024 1.00 1.00 C ATOM 479 O VAL A 105 4.398 7.992 -9.978 1.00 1.00 O ATOM 480 CB VAL A 105 5.372 7.441 -7.164 1.00 1.00 C ATOM 481 CG1 VAL A 105 5.162 8.901 -6.759 1.00 1.00 C ATOM 482 CG2 VAL A 105 5.749 6.585 -5.952 1.00 1.00 C ATOM 0 H VAL A 105 5.234 5.103 -7.966 1.00 1.00 H new ATOM 0 HA VAL A 105 3.335 6.864 -7.122 1.00 1.00 H new ATOM 0 HB VAL A 105 6.201 7.405 -7.871 1.00 1.00 H new ATOM 0 HG11 VAL A 105 6.058 9.273 -6.263 1.00 1.00 H new ATOM 0 HG12 VAL A 105 4.964 9.500 -7.648 1.00 1.00 H new ATOM 0 HG13 VAL A 105 4.314 8.971 -6.077 1.00 1.00 H new ATOM 0 HG21 VAL A 105 6.633 7.004 -5.472 1.00 1.00 H new ATOM 0 HG22 VAL A 105 4.922 6.574 -5.243 1.00 1.00 H new ATOM 0 HG23 VAL A 105 5.961 5.567 -6.278 1.00 1.00 H new ATOM 492 N GLY A 106 2.420 8.222 -8.906 1.00 1.00 N ATOM 493 CA GLY A 106 1.836 9.068 -9.933 1.00 1.00 C ATOM 494 C GLY A 106 0.642 8.378 -10.597 1.00 1.00 C ATOM 495 O GLY A 106 0.187 8.803 -11.658 1.00 1.00 O ATOM 0 H GLY A 106 1.807 8.027 -8.115 1.00 1.00 H new ATOM 0 HA2 GLY A 106 1.516 10.013 -9.493 1.00 1.00 H new ATOM 0 HA3 GLY A 106 2.588 9.305 -10.685 1.00 1.00 H new ATOM 499 N GLN A 107 0.168 7.327 -9.945 1.00 1.00 N ATOM 500 CA GLN A 107 -0.964 6.575 -10.459 1.00 1.00 C ATOM 501 C GLN A 107 -2.061 6.475 -9.398 1.00 1.00 C ATOM 502 O GLN A 107 -1.820 6.750 -8.223 1.00 1.00 O ATOM 503 CB GLN A 107 -0.529 5.186 -10.932 1.00 1.00 C ATOM 504 CG GLN A 107 -1.480 4.652 -12.006 1.00 1.00 C ATOM 505 CD GLN A 107 -0.742 3.735 -12.984 1.00 1.00 C ATOM 506 OE1 GLN A 107 -0.298 4.144 -14.044 1.00 1.00 O ATOM 507 NE2 GLN A 107 -0.635 2.475 -12.570 1.00 1.00 N ATOM 0 H GLN A 107 0.547 6.978 -9.065 1.00 1.00 H new ATOM 0 HA GLN A 107 -1.368 7.106 -11.321 1.00 1.00 H new ATOM 0 HB2 GLN A 107 0.485 5.234 -11.330 1.00 1.00 H new ATOM 0 HB3 GLN A 107 -0.508 4.499 -10.086 1.00 1.00 H new ATOM 0 HG2 GLN A 107 -2.297 4.105 -11.535 1.00 1.00 H new ATOM 0 HG3 GLN A 107 -1.926 5.485 -12.549 1.00 1.00 H new ATOM 0 HE21 GLN A 107 -1.029 2.198 -11.671 1.00 1.00 H new ATOM 0 HE22 GLN A 107 -0.158 1.786 -13.152 1.00 1.00 H new ATOM 514 N LYS A 108 -3.241 6.079 -9.848 1.00 1.00 N ATOM 515 CA LYS A 108 -4.376 5.938 -8.952 1.00 1.00 C ATOM 516 C LYS A 108 -4.692 4.453 -8.764 1.00 1.00 C ATOM 517 O LYS A 108 -4.212 3.612 -9.522 1.00 1.00 O ATOM 518 CB LYS A 108 -5.564 6.761 -9.458 1.00 1.00 C ATOM 519 CG LYS A 108 -5.097 8.091 -10.050 1.00 1.00 C ATOM 520 CD LYS A 108 -5.297 8.116 -11.567 1.00 1.00 C ATOM 521 CE LYS A 108 -5.846 9.469 -12.025 1.00 1.00 C ATOM 522 NZ LYS A 108 -7.181 9.302 -12.645 1.00 1.00 N ATOM 0 H LYS A 108 -3.437 5.851 -10.823 1.00 1.00 H new ATOM 0 HA LYS A 108 -4.136 6.340 -7.968 1.00 1.00 H new ATOM 0 HB2 LYS A 108 -6.108 6.194 -10.213 1.00 1.00 H new ATOM 0 HB3 LYS A 108 -6.257 6.947 -8.638 1.00 1.00 H new ATOM 0 HG2 LYS A 108 -5.651 8.911 -9.593 1.00 1.00 H new ATOM 0 HG3 LYS A 108 -4.044 8.248 -9.816 1.00 1.00 H new ATOM 0 HD2 LYS A 108 -4.349 7.917 -12.066 1.00 1.00 H new ATOM 0 HD3 LYS A 108 -5.984 7.322 -11.860 1.00 1.00 H new ATOM 0 HE2 LYS A 108 -5.915 10.147 -11.174 1.00 1.00 H new ATOM 0 HE3 LYS A 108 -5.160 9.924 -12.740 1.00 1.00 H new ATOM 0 HZ1 LYS A 108 -7.540 10.229 -12.951 1.00 1.00 H new ATOM 0 HZ2 LYS A 108 -7.105 8.671 -13.469 1.00 1.00 H new ATOM 0 HZ3 LYS A 108 -7.836 8.888 -11.952 1.00 1.00 H new ATOM 531 N VAL A 109 -5.497 4.176 -7.749 1.00 1.00 N ATOM 532 CA VAL A 109 -5.883 2.807 -7.452 1.00 1.00 C ATOM 533 C VAL A 109 -7.359 2.773 -7.052 1.00 1.00 C ATOM 534 O VAL A 109 -7.834 3.657 -6.342 1.00 1.00 O ATOM 535 CB VAL A 109 -4.959 2.224 -6.381 1.00 1.00 C ATOM 536 CG1 VAL A 109 -3.513 2.161 -6.878 1.00 1.00 C ATOM 537 CG2 VAL A 109 -5.057 3.022 -5.079 1.00 1.00 C ATOM 0 H VAL A 109 -5.893 4.876 -7.122 1.00 1.00 H new ATOM 0 HA VAL A 109 -5.772 2.178 -8.335 1.00 1.00 H new ATOM 0 HB VAL A 109 -5.287 1.205 -6.175 1.00 1.00 H new ATOM 0 HG11 VAL A 109 -2.878 1.743 -6.097 1.00 1.00 H new ATOM 0 HG12 VAL A 109 -3.460 1.530 -7.765 1.00 1.00 H new ATOM 0 HG13 VAL A 109 -3.169 3.165 -7.126 1.00 1.00 H new ATOM 0 HG21 VAL A 109 -4.390 2.587 -4.334 1.00 1.00 H new ATOM 0 HG22 VAL A 109 -4.768 4.057 -5.264 1.00 1.00 H new ATOM 0 HG23 VAL A 109 -6.082 2.992 -4.710 1.00 1.00 H new ATOM 547 N ASN A 110 -8.043 1.741 -7.525 1.00 1.00 N ATOM 548 CA ASN A 110 -9.456 1.580 -7.224 1.00 1.00 C ATOM 549 C ASN A 110 -9.661 0.283 -6.439 1.00 1.00 C ATOM 550 O ASN A 110 -8.954 -0.699 -6.659 1.00 1.00 O ATOM 551 CB ASN A 110 -10.284 1.491 -8.508 1.00 1.00 C ATOM 552 CG ASN A 110 -10.473 2.874 -9.136 1.00 1.00 C ATOM 553 OD1 ASN A 110 -9.529 3.606 -9.384 1.00 1.00 O ATOM 554 ND2 ASN A 110 -11.742 3.190 -9.377 1.00 1.00 N ATOM 0 H ASN A 110 -7.646 1.009 -8.114 1.00 1.00 H new ATOM 0 HA ASN A 110 -9.779 2.445 -6.644 1.00 1.00 H new ATOM 0 HB2 ASN A 110 -9.789 0.829 -9.219 1.00 1.00 H new ATOM 0 HB3 ASN A 110 -11.257 1.052 -8.288 1.00 1.00 H new ATOM 0 HD21 ASN A 110 -11.973 4.092 -9.794 1.00 1.00 H new ATOM 0 HD22 ASN A 110 -12.485 2.530 -9.145 1.00 1.00 H new ATOM 560 N VAL A 111 -10.633 0.321 -5.540 1.00 1.00 N ATOM 561 CA VAL A 111 -10.941 -0.838 -4.720 1.00 1.00 C ATOM 562 C VAL A 111 -10.856 -2.102 -5.579 1.00 1.00 C ATOM 563 O VAL A 111 -11.703 -2.327 -6.443 1.00 1.00 O ATOM 564 CB VAL A 111 -12.305 -0.660 -4.052 1.00 1.00 C ATOM 565 CG1 VAL A 111 -13.439 -1.023 -5.014 1.00 1.00 C ATOM 566 CG2 VAL A 111 -12.396 -1.480 -2.764 1.00 1.00 C ATOM 0 H VAL A 111 -11.218 1.137 -5.361 1.00 1.00 H new ATOM 0 HA VAL A 111 -10.212 -0.941 -3.916 1.00 1.00 H new ATOM 0 HB VAL A 111 -12.413 0.392 -3.788 1.00 1.00 H new ATOM 0 HG11 VAL A 111 -14.398 -0.888 -4.514 1.00 1.00 H new ATOM 0 HG12 VAL A 111 -13.393 -0.377 -5.891 1.00 1.00 H new ATOM 0 HG13 VAL A 111 -13.335 -2.063 -5.323 1.00 1.00 H new ATOM 0 HG21 VAL A 111 -13.376 -1.335 -2.309 1.00 1.00 H new ATOM 0 HG22 VAL A 111 -12.255 -2.536 -2.994 1.00 1.00 H new ATOM 0 HG23 VAL A 111 -11.622 -1.154 -2.069 1.00 1.00 H new ATOM 576 N GLY A 112 -9.827 -2.892 -5.314 1.00 1.00 N ATOM 577 CA GLY A 112 -9.620 -4.127 -6.051 1.00 1.00 C ATOM 578 C GLY A 112 -8.228 -4.161 -6.685 1.00 1.00 C ATOM 579 O GLY A 112 -7.784 -5.205 -7.160 1.00 1.00 O ATOM 0 H GLY A 112 -9.126 -2.701 -4.598 1.00 1.00 H new ATOM 0 HA2 GLY A 112 -9.739 -4.979 -5.381 1.00 1.00 H new ATOM 0 HA3 GLY A 112 -10.379 -4.223 -6.827 1.00 1.00 H new ATOM 583 N ASP A 113 -7.578 -3.006 -6.669 1.00 1.00 N ATOM 584 CA ASP A 113 -6.245 -2.891 -7.236 1.00 1.00 C ATOM 585 C ASP A 113 -5.206 -3.123 -6.137 1.00 1.00 C ATOM 586 O ASP A 113 -5.357 -2.630 -5.020 1.00 1.00 O ATOM 587 CB ASP A 113 -6.013 -1.496 -7.819 1.00 1.00 C ATOM 588 CG ASP A 113 -6.031 -1.422 -9.347 1.00 1.00 C ATOM 589 OD1 ASP A 113 -7.068 -1.658 -9.985 1.00 1.00 O ATOM 590 OD2 ASP A 113 -4.907 -1.100 -9.891 1.00 1.00 O ATOM 0 H ASP A 113 -7.949 -2.143 -6.273 1.00 1.00 H new ATOM 0 HA ASP A 113 -6.151 -3.633 -8.029 1.00 1.00 H new ATOM 0 HB2 ASP A 113 -6.777 -0.824 -7.429 1.00 1.00 H new ATOM 0 HB3 ASP A 113 -5.051 -1.126 -7.464 1.00 1.00 H new ATOM 595 N THR A 114 -4.175 -3.875 -6.491 1.00 1.00 N ATOM 596 CA THR A 114 -3.111 -4.179 -5.549 1.00 1.00 C ATOM 597 C THR A 114 -2.340 -2.908 -5.187 1.00 1.00 C ATOM 598 O THR A 114 -2.114 -2.051 -6.040 1.00 1.00 O ATOM 599 CB THR A 114 -2.231 -5.269 -6.164 1.00 1.00 C ATOM 600 OG1 THR A 114 -3.139 -6.331 -6.442 1.00 1.00 O ATOM 601 CG2 THR A 114 -1.253 -5.871 -5.153 1.00 1.00 C ATOM 0 H THR A 114 -4.053 -4.283 -7.418 1.00 1.00 H new ATOM 0 HA THR A 114 -3.512 -4.557 -4.609 1.00 1.00 H new ATOM 0 HB THR A 114 -1.675 -4.855 -7.005 1.00 1.00 H new ATOM 0 HG1 THR A 114 -2.690 -7.012 -6.985 1.00 1.00 H new ATOM 0 HG21 THR A 114 -0.653 -6.639 -5.641 1.00 1.00 H new ATOM 0 HG22 THR A 114 -0.599 -5.088 -4.769 1.00 1.00 H new ATOM 0 HG23 THR A 114 -1.810 -6.315 -4.328 1.00 1.00 H new ATOM 609 N LEU A 115 -1.957 -2.827 -3.921 1.00 1.00 N ATOM 610 CA LEU A 115 -1.215 -1.675 -3.436 1.00 1.00 C ATOM 611 C LEU A 115 0.205 -2.107 -3.067 1.00 1.00 C ATOM 612 O LEU A 115 1.148 -1.327 -3.198 1.00 1.00 O ATOM 613 CB LEU A 115 -1.970 -0.996 -2.291 1.00 1.00 C ATOM 614 CG LEU A 115 -1.981 -1.747 -0.958 1.00 1.00 C ATOM 615 CD1 LEU A 115 -1.078 -1.057 0.067 1.00 1.00 C ATOM 616 CD2 LEU A 115 -3.409 -1.920 -0.439 1.00 1.00 C ATOM 0 H LEU A 115 -2.146 -3.540 -3.217 1.00 1.00 H new ATOM 0 HA LEU A 115 -1.125 -0.922 -4.219 1.00 1.00 H new ATOM 0 HB2 LEU A 115 -1.533 -0.011 -2.127 1.00 1.00 H new ATOM 0 HB3 LEU A 115 -3.002 -0.838 -2.605 1.00 1.00 H new ATOM 0 HG LEU A 115 -1.576 -2.745 -1.124 1.00 1.00 H new ATOM 0 HD11 LEU A 115 -1.104 -1.611 1.006 1.00 1.00 H new ATOM 0 HD12 LEU A 115 -0.056 -1.029 -0.310 1.00 1.00 H new ATOM 0 HD13 LEU A 115 -1.431 -0.040 0.236 1.00 1.00 H new ATOM 0 HD21 LEU A 115 -3.389 -2.457 0.509 1.00 1.00 H new ATOM 0 HD22 LEU A 115 -3.864 -0.940 -0.292 1.00 1.00 H new ATOM 0 HD23 LEU A 115 -3.994 -2.486 -1.164 1.00 1.00 H new ATOM 627 N CYS A 116 0.313 -3.346 -2.613 1.00 1.00 N ATOM 628 CA CYS A 116 1.604 -3.890 -2.224 1.00 1.00 C ATOM 629 C CYS A 116 1.403 -5.350 -1.810 1.00 1.00 C ATOM 630 O CYS A 116 0.331 -5.915 -2.015 1.00 1.00 O ATOM 631 CB CYS A 116 2.253 -3.065 -1.111 1.00 1.00 C ATOM 632 SG CYS A 116 1.172 -3.045 0.366 1.00 1.00 S ATOM 0 H CYS A 116 -0.471 -3.989 -2.505 1.00 1.00 H new ATOM 0 HA CYS A 116 2.292 -3.843 -3.068 1.00 1.00 H new ATOM 0 HB2 CYS A 116 3.225 -3.486 -0.855 1.00 1.00 H new ATOM 0 HB3 CYS A 116 2.428 -2.046 -1.457 1.00 1.00 H new ATOM 0 HG CYS A 116 1.879 -2.755 1.418 1.00 1.00 H new ATOM 637 N ILE A 117 2.454 -5.917 -1.236 1.00 1.00 N ATOM 638 CA ILE A 117 2.408 -7.300 -0.791 1.00 1.00 C ATOM 639 C ILE A 117 2.920 -7.386 0.648 1.00 1.00 C ATOM 640 O ILE A 117 3.671 -6.521 1.096 1.00 1.00 O ATOM 641 CB ILE A 117 3.163 -8.203 -1.768 1.00 1.00 C ATOM 642 CG1 ILE A 117 2.625 -8.041 -3.191 1.00 1.00 C ATOM 643 CG2 ILE A 117 3.132 -9.660 -1.305 1.00 1.00 C ATOM 644 CD1 ILE A 117 1.215 -8.622 -3.314 1.00 1.00 C ATOM 0 H ILE A 117 3.342 -5.444 -1.069 1.00 1.00 H new ATOM 0 HA ILE A 117 1.381 -7.664 -0.786 1.00 1.00 H new ATOM 0 HB ILE A 117 4.208 -7.893 -1.782 1.00 1.00 H new ATOM 0 HG12 ILE A 117 2.612 -6.985 -3.460 1.00 1.00 H new ATOM 0 HG13 ILE A 117 3.291 -8.541 -3.894 1.00 1.00 H new ATOM 0 HG21 ILE A 117 3.676 -10.280 -2.018 1.00 1.00 H new ATOM 0 HG22 ILE A 117 3.600 -9.740 -0.324 1.00 1.00 H new ATOM 0 HG23 ILE A 117 2.098 -10.000 -1.243 1.00 1.00 H new ATOM 0 HD11 ILE A 117 0.856 -8.494 -4.335 1.00 1.00 H new ATOM 0 HD12 ILE A 117 1.236 -9.684 -3.067 1.00 1.00 H new ATOM 0 HD13 ILE A 117 0.547 -8.103 -2.627 1.00 1.00 H new ATOM 655 N VAL A 118 2.494 -8.437 1.332 1.00 1.00 N ATOM 656 CA VAL A 118 2.901 -8.648 2.711 1.00 1.00 C ATOM 657 C VAL A 118 3.297 -10.113 2.904 1.00 1.00 C ATOM 658 O VAL A 118 2.471 -11.010 2.743 1.00 1.00 O ATOM 659 CB VAL A 118 1.787 -8.200 3.659 1.00 1.00 C ATOM 660 CG1 VAL A 118 2.056 -8.680 5.087 1.00 1.00 C ATOM 661 CG2 VAL A 118 1.606 -6.682 3.615 1.00 1.00 C ATOM 0 H VAL A 118 1.871 -9.152 0.957 