USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=14 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 123 MET CE :methyl -122:sc= -0.907 (180deg=-1.74!) USER MOD Set 1.2: A 124 MET CE :methyl -161:sc= -0.0354 (180deg=-0.49) USER MOD Single : A 81 HIS : no HD1:sc= -8.79! C(o=-8.8!,f=-8.7!) USER MOD Single : A 85 SER OG : rot -60:sc= -4.25! USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot 171:sc= 0.158 USER MOD Single : A 94 THR OG1 : rot 115:sc= 0.693 USER MOD Single : A 96 SER OG : rot 180:sc= -1.12 USER MOD Single : A 100 LYS NZ :NH3+ -143:sc= -0.265 (180deg=-1.34) 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= 0.019 K(o=0.019,f=-3.9!) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 CYS SG : rot 142:sc= -4.98! USER MOD Single : A 121 MET CE :methyl 151:sc= 0 (180deg=-0.00717) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 ASN : amide:sc= -0.368 X(o=-0.37,f=-0.044) USER MOD Single : A 126 GLN : amide:sc= -0.132 K(o=-0.13,f=-2!) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 SER OG : rot 180:sc= 0 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= -1.01 K(o=-1,f=-3!) USER MOD ----------------------------------------------------------------- ATOM 130 N HIS A 81 -5.571 7.804 2.546 1.00 1.00 N ATOM 131 CA HIS A 81 -5.638 6.644 3.418 1.00 1.00 C ATOM 132 C HIS A 81 -4.226 6.259 3.867 1.00 1.00 C ATOM 133 O HIS A 81 -3.240 6.736 3.308 1.00 1.00 O ATOM 134 CB HIS A 81 -6.377 5.492 2.735 1.00 1.00 C ATOM 135 CG HIS A 81 -7.562 5.929 1.907 1.00 1.00 C ATOM 136 ND1 HIS A 81 -8.581 6.717 2.412 1.00 1.00 N ATOM 137 CD2 HIS A 81 -7.878 5.681 0.603 1.00 1.00 C ATOM 138 CE1 HIS A 81 -9.466 6.926 1.449 1.00 1.00 C ATOM 139 NE2 HIS A 81 -9.028 6.284 0.328 1.00 1.00 N ATOM 0 HA HIS A 81 -6.213 6.888 4.311 1.00 1.00 H new ATOM 0 HB2 HIS A 81 -5.678 4.954 2.095 1.00 1.00 H new ATOM 0 HB3 HIS A 81 -6.717 4.790 3.496 1.00 1.00 H new ATOM 0 HD2 HIS A 81 -7.292 5.094 -0.088 1.00 1.00 H new ATOM 0 HE1 HIS A 81 -10.375 7.503 1.536 1.00 1.00 H new ATOM 0 HE2 HIS A 81 -9.506 6.270 -0.573 1.00 1.00 H new ATOM 146 N ILE A 82 -4.175 5.399 4.874 1.00 1.00 N ATOM 147 CA ILE A 82 -2.901 4.944 5.405 1.00 1.00 C ATOM 148 C ILE A 82 -2.927 3.420 5.544 1.00 1.00 C ATOM 149 O ILE A 82 -3.732 2.876 6.299 1.00 1.00 O ATOM 150 CB ILE A 82 -2.573 5.675 6.709 1.00 1.00 C ATOM 151 CG1 ILE A 82 -2.686 7.191 6.530 1.00 1.00 C ATOM 152 CG2 ILE A 82 -1.197 5.261 7.237 1.00 1.00 C ATOM 153 CD1 ILE A 82 -1.375 7.782 6.009 1.00 1.00 C ATOM 0 H ILE A 82 -4.995 5.006 5.336 1.00 1.00 H new ATOM 0 HA ILE A 82 -2.092 5.188 4.717 1.00 1.00 H new ATOM 0 HB ILE A 82 -3.308 5.384 7.460 1.00 1.00 H new ATOM 0 HG12 ILE A 82 -3.493 7.419 5.834 1.00 1.00 H new ATOM 0 HG13 ILE A 82 -2.945 7.655 7.482 1.00 1.00 H new