1.00 1.00 H new ATOM 0 HA VAL A 118 3.775 -8.042 2.948 1.00 1.00 H new ATOM 0 HB VAL A 118 0.857 -8.657 3.322 1.00 1.00 H new ATOM 0 HG11 VAL A 118 1.249 -8.348 5.740 1.00 1.00 H new ATOM 0 HG12 VAL A 118 2.110 -9.769 5.101 1.00 1.00 H new ATOM 0 HG13 VAL A 118 3.001 -8.266 5.438 1.00 1.00 H new ATOM 0 HG21 VAL A 118 0.808 -6.391 4.298 1.00 1.00 H new ATOM 0 HG22 VAL A 118 2.535 -6.196 3.914 1.00 1.00 H new ATOM 0 HG23 VAL A 118 1.346 -6.376 2.602 1.00 1.00 H new ATOM 671 N GLU A 119 4.561 -10.310 3.245 1.00 1.00 N ATOM 672 CA GLU A 119 5.078 -11.651 3.462 1.00 1.00 C ATOM 673 C GLU A 119 5.117 -11.970 4.958 1.00 1.00 C ATOM 674 O GLU A 119 5.585 -11.160 5.756 1.00 1.00 O ATOM 675 CB GLU A 119 6.461 -11.816 2.829 1.00 1.00 C ATOM 676 CG GLU A 119 6.538 -13.100 2.002 1.00 1.00 C ATOM 677 CD GLU A 119 7.499 -12.938 0.823 1.00 1.00 C ATOM 678 OE1 GLU A 119 8.692 -13.251 0.948 1.00 1.00 O ATOM 679 OE2 GLU A 119 6.967 -12.467 -0.253 1.00 1.00 O ATOM 0 H GLU A 119 5.243 -9.563 3.377 1.00 1.00 H new ATOM 0 HA GLU A 119 4.407 -12.360 2.977 1.00 1.00 H new ATOM 0 HB2 GLU A 119 6.679 -10.957 2.194 1.00 1.00 H new ATOM 0 HB3 GLU A 119 7.222 -11.836 3.610 1.00 1.00 H new ATOM 0 HG2 GLU A 119 6.868 -13.924 2.634 1.00 1.00 H new ATOM 0 HG3 GLU A 119 5.545 -13.359 1.633 1.00 1.00 H new ATOM 685 N ALA A 120 4.622 -13.152 5.291 1.00 1.00 N ATOM 686 CA ALA A 120 4.594 -13.589 6.677 1.00 1.00 C ATOM 687 C ALA A 120 4.275 -15.084 6.732 1.00 1.00 C ATOM 688 O ALA A 120 3.666 -15.625 5.811 1.00 1.00 O ATOM 689 CB ALA A 120 3.582 -12.748 7.458 1.00 1.00 C ATOM 0 H ALA A 120 4.237 -13.822 4.625 1.00 1.00 H new ATOM 0 HA ALA A 120 5.568 -13.443 7.143 1.00 1.00 H new ATOM 0 HB1 ALA A 120 3.561 -13.076 8.497 1.00 1.00 H new ATOM 0 HB2 ALA A 120 3.871 -11.698 7.415 1.00 1.00 H new ATOM 0 HB3 ALA A 120 2.592 -12.870 7.019 1.00 1.00 H new ATOM 695 N MET A 121 4.701 -15.708 7.819 1.00 1.00 N ATOM 696 CA MET A 121 4.469 -17.131 8.005 1.00 1.00 C ATOM 697 C MET A 121 4.896 -17.922 6.768 1.00 1.00 C ATOM 698 O MET A 121 4.308 -18.957 6.454 1.00 1.00 O ATOM 699 CB MET A 121 2.983 -17.373 8.279 1.00 1.00 C ATOM 700 CG MET A 121 2.632 -17.042 9.731 1.00 1.00 C ATOM 701 SD MET A 121 1.511 -18.267 10.383 1.00 1.00 S ATOM 702 CE MET A 121 2.680 -19.411 11.094 1.00 1.00 C ATOM 0 H MET A 121 5.206 -15.255 8.581 1.00 1.00 H new ATOM 0 HA MET A 121 5.064 -17.470 8.853 1.00 1.00 H new ATOM 0 HB2 MET A 121 2.381 -16.761 7.607 1.00 1.00 H new ATOM 0 HB3 MET A 121 2.736 -18.414 8.070 1.00 1.00 H new ATOM 0 HG2 MET A 121 3.539 -17.009 10.335 1.00 1.00 H new ATOM 0 HG3 MET A 121 2.176 -16.054 9.787 1.00 1.00 H new ATOM 0 HE1 MET A 121 2.144 -20.244 11.548 1.00 1.00 H new ATOM 0 HE2 MET A 121 3.342 -19.787 10.314 1.00 1.00 H new ATOM 0 HE3 MET A 121 3.270 -18.902 11.856 1.00 1.00 H new ATOM 710 N LYS A 122 5.915 -17.406 6.097 1.00 1.00 N ATOM 711 CA LYS A 122 6.427 -18.052 4.900 1.00 1.00 C ATOM 712 C LYS A 122 5.310 -18.152 3.861 1.00 1.00 C ATOM 713 O LYS A 122 5.132 -19.194 3.233 1.00 1.00 O ATOM 714 CB LYS A 122 7.065 -19.399 5.250 1.00 1.00 C ATOM 715 CG LYS A 122 8.400 -19.578 4.524 1.00 1.00 C ATOM 716 CD LYS A 122 8.534 -20.995 3.964 1.00 1.00 C ATOM 717 CE LYS A 122 9.200 -21.926 4.981 1.00 1.00 C ATOM 718 NZ LYS A 122 9.614 -23.190 4.331 1.00 1.00 N ATOM 0 H LYS A 122 6.400 -16.548 6.359 1.00 1.00 H new ATOM 0 HA LYS A 122 7.222 -17.454 4.455 1.00 1.00 H new ATOM 0 HB2 LYS A 122 7.221 -19.463 6.327 1.00 1.00 H new ATOM 0 HB3 LYS A 122 6.387 -20.208 4.978 1.00 1.00 H new ATOM 0 HG2 LYS A 122 8.477 -18.854 3.713 1.00 1.00 H new ATOM 0 HG3 LYS A 122 9.222 -19.375 5.211 1.00 1.00 H new ATOM 0 HD2 LYS A 122 7.549 -21.381 3.703 1.00 1.00 H new ATOM 0 HD3 LYS A 122 9.122 -20.973 3.046 1.00 1.00 H new ATOM 0 HE2 LYS A 122 10.068 -21.434 5.420 1.00 1.00 H new ATOM 0 HE3 LYS A 122 8.508 -22.139 5.796 1.00 1.00 H new ATOM 0 HZ1 LYS A 122 10.064 -23.811 5.034 1.00 1.00 H new ATOM 0 HZ2 LYS A 122 8.779 -23.666 3.933 1.00 1.00 H new ATOM 0 HZ3 LYS A 122 10.290 -22.983 3.569 1.00 1.00 H new ATOM 727 N MET A 123 4.585 -17.053 3.711 1.00 1.00 N ATOM 728 CA MET A 123 3.488 -17.003 2.759 1.00 1.00 C ATOM 729 C MET A 123 3.279 -15.580 2.238 1.00 1.00 C ATOM 730 O MET A 123 3.603 -14.611 2.922 1.00 1.00 O ATOM 731 CB MET A 123 2.206 -17.496 3.430 1.00 1.00 C ATOM 732 CG MET A 123 1.773 -18.849 2.861 1.00 1.00 C ATOM 733 SD MET A 123 1.101 -19.872 4.161 1.00 1.00 S ATOM 734 CE MET A 123 2.250 -21.238 4.105 1.00 1.00 C ATOM 0 H MET A 123 4.736 -16.190 4.233 1.00 1.00 H new ATOM 0 HA MET A 123 3.735 -17.646 1.914 1.00 1.00 H new ATOM 0 HB2 MET A 123 2.365 -17.584 4.505 1.00 1.00 H new ATOM 0 HB3 MET A 123 1.411 -16.765 3.284 1.00 1.00 H new ATOM 0 HG2 MET A 123 1.027 -18.702 2.080 1.00 1.00 H new ATOM 0 HG3 MET A 123 2.625 -19.348 2.398 1.00 1.00 H new ATOM 0 HE1 MET A 123 1.975 -21.976 4.859 1.00 1.00 H new ATOM 0 HE2 MET A 123 2.219 -21.699 3.118 1.00 1.00 H new ATOM 0 HE3 MET A 123 3.258 -20.874 4.304 1.00 1.00 H new ATOM 742 N MET A 124 2.737 -15.500 1.031 1.00 1.00 N ATOM 743 CA MET A 124 2.480 -14.211 0.411 1.00 1.00 C ATOM 744 C MET A 124 1.060 -13.729 0.717 1.00 1.00 C ATOM 745 O MET A 124 0.111 -14.509 0.669 1.00 1.00 O ATOM 746 CB MET A 124 2.664 -14.327 -1.103 1.00 1.00 C ATOM 747 CG MET A 124 2.594 -12.952 -1.771 1.00 1.00 C ATOM 748 SD MET A 124 2.405 -13.140 -3.537 1.00 1.00 S ATOM 749 CE MET A 124 0.643 -12.893 -3.687 1.00 1.00 C ATOM 0 H MET A 124 2.469 -16.306 0.467 1.00 1.00 H new ATOM 0 HA MET A 124 3.185 -13.486 0.817 1.00 1.00 H new ATOM 0 HB2 MET A 124 3.625 -14.793 -1.321 1.00 1.00 H new ATOM 0 HB3 MET A 124 1.893 -14.976 -1.518 1.00 1.00 H new ATOM 0 HG2 MET A 124 1.757 -12.384 -1.366 1.00 1.00 H new ATOM 0 HG3 MET A 124 3.499 -12.386 -1.552 1.00 1.00 H new ATOM 0 HE1 MET A 124 0.264 -13.478 -4.525 1.00 1.00 H new ATOM 0 HE2 MET A 124 0.151 -13.214 -2.769 1.00 1.00 H new ATOM 0 HE3 MET A 124 0.437 -11.837 -3.859 1.00 1.00 H new ATOM 757 N ASN A 125 0.960 -12.444 1.027 1.00 1.00 N ATOM 758 CA ASN A 125 -0.327 -11.848 1.341 1.00 1.00 C ATOM 759 C ASN A 125 -0.437 -10.487 0.652 1.00 1.00 C ATOM 760 O ASN A 125 -0.023 -9.471 1.207 1.00 1.00 O ATOM 761 CB ASN A 125 -0.479 -11.628 2.848 1.00 1.00 C ATOM 762 CG ASN A 125 -0.442 -12.958 3.603 1.00 1.00 C ATOM 763 OD1 ASN A 125 -1.233 -13.857 3.368 1.00 1.00 O ATOM 764 ND2 ASN A 125 0.517 -13.033 4.522 1.00 1.00 N ATOM 0 H ASN A 125 1.750 -11.800 1.067 1.00 1.00 H new ATOM 0 HA ASN A 125 -1.106 -12.527 0.995 1.00 1.00 H new ATOM 0 HB2 ASN A 125 0.320 -10.980 3.207 1.00 1.00 H new ATOM 0 HB3 ASN A 125 -1.420 -11.116 3.051 1.00 1.00 H new ATOM 0 HD21 ASN A 125 0.623 -13.880 5.080 1.00 1.00 H new ATOM 0 HD22 ASN A 125 1.146 -12.244 4.668 1.00 1.00 H new ATOM 770 N GLN A 126 -0.998 -10.512 -0.548 1.00 1.00 N ATOM 771 CA GLN A 126 -1.167 -9.292 -1.320 1.00 1.00 C ATOM 772 C GLN A 126 -2.157 -8.357 -0.625 1.00 1.00 C ATOM 773 O GLN A 126 -3.143 -8.810 -0.045 1.00 1.00 O ATOM 774 CB GLN A 126 -1.620 -9.605 -2.748 1.00 1.00 C ATOM 775 CG GLN A 126 -2.216 -8.366 -3.418 1.00 1.00 C ATOM 776 CD GLN A 126 -2.713 -8.691 -4.829 1.00 1.00 C ATOM 777 OE1 GLN A 126 -2.019 -9.286 -5.637 1.00 1.00 O ATOM 778 NE2 GLN A 126 -3.948 -8.268 -5.078 1.00 1.00 N ATOM 0 H GLN A 126 -1.341 -11.357 -1.005 1.00 1.00 H new ATOM 0 HA GLN A 126 -0.202 -8.788 -1.381 1.00 1.00 H new ATOM 0 HB2 GLN A 126 -0.773 -9.966 -3.331 1.00 1.00 H new ATOM 0 HB3 GLN A 126 -2.360 -10.405 -2.731 1.00 1.00 H new ATOM 0 HG2 GLN A 126 -3.041 -7.985 -2.817 1.00 1.00 H new ATOM 0 HG3 GLN A 126 -1.465 -7.577 -3.466 1.00 1.00 H new ATOM 0 HE21 GLN A 126 -4.474 -7.776 -4.356 1.00 1.00 H new ATOM 0 HE22 GLN A 126 -4.370 -8.436 -5.991 1.00 1.00 H new ATOM 785 N ILE A 127 -1.860 -7.068 -0.704 1.00 1.00 N ATOM 786 CA ILE A 127 -2.711 -6.064 -0.088 1.00 1.00 C ATOM 787 C ILE A 127 -3.544 -5.374 -1.170 1.00 1.00 C ATOM 788 O ILE A 127 -2.999 -4.707 -2.047 1.00 1.00 O ATOM 789 CB ILE A 127 -1.878 -5.097 0.756 1.00 1.00 C ATOM 790 CG1 ILE A 127 -0.875 -5.856 1.627 1.00 1.00 C ATOM 791 CG2 ILE A 127 -2.776 -4.177 1.584 1.00 1.00 C ATOM 792 CD1 ILE A 127 -1.582 -6.574 2.778 1.00 1.00 C ATOM 0 H ILE A 127 -1.041 -6.696 -1.186 1.00 1.00 H new ATOM 0 HA ILE A 127 -3.411 -6.532 0.604 1.00 1.00 H new ATOM 0 HB ILE A 127 -1.304 -4.462 0.081 1.00 1.00 H new ATOM 0 HG12 ILE A 127 -0.335 -6.581 1.018 1.00 1.00 H new ATOM 0 HG13 ILE A 127 -0.136 -5.161 2.026 1.00 1.00 H new ATOM 0 HG21 ILE A 127 -2.158 -3.500 2.174 1.00 1.00 H new ATOM 0 HG22 ILE A 127 -3.415 -3.597 0.918 1.00 1.00 H new ATOM 0 HG23 ILE A 127 -3.396 -4.777 2.251 1.00 1.00 H new ATOM 0 HD11 ILE A 127 -0.846 -7.106 3.382 1.00 1.00 H new ATOM 0 HD12 ILE A 127 -2.101 -5.843 3.399 1.00 1.00 H new ATOM 0 HD13 ILE A 127 -2.303 -7.285 2.375 1.00 1.00 H new ATOM 803 N GLU A 128 -4.852 -5.560 -1.073 1.00 1.00 N ATOM 804 CA GLU A 128 -5.766 -4.963 -2.034 1.00 1.00 C ATOM 805 C GLU A 128 -6.343 -3.659 -1.478 1.00 1.00 C ATOM 806 O GLU A 128 -6.903 -3.641 -0.383 1.00 1.00 O ATOM 807 CB GLU A 128 -6.882 -5.940 -2.409 1.00 1.00 C ATOM 808 CG GLU A 128 -8.046 -5.849 -1.421 1.00 1.00 C ATOM 809 CD GLU A 128 -7.602 -6.247 -0.011 1.00 1.00 C ATOM 810 OE1 GLU A 128 -6.948 -7.285 0.162 1.00 1.00 O ATOM 811 OE2 GLU A 128 -7.960 -5.433 0.923 1.00 1.00 O ATOM 0 H GLU A 128 -5.301 -6.115 -0.345 1.00 1.00 H new ATOM 0 HA GLU A 128 -5.209 -4.733 -2.942 1.00 1.00 H new ATOM 0 HB2 GLU A 128 -7.237 -5.722 -3.416 1.00 1.00 H new ATOM 0 HB3 GLU A 128 -6.490 -6.957 -2.422 1.00 1.00 H new ATOM 0 HG2 GLU A 128 -8.439 -4.832 -1.409 1.00 1.00 H new ATOM 0 HG3 GLU A 128 -8.857 -6.500 -1.748 1.00 1.00 H new ATOM 817 N ALA A 129 -6.187 -2.600 -2.259 1.00 1.00 N ATOM 818 CA ALA A 129 -6.685 -1.295 -1.859 1.00 1.00 C ATOM 819 C ALA A 129 -8.088 -1.450 -1.270 1.00 1.00 C ATOM 820 O ALA A 129 -8.937 -2.128 -1.847 1.00 1.00 O ATOM 821 CB ALA A 129 -6.658 -0.348 -3.061 1.00 1.00 C ATOM 0 H ALA A 129 -5.723 -2.619 -3.167 1.00 1.00 H new ATOM 0 HA ALA A 129 -6.049 -0.860 -1.088 1.00 1.00 H new ATOM 0 HB1 ALA A 129 -7.032 0.631 -2.761 1.00 1.00 H new ATOM 0 HB2 ALA A 129 -5.635 -0.250 -3.424 1.00 1.00 H new ATOM 0 HB3 ALA A 129 -7.288 -0.749 -3.855 1.00 1.00 H new ATOM 827 N ASP A 130 -8.290 -0.807 -0.129 1.00 1.00 N ATOM 828 CA ASP A 130 -9.576 -0.864 0.545 1.00 1.00 C ATOM 829 C ASP A 130 -10.199 0.533 0.564 1.00 1.00 C ATOM 830 O ASP A 130 -11.144 0.786 1.310 1.00 1.00 O ATOM 831 CB ASP A 130 -9.419 -1.330 1.994 1.00 1.00 C ATOM 832 CG ASP A 130 -10.707 -1.817 2.661 1.00 1.00 C ATOM 833 OD1 ASP A 130 -11.775 -1.205 2.508 1.00 1.00 O ATOM 834 OD2 ASP A 130 -10.583 -2.886 3.371 1.00 1.00 O ATOM 0 H ASP A 130 -7.584 -0.244 0.346 1.00 1.00 H new ATOM 0 HA ASP A 130 -10.208 -1.569 0.005 1.00 1.00 H new ATOM 0 HB2 ASP A 130 -8.686 -2.136 2.023 1.00 1.00 H new ATOM 0 HB3 ASP A 130 -9.012 -0.507 2.582 1.00 1.00 H new ATOM 839 N LYS A 131 -9.646 1.404 -0.266 1.00 1.00 N ATOM 840 CA LYS A 131 -10.135 2.769 -0.356 1.00 1.00 C ATOM 841 C LYS A 131 -9.486 3.463 -1.555 1.00 1.00 C ATOM 842 O LYS A 131 -8.439 4.094 -1.420 1.00 1.00 O ATOM 843 CB LYS A 131 -9.920 3.503 0.970 1.00 1.00 C ATOM 844 CG LYS A 131 -10.825 4.732 1.070 1.00 1.00 C ATOM 845 CD LYS A 131 -10.024 6.021 0.882 1.00 1.00 C ATOM 846 CE LYS A 131 -10.924 7.251 1.016 1.00 1.00 C ATOM 847 NZ LYS A 131 -11.346 7.434 2.422 1.00 1.00 N ATOM 0 H LYS A 131 -8.863 1.191 -0.883 1.00 1.00 H new ATOM 0 HA LYS A 131 -11.211 2.777 -0.528 1.00 1.00 H new ATOM 0 HB2 LYS A 131 -10.125 2.828 1.801 1.00 1.00 H new ATOM 0 HB3 LYS A 131 -8.877 3.807 1.056 1.00 1.00 H new ATOM 0 HG2 LYS A 131 -11.608 4.673 0.314 1.00 1.00 H new ATOM 0 HG3 LYS A 131 -11.319 4.746 2.041 1.00 1.00 H new ATOM 0 HD2 LYS A 131 -9.225 6.068 1.622 1.00 1.00 H new ATOM 0 HD3 LYS A 131 -9.549 6.019 -0.099 1.00 1.00 H new ATOM 0 HE2 LYS A 131 -10.392 8.138 0.672 1.00 1.00 H new ATOM 0 HE3 LYS A 131 -11.801 7.138 0.379 1.00 1.00 H new ATOM 0 HZ1 LYS A 131 -11.781 8.372 2.535 1.00 1.00 H new ATOM 0 HZ2 LYS A 131 -12.037 6.699 2.676 1.00 1.00 H new ATOM 0 HZ3 LYS A 131 -10.517 7.360 3.046 1.00 1.00 H new ATOM 856 N SER A 132 -10.135 3.322 -2.701 1.00 1.00 N ATOM 857 CA SER A 132 -9.634 3.927 -3.923 1.00 1.00 C ATOM 858 C SER A 132 -9.065 5.316 -3.625 1.00 1.00 C ATOM 859 O SER A 132 -9.644 6.074 -2.848 1.00 1.00 O ATOM 860 CB SER A 132 -10.735 4.022 -4.983 1.00 1.00 C ATOM 861 OG SER A 132 -11.704 5.016 -4.659 1.00 1.00 O ATOM 0 H SER A 132 -11.003 2.798 -2.809 1.00 1.00 H new ATOM 0 HA SER A 132 -8.840 3.292 -4.317 1.00 1.00 H new ATOM 0 HB2 SER A 132 -10.288 4.253 -5.950 1.00 1.00 H new ATOM 0 HB3 SER A 132 -11.227 3.055 -5.082 1.00 1.00 H new ATOM 0 HG SER A 132 -12.388 5.047 -5.360 1.00 1.00 H new ATOM 866 N GLY A 133 -7.938 5.608 -4.258 1.00 1.00 N ATOM 867 CA GLY A 133 -7.285 6.891 -4.070 1.00 1.00 C ATOM 868 C GLY A 133 -6.027 6.998 -4.934 1.00 1.00 C ATOM 869 O GLY A 133 -5.757 6.122 -5.755 1.00 1.00 O ATOM 0 H GLY A 133 -7.461 4.977 -4.902 1.00 1.00 H new ATOM 0 HA2 GLY A 133 -7.975 7.695 -4.325 1.00 1.00 H new ATOM 0 HA3 GLY A 133 -7.021 7.018 -3.020 1.00 1.00 H new ATOM 873 N THR A 134 -5.289 8.077 -4.719 1.00 1.00 N ATOM 874 CA THR A 134 -4.066 8.309 -5.467 1.00 1.00 C ATOM 875 C THR A 134 -2.847 8.186 -4.550 1.00 1.00 C ATOM 876 O THR A 134 -2.989 8.123 -3.329 1.00 1.00 O ATOM 877 CB THR A 134 -4.180 9.675 -6.146 1.00 1.00 C ATOM 878 OG1 THR A 134 -5.078 9.451 -7.230 1.00 1.00 O ATOM 879 CG2 THR A 134 -2.876 10.101 -6.826 1.00 1.00 C ATOM 0 H THR A 134 -5.515 8.801 -4.037 1.00 1.00 H new ATOM 0 HA THR A 134 -3.927 7.555 -6.242 1.00 1.00 H new ATOM 0 HB THR A 134 -4.467 10.424 -5.408 1.00 1.00 H new ATOM 0 HG1 THR A 134 -5.210 10.287 -7.724 1.00 1.00 H new ATOM 0 HG21 THR A 134 -3.011 11.077 -7.292 1.00 1.00 H new ATOM 0 HG22 THR A 134 -2.081 10.161 -6.083 1.00 1.00 H new ATOM 0 HG23 THR A 134 -2.607 9.369 -7.587 1.00 1.00 H new ATOM 887 N VAL A 135 -1.679 8.155 -5.172 1.00 1.00 N ATOM 888 CA VAL A 135 -0.437 8.041 -4.428 1.00 1.00 C ATOM 889 C VAL A 135 -0.260 9.279 -3.546 1.00 1.00 C ATOM 890 O VAL A 135 -0.589 10.390 -3.957 1.00 1.00 O ATOM 891 CB VAL A 135 0.733 7.821 -5.390 1.00 1.00 C ATOM 892 CG1 VAL A 135 1.031 9.091 -6.189 1.00 1.00 C ATOM 893 CG2 VAL A 135 1.977 7.340 -4.640 1.00 1.00 C ATOM 0 H VAL A 135 -1.566 8.207 -6.184 1.00 1.00 H new ATOM 0 HA VAL A 135 -0.466 7.173 -3.769 1.00 1.00 H new ATOM 0 HB VAL A 135 0.445 7.041 -6.095 1.00 1.00 H new ATOM 0 HG11 VAL A 135 1.866 8.908 -6.865 1.00 1.00 H new ATOM 0 HG12 VAL A 135 0.151 9.372 -6.767 1.00 1.00 H new ATOM 0 HG13 VAL A 135 1.288 9.899 -5.505 1.00 1.00 H new ATOM 0 HG21 VAL A 135 2.793 7.191 -5.347 1.00 1.00 H new ATOM 0 HG22 VAL A 135 2.268 8.087 -3.901 1.00 1.00 H new ATOM 0 HG23 VAL A 135 1.757 6.398 -4.137 1.00 1.00 H new ATOM 903 N LYS A 136 0.259 9.045 -2.349 1.00 1.00 N ATOM 904 CA LYS A 136 0.484 10.126 -1.406 1.00 1.00 C ATOM 905 C LYS A 136 1.965 10.168 -1.026 1.00 1.00 C ATOM 906 O LYS A 136 2.571 11.238 -0.994 1.00 1.00 O ATOM 907 CB LYS A 136 -0.455 9.993 -0.205 1.00 1.00 C ATOM 908 CG LYS A 136 -0.997 11.359 0.223 1.00 1.00 C ATOM 909 CD LYS A 136 -2.228 11.742 -0.599 1.00 1.00 C ATOM 910 CE LYS A 136 -1.884 12.814 -1.636 1.00 1.00 C ATOM 911 NZ LYS A 136 -2.213 14.161 -1.117 1.00 1.00 N ATOM 0 H LYS A 136 0.530 8.122 -2.011 1.00 1.00 H new ATOM 0 HA LYS A 136 0.246 11.086 -1.864 1.00 1.00 H new ATOM 0 HB2 LYS A 136 -1.284 9.332 -0.459 1.00 1.00 H new ATOM 0 HB3 LYS A 136 0.077 9.532 0.627 1.00 1.00 H new ATOM 0 HG2 LYS A 136 -1.255 11.336 1.282 1.00 1.00 H new ATOM 0 HG3 LYS A 136 -0.223 12.116 0.100 1.00 1.00 H new ATOM 0 HD2 LYS A 136 -2.623 10.859 -1.101 1.00 1.00 H new ATOM 0 HD3 LYS A 136 -3.012 12.110 0.063 1.00 1.00 H new ATOM 0 HE2 LYS A 136 -0.824 12.762 -1.884 1.00 1.00 H new ATOM 0 HE3 LYS A 136 -2.436 12.628 -2.557 1.00 1.00 H new ATOM 0 HZ1 LYS A 136 -3.079 14.508 -1.576 1.00 1.00 H new ATOM 0 HZ2 LYS A 136 -2.362 14.110 -0.089 1.00 1.00 H new ATOM 0 HZ3 LYS A 136 -1.429 14.813 -1.321 1.00 1.00 H new ATOM 920 N ALA A 137 2.505 8.990 -0.749 1.00 1.00 N ATOM 921 CA ALA A 137 3.905 8.879 -0.374 1.00 1.00 C ATOM 922 C ALA A 137 4.148 7.512 0.268 1.00 1.00 C ATOM 923 O ALA A 137 3.386 7.084 1.134 1.00 1.00 O ATOM 924 CB ALA A 137 4.278 10.035 0.555 1.00 1.00 C ATOM 0 H ALA A 137 1.999 8.105 -0.777 1.00 1.00 H new ATOM 0 HA ALA A 137 4.545 8.949 -1.253 1.00 1.00 H new ATOM 0 HB1 ALA A 137 5.328 9.952 0.836 1.00 1.00 H new ATOM 0 HB2 ALA A 137 4.114 10.982 0.041 1.00 1.00 H new ATOM 0 HB3 ALA A 137 3.658 9.996 1.451 1.00 1.00 H new ATOM 930 N ILE A 138 5.212 6.864 -0.181 1.00 1.00 N ATOM 931 CA ILE A 138 5.567 5.554 0.339 1.00 1.00 C ATOM 932 C ILE A 138 6.684 5.706 1.373 1.00 1.00 C ATOM 933 O ILE A 138 7.669 6.403 1.131 1.00 1.00 O ATOM 934 CB ILE A 138 5.911 4.598 -0.804 1.00 1.00 C ATOM 935 CG1 ILE A 138 5.106 4.934 -2.061 1.00 1.00 C ATOM 936 CG2 ILE A 138 5.725 3.141 -0.376 1.00 1.00 C ATOM 937 CD1 ILE A 138 5.294 3.862 -3.136 1.00 1.00 C ATOM 0 H ILE A 138 5.841 7.222 -0.900 1.00 1.00 H new ATOM 0 HA ILE A 138 4.717 5.105 0.852 1.00 1.00 H new ATOM 0 HB ILE A 138 6.964 4.728 -1.052 1.00 1.00 H new ATOM 0 HG12 ILE A 138 4.049 5.019 -1.808 1.00 1.00 H new ATOM 0 HG13 ILE A 138 5.420 5.903 -2.450 1.00 1.00 H new ATOM 0 HG21 ILE A 138 5.976 2.483 -1.208 1.00 1.00 H new ATOM 0 HG22 ILE A 138 6.378 2.924 0.469 1.00 1.00 H new ATOM 0 HG23 ILE A 138 4.688 2.977 -0.084 1.00 1.00 H new ATOM 0 HD11 ILE A 138 4.711 4.126 -4.018 1.00 1.00 H new ATOM 0 HD12 ILE A 138 6.349 3.796 -3.404 1.00 1.00 H new ATOM 0 HD13 ILE A 138 4.957 2.899 -2.753 1.00 1.00 H new ATOM 948 N LEU A 139 6.497 5.040 2.503 1.00 1.00 N ATOM 949 CA LEU A 139 7.478 5.092 3.574 1.00 1.00 C ATOM 950 C LEU A 139 8.225 3.759 3.640 1.00 1.00 C ATOM 951 O LEU A 139 9.448 3.736 3.769 1.00 1.00 O ATOM 952 CB LEU A 139 6.811 5.489 4.892 1.00 1.00 C ATOM 953 CG LEU A 139 5.397 6.064 4.783 1.00 1.00 C ATOM 954 CD1 LEU A 139 4.723 6.127 6.155 1.00 1.00 C ATOM 955 CD2 LEU A 139 5.411 7.427 4.088 1.00 1.00 C ATOM 0 H LEU A 139 5.681 4.461 2.700 1.00 1.00 H new ATOM 0 HA LEU A 139 8.221 5.864 3.374 1.00 1.00 H new ATOM 0 HB2 LEU A 139 6.776 4.611 5.537 1.00 1.00 H new ATOM 0 HB3 LEU A 139 7.443 6.225 5.389 1.00 1.00 H new ATOM 0 HG LEU A 139 4.803 5.393 4.163 1.00 1.00 H new ATOM 0 HD11 LEU A 139 3.720 6.539 6.049 1.00 1.00 H new ATOM 0 HD12 LEU A 139 4.660 5.124 6.576 1.00 1.00 H new ATOM 0 HD13 LEU A 139 5.308 6.763 6.819 1.00 1.00 H new ATOM 0 HD21 LEU A 139 4.394 7.813 4.024 1.00 1.00 H new ATOM 0 HD22 LEU A 139 6.027 8.121 4.660 1.00 1.00 H new ATOM 0 HD23 LEU A 139 5.822 7.319 3.084 1.00 1.00 H new ATOM 966 N VAL A 140 7.459 2.682 3.549 1.00 1.00 N ATOM 967 CA VAL A 140 8.034 1.348 3.596 1.00 1.00 C ATOM 968 C VAL A 140 8.812 1.087 2.306 1.00 1.00 C ATOM 969 O VAL A 140 8.413 1.539 1.233 1.00 1.00 O ATOM 970 CB VAL A 140 6.936 0.314 3.852 1.00 1.00 C ATOM 971 CG1 VAL A 140 5.942 0.271 2.690 1.00 1.00 C ATOM 972 CG2 VAL A 140 7.536 -1.069 4.113 1.00 1.00 C ATOM 0 H VAL A 140 6.445 2.706 3.443 1.00 1.00 H new ATOM 0 HA VAL A 140 8.739 1.265 4.423 1.00 1.00 H new ATOM 0 HB VAL A 140 6.392 0.617 4.747 1.00 1.00 H new ATOM 0 HG11 VAL A 140 5.172 -0.472 2.897 1.00 1.00 H new ATOM 0 HG12 VAL A 140 5.479 1.250 2.571 1.00 1.00 H new ATOM 0 HG13 VAL A 140 6.466 0.004 1.772 1.00 1.00 H new ATOM 0 HG21 VAL A 140 6.734 -1.786 4.292 1.00 1.00 H new ATOM 0 HG22 VAL A 140 8.117 -1.383 3.246 1.00 1.00 H new ATOM 0 HG23 VAL A 140 8.185 -1.025 4.988 1.00 1.00 H new ATOM 982 N GLU A 141 9.910 0.359 2.451 1.00 1.00 N ATOM 983 CA GLU A 141 10.747 0.032 1.310 1.00 1.00 C ATOM 984 C GLU A 141 10.522 -1.420 0.884 1.00 1.00 C ATOM 985 O GLU A 141 10.369 -2.302 1.727 1.00 1.00 O ATOM 986 CB GLU A 141 12.224 0.288 1.623 1.00 1.00 C ATOM 987 CG GLU A 141 12.880 1.125 0.522 1.00 1.00 C ATOM 988 CD GLU A 141 12.597 2.615 0.725 1.00 1.00 C ATOM 989 OE1 GLU A 141 13.308 3.282 1.492 1.00 1.00 O ATOM 990 OE2 GLU A 141 11.599 3.078 0.052 1.00 1.00 O ATOM 0 H GLU A 141 10.239 -0.013 3.342 1.00 1.00 H new ATOM 0 HA GLU A 141 10.466 0.681 0.481 1.00 1.00 H new ATOM 0 HB2 GLU A 141 12.313 0.804 2.579 1.00 1.00 H new ATOM 0 HB3 GLU A 141 12.748 -0.662 1.724 1.00 1.00 H new ATOM 0 HG2 GLU A 141 13.956 0.952 0.521 1.00 1.00 H new ATOM 0 HG3 GLU A 141 12.506 0.809 -0.452 1.00 1.00 H new ATOM 996 N SER A 142 10.505 -1.623 -0.426 1.00 1.00 N ATOM 997 CA SER A 142 10.299 -2.952 -0.975 1.00 1.00 C ATOM 998 C SER A 142 11.251 -3.947 -0.307 1.00 1.00 C ATOM 999 O SER A 142 12.382 -4.127 -0.757 1.00 1.00 O ATOM 1000 CB SER A 142 10.502 -2.960 -2.492 1.00 1.00 C ATOM 1001 OG SER A 142 11.883 -2.961 -2.845 1.00 1.00 O ATOM 0 H SER A 142 10.631 -0.889 -1.123 1.00 1.00 H new ATOM 0 HA SER A 142 9.270 -3.250 -0.772 1.00 1.00 H new ATOM 0 HB2 SER A 142 10.018 -3.839 -2.918 1.00 1.00 H new ATOM 0 HB3 SER A 142 10.017 -2.086 -2.927 1.00 1.00 H new ATOM 0 HG SER A 142 12.336 -3.703 -2.392 1.00 1.00 H new ATOM 1006 N GLY A 143 10.759 -4.566 0.755 1.00 1.00 N ATOM 1007 CA GLY A 143 11.551 -5.539 1.489 1.00 1.00 C ATOM 1008 C GLY A 143 11.489 -5.272 2.995 1.00 1.00 C ATOM 1009 O GLY A 143 11.689 -6.181 3.798 1.00 1.00 O ATOM 0 H GLY A 143 9.821 -4.413 1.126 1.00 1.00 H new ATOM 0 HA2 GLY A 143 11.185 -6.544 1.279 1.00 1.00 H new ATOM 0 HA3 GLY A 143 12.587 -5.500 1.151 1.00 1.00 H new ATOM 1013 N GLN A 144 11.210 -4.022 3.331 1.00 1.00 N ATOM 1014 CA GLN A 144 11.118 -3.624 4.726 1.00 1.00 C ATOM 1015 C GLN A 144 10.068 -4.469 5.450 1.00 1.00 C ATOM 1016 O GLN A 144 9.077 -4.881 4.850 1.00 1.00 O ATOM 1017 CB GLN A 144 10.804 -2.132 4.852 1.00 1.00 C ATOM 1018 CG GLN A 144 12.087 -1.299 4.846 1.00 1.00 C ATOM 1019 CD GLN A 144 12.260 -0.549 6.169 1.00 1.00 C ATOM 1020 OE1 GLN A 144 13.190 -0.779 6.925 1.00 1.00 O ATOM 1021 NE2 GLN A 144 11.315 0.356 6.405 1.00 1.00 N ATOM 0 H GLN A 144 11.044 -3.271 2.661 1.00 1.00 H new ATOM 0 HA GLN A 144 12.085 -3.798 5.198 1.00 1.00 H new ATOM 0 HB2 GLN A 144 10.161 -1.821 4.029 1.00 1.00 H new ATOM 0 HB3 GLN A 144 10.252 -1.950 5.774 1.00 1.00 H new ATOM 0 HG2 GLN A 144 12.946 -1.949 4.677 1.00 1.00 H new ATOM 0 HG3 GLN A 144 12.059 -0.587 4.021 1.00 1.00 H new ATOM 0 HE21 GLN A 144 10.564 0.498 5.729 1.00 1.00 H new ATOM 0 HE22 GLN A 144 11.341 0.909 7.262 1.00 1.00 H new ATOM 1028 N PRO A 145 10.327 -4.706 6.764 1.00 1.00 N ATOM 1029 CA PRO A 145 9.416 -5.493 7.577 1.00 1.00 C ATOM 1030 C PRO A 145 8.165 -4.688 7.933 1.00 1.00 C ATOM 1031 O PRO A 145 8.110 -3.482 7.698 1.00 1.00 O ATOM 1032 CB PRO A 145 10.228 -5.901 8.796 1.00 1.00 C ATOM 1033 CG PRO A 145 11.410 -4.946 8.847 1.00 1.00 C ATOM 1034 CD PRO A 145 11.491 -4.232 7.508 1.00 1.00 C ATOM 0 HA PRO A 145 9.039 -6.372 7.055 1.00 1.00 H new ATOM 0 HB2 PRO A 145 9.630 -5.832 9.705 1.00 1.00 H new ATOM 0 HB3 PRO A 145 10.564 -6.935 8.714 1.00 1.00 H new ATOM 0 HG2 PRO A 145 11.285 -4.227 9.656 1.00 1.00 H new ATOM 0 HG3 PRO A 145 12.333 -5.491 9.045 1.00 1.00 H new ATOM 0 HD2 PRO A 145 11.466 -3.150 7.634 1.00 1.00 H new ATOM 0 HD3 PRO A 145 12.418 -4.471 6.987 1.00 1.00 H new ATOM 1039 N VAL A 146 7.190 -5.388 8.496 1.00 1.00 N ATOM 1040 CA VAL A 146 5.943 -4.754 8.888 1.00 1.00 C ATOM 1041 C VAL A 146 5.501 -5.304 10.245 1.00 1.00 C ATOM 1042 O VAL A 146 5.925 -6.385 10.648 1.00 1.00 O ATOM 1043 CB VAL A 146 4.891 -4.946 7.792 1.00 1.00 C ATOM 1044 CG1 VAL A 146 5.504 -4.750 6.404 1.00 1.00 C ATOM 1045 CG2 VAL A 146 4.224 -6.319 7.908 1.00 1.00 C ATOM 0 H VAL A 146 7.239 -6.388 8.690 1.00 1.00 H new ATOM 0 HA VAL A 146 6.080 -3.679 9.003 1.00 1.00 H new ATOM 0 HB VAL A 146 4.121 -4.186 7.929 1.00 1.00 H new ATOM 0 HG11 VAL A 146 4.736 -4.892 5.644 1.00 1.00 H new ATOM 0 HG12 VAL A 146 5.911 -3.742 6.325 1.00 1.00 H new ATOM 0 HG13 VAL A 146 6.302 -5.476 6.253 1.00 1.00 H new ATOM 0 HG21 VAL A 146 3.481 -6.430 7.118 1.00 1.00 H new ATOM 0 HG22 VAL A 146 4.978 -7.100 7.809 1.00 1.00 H new ATOM 0 HG23 VAL A 146 3.737 -6.406 8.879 1.00 1.00 H new ATOM 1055 N GLU A 147 4.652 -4.535 10.911 1.00 1.00 N ATOM 1056 CA GLU A 147 4.147 -4.931 12.214 1.00 1.00 C ATOM 1057 C GLU A 147 2.657 -4.606 12.328 1.00 1.00 C ATOM 1058 O GLU A 147 2.087 -3.970 11.442 1.00 1.00 O ATOM 1059 CB GLU A 147 4.942 -4.261 13.337 1.00 1.00 C ATOM 1060 CG GLU A 147 5.266 -5.259 14.451 1.00 1.00 C ATOM 1061 CD GLU A 147 6.106 -4.604 15.548 1.00 1.00 C ATOM 1062 OE1 GLU A 147 5.685 -3.593 16.130 1.00 1.00 O ATOM 1063 OE2 GLU A 147 7.234 -5.181 15.790 1.00 1.00 O ATOM 0 H GLU A 147 4.301 -3.639 10.572 1.00 1.00 H new ATOM 0 HA GLU A 147 4.272 -6.009 12.318 1.00 1.00 H new ATOM 0 HB2 GLU A 147 5.867 -3.846 12.935 1.00 1.00 H new ATOM 0 HB3 GLU A 147 4.370 -3.428 13.745 1.00 1.00 H new ATOM 0 HG2 GLU A 147 4.341 -5.645 14.879 1.00 1.00 H new ATOM 0 HG3 GLU A 147 5.805 -6.111 14.036 1.00 1.00 H new ATOM 1069 N PHE A 148 2.067 -5.057 13.425 1.00 1.00 N ATOM 1070 CA PHE A 148 0.654 -4.822 13.666 1.00 1.00 C ATOM 1071 C PHE A 148 0.383 -3.341 13.943 1.00 1.00 C ATOM 1072 O PHE A 148 0.837 -2.803 14.952 1.00 1.00 O ATOM 1073 CB PHE A 148 0.268 -5.639 14.901 1.00 1.00 C ATOM 1074 CG PHE A 148 -1.229 -5.935 15.007 1.00 1.00 C ATOM 1075 CD1 PHE A 148 -2.058 -5.044 15.615 1.00 1.00 C ATOM 1076 CD2 PHE A 148 -1.731 -7.091 14.496 1.00 1.00 C ATOM 1077 CE1 PHE A 148 -3.447 -5.319 15.714 1.00 1.00 C ATOM 1078 CE2 PHE A 148 -3.121 -7.367 14.596 1.00 1.00 C ATOM 1079 CZ PHE A 148 -3.950 -6.475 15.203 1.00 1.00 C ATOM 0 H PHE A 148 2.542 -5.584 14.157 1.00 1.00 H new ATOM 0 HA PHE A 148 0.074 -5.112 12.789 1.00 1.00 H new ATOM 0 HB2 PHE A 148 0.814 -6.582 14.886 1.00 1.00 H new ATOM 0 HB3 PHE A 148 0.586 -5.101 15.794 1.00 1.00 H new ATOM 0 HD1 PHE A 148 -1.659 -4.127 16.023 1.00 1.00 H new ATOM 0 HD2 PHE A 148 -1.073 -7.799 14.014 1.00 1.00 H new ATOM 0 HE1 PHE A 148 -4.105 -4.610 16.195 1.00 1.00 H new ATOM 0 HE2 PHE A 148 -3.520 -8.285 14.190 1.00 1.00 H new ATOM 0 HZ PHE A 148 -5.007 -6.685 15.279 1.00 1.00 H new ATOM 1088 N ASP A 149 -0.353 -2.726 13.030 1.00 1.00 N ATOM 1089 CA ASP A 149 -0.688 -1.318 13.164 1.00 1.00 C ATOM 1090 C ASP A 149 0.469 -0.470 12.634 1.00 1.00 C ATOM 1091 O ASP A 149 0.497 0.743 12.836 1.00 1.00 O ATOM 1092 CB ASP A 149 -0.917 -0.944 14.630 1.00 1.00 C ATOM 1093 CG ASP A 149 0.246 -0.209 15.298 1.00 1.00 C ATOM 1094 OD1 ASP A 149 1.422 -0.499 15.032 1.00 1.00 O ATOM 1095 OD2 ASP A 149 -0.098 0.708 16.137 1.00 1.00 O ATOM 0 H ASP A 149 -0.727 -3.176 12.195 1.00 1.00 H new ATOM 0 HA ASP A 149 -1.601 -1.133 12.598 1.00 1.00 H new ATOM 0 HB2 ASP A 149 -1.808 -0.319 14.695 1.00 1.00 H new ATOM 0 HB3 ASP A 149 -1.124 -1.854 15.194 1.00 1.00 H new ATOM 1100 N GLU A 150 1.396 -1.142 11.968 1.00 1.00 N ATOM 1101 CA GLU A 150 2.554 -0.464 11.407 1.00 1.00 C ATOM 1102 C GLU A 150 2.192 0.189 10.072 1.00 1.00 C ATOM 1103 O GLU A 150 1.378 -0.342 9.318 1.00 1.00 O ATOM 1104 CB GLU A 150 3.729 -1.431 11.245 1.00 1.00 C ATOM 1105 CG GLU A 150 5.027 -0.805 11.757 1.00 1.00 C ATOM 1106 CD GLU A 150 6.012 -0.569 10.610 1.00 1.00 C ATOM 1107 OE1 GLU A 150 5.604 -0.534 9.440 1.00 1.00 O ATOM 1108 OE2 GLU A 150 7.242 -0.418 10.970 1.00 1.00 O ATOM 0 H GLU A 150 1.370 -2.148 11.804 1.00 1.00 H new ATOM 0 HA GLU A 150 2.863 0.319 12.099 1.00 1.00 H new ATOM 0 HB2 GLU A 150 3.525 -2.352 11.791 1.00 1.00 H new ATOM 0 HB3 GLU A 150 3.841 -1.701 10.195 1.00 1.00 H new ATOM 0 HG2 GLU A 150 4.808 0.140 12.253 1.00 1.00 H new ATOM 0 HG3 GLU A 150 5.481 -1.458 12.502 1.00 1.00 H new ATOM 1114 N PRO A 151 2.831 1.362 9.815 1.00 1.00 N ATOM 1115 CA PRO A 151 2.584 2.093 8.583 1.00 1.00 C ATOM 1116 C PRO A 151 3.273 1.417 7.396 1.00 1.00 C ATOM 1117 O PRO A 151 4.216 0.648 7.578 1.00 1.00 O ATOM 1118 CB PRO A 151 3.102 3.497 8.849 1.00 1.00 C ATOM 1119 CG PRO A 151 4.034 3.378 10.043 1.00 1.00 C ATOM 1120 CD PRO A 151 3.800 2.020 10.684 1.00 1.00 C ATOM 0 HA PRO A 151 1.528 2.116 8.312 1.00 1.00 H new ATOM 0 HB2 PRO A 151 3.629 3.890 7.980 1.00 1.00 H new ATOM 0 HB3 PRO A 151 2.281 4.182 9.061 1.00 1.00 H new ATOM 0 HG2 PRO A 151 5.073 3.477 9.728 1.00 1.00 H new ATOM 0 HG3 PRO A 151 3.841 4.177 10.759 1.00 1.00 H new ATOM 0 HD2 PRO A 151 4.726 1.448 10.749 1.00 1.00 H new ATOM 0 HD3 PRO A 151 3.416 2.122 11.699 1.00 1.00 H new ATOM 1125 N LEU A 152 2.776 1.727 6.208 1.00 1.00 N ATOM 1126 CA LEU A 152 3.331 1.159 4.992 1.00 1.00 C ATOM 1127 C LEU A 152 3.459 2.257 3.934 1.00 1.00 C ATOM 1128 O LEU A 152 4.542 2.803 3.728 1.00 1.00 O ATOM 1129 CB LEU A 152 2.503 -0.043 4.535 1.00 1.00 C ATOM 1130 CG LEU A 152 2.479 -1.242 5.484 1.00 1.00 C ATOM 1131 CD1 LEU A 152 1.610 -2.368 4.923 1.00 1.00 C ATOM 1132 CD2 LEU A 152 3.899 -1.717 5.801 1.00 1.00 C ATOM 0 H LEU A 152 1.994 2.365 6.062 1.00 1.00 H new ATOM 0 HA LEU A 152 4.334 0.774 5.175 1.00 1.00 H new ATOM 0 HB2 LEU A 152 1.477 0.288 4.374 1.00 1.00 H new ATOM 0 HB3 LEU A 152 2.885 -0.376 3.570 1.00 1.00 H new ATOM 0 HG LEU A 152 2.027 -0.925 6.424 1.00 1.00 H new ATOM 0 HD11 LEU A 152 1.610 -3.208 5.617 1.00 1.00 H new ATOM 0 HD12 LEU A 152 0.590 -2.008 4.789 1.00 1.00 H new ATOM 0 HD13 LEU A 152 2.010 -2.692 3.962 1.00 1.00 H new ATOM 0 HD21 LEU A 152 3.855 -2.570 6.478 1.00 1.00 H new ATOM 0 HD22 LEU A 152 4.399 -2.011 4.878 1.00 1.00 H new ATOM 0 HD23 LEU A 152 4.456 -0.908 6.273 1.00 1.00 H new ATOM 1143 N VAL A 153 2.338 2.547 3.291 1.00 1.00 N ATOM 1144 CA VAL A 153 2.312 3.570 2.258 1.00 1.00 C ATOM 1145 C VAL A 153 1.212 4.583 2.578 1.00 1.00 C ATOM 1146 O VAL A 153 0.241 4.256 3.261 1.00 1.00 O ATOM 1147 CB VAL A 153 2.145 2.920 0.883 1.00 1.00 C ATOM 1148 CG1 VAL A 153 2.303 3.955 -0.234 1.00 1.00 C ATOM 1149 CG2 VAL A 153 3.127 1.762 0.700 1.00 1.00 C ATOM 0 H VAL A 153 1.442 2.092 3.464 1.00 1.00 H new ATOM 0 HA VAL A 153 3.257 4.113 2.234 1.00 1.00 H new ATOM 0 HB VAL A 153 1.135 2.514 0.825 1.00 1.00 H new ATOM 0 HG11 VAL A 153 2.180 3.468 -1.201 1.00 1.00 H new ATOM 0 HG12 VAL A 153 1.547 4.732 -0.120 1.00 1.00 H new ATOM 0 HG13 VAL A 153 3.295 4.403 -0.177 1.00 1.00 H new ATOM 0 HG21 VAL A 153 2.987 1.318 -0.286 1.00 1.00 H new ATOM 0 HG22 VAL A 153 4.148 2.133 0.789 1.00 1.00 H new ATOM 0 HG23 VAL A 153 2.947 1.008 1.466 1.00 1.00 H new ATOM 1159 N VAL A 154 1.399 5.792 2.072 1.00 1.00 N ATOM 1160 CA VAL A 154 0.434 6.856 2.296 1.00 1.00 C ATOM 1161 C VAL A 154 -0.328 7.129 0.998 1.00 1.00 C ATOM 1162 O VAL A 154 0.275 7.443 -0.027 1.00 1.00 O ATOM 1163 CB VAL A 154 1.141 8.096 2.846 1.00 1.00 C ATOM 1164 CG1 VAL A 154 0.146 9.237 3.075 1.00 1.00 C ATOM 1165 CG2 VAL A 154 1.905 7.768 4.130 1.00 1.00 C ATOM 0 H VAL A 154 2.205 6.060 1.507 1.00 1.00 H new ATOM 0 HA VAL A 154 -0.298 6.556 3.046 1.00 1.00 H new ATOM 0 HB VAL A 154 1.865 8.427 2.102 1.00 1.00 H new ATOM 0 HG11 VAL A 154 0.674 10.107 3.466 1.00 1.00 H new ATOM 0 HG12 VAL A 154 -0.333 9.497 2.131 1.00 1.00 H new ATOM 0 HG13 VAL A 154 -0.612 8.920 3.791 1.00 1.00 H new ATOM 0 HG21 VAL A 154 2.398 8.667 4.500 1.00 1.00 H new ATOM 0 HG22 VAL A 154 1.209 7.400 4.884 1.00 1.00 H new ATOM 0 HG23 VAL A 154 2.653 7.003 3.923 1.00 1.00 H new ATOM 1175 N ILE A 155 -1.645 6.998 1.083 1.00 1.00 N ATOM 1176 CA ILE A 155 -2.496 7.227 -0.072 1.00 1.00 C ATOM 1177 C ILE A 155 -3.406 8.426 0.200 1.00 1.00 C ATOM 1178 O ILE A 155 -3.562 8.844 1.345 1.00 1.00 O ATOM 1179 CB ILE A 155 -3.255 5.949 -0.440 1.00 1.00 C ATOM 1180 CG1 ILE A 155 -2.346 4.967 -1.182 1.00 1.00 C ATOM 1181 CG2 ILE A 155 -4.521 6.273 -1.235 1.00 1.00 C ATOM 1182 CD1 ILE A 155 -1.834 3.875 -0.241 1.00 1.00 C ATOM 0 H ILE A 155 -2.143 6.736 1.934 1.00 1.00 H new ATOM 0 HA ILE A 155 -1.894 7.476 -0.946 1.00 1.00 H new ATOM 0 HB ILE A 155 -3.571 5.461 0.482 1.00 1.00 H new ATOM 0 HG12 ILE A 155 -2.893 4.513 -2.008 1.00 1.00 H new ATOM 0 HG13 ILE A 155 -1.502 5.504 -1.615 1.00 1.00 H new ATOM 0 HG21 ILE A 155 -5.041 5.348 -1.484 1.00 1.00 H new ATOM 0 HG22 ILE A 155 -5.175 6.907 -0.636 1.00 1.00 H new ATOM 0 HG23 ILE A 155 -4.251 6.795 -2.153 1.00 1.00 H new ATOM 0 HD11 ILE A 155 -1.190 3.191 -0.794 1.00 1.00 H new ATOM 0 HD12 ILE A 155 -1.267 4.331 0.571 1.00 1.00 H new ATOM 0 HD13 ILE A 155 -2.679 3.324 0.172 1.00 1.00 H new ATOM 1193 N GLU A 156 -3.982 8.945 -0.874 1.00 1.00 N ATOM 1194 CA GLU A 156 -4.873 10.089 -0.766 1.00 1.00 C ATOM 1195 C GLU A 156 -6.275 9.632 -0.356 1.00 1.00 C ATOM 1196 O GLU A 156 -7.271 10.138 -0.871 1.00 1.00 O ATOM 1197 CB GLU A 156 -4.914 10.877 -2.076 1.00 1.00 C ATOM 1198 CG GLU A 156 -5.222 12.354 -1.818 1.00 1.00 C ATOM 1199 CD GLU A 156 -5.082 13.175 -3.101 1.00 1.00 C ATOM 1200 OE1 GLU A 156 -5.501 12.722 -4.176 1.00 1.00 O ATOM 1201 OE2 GLU A 156 -4.517 14.325 -2.954 1.00 1.00 O ATOM 0 H GLU A 156 -3.850 8.595 -1.823 1.00 1.00 H new ATOM 0 HA GLU A 156 -4.488 10.754 0.007 1.00 1.00 H new ATOM 0 HB2 GLU A 156 -3.957 10.786 -2.590 1.00 1.00 H new ATOM 0 HB3 GLU A 156 -5.671 10.454 -2.736 1.00 1.00 H new ATOM 0 HG2 GLU A 156 -6.234 12.455 -1.426 1.00 1.00 H new ATOM 0 HG3 GLU A 156 -4.545 12.743 -1.057 1.00 1.00 H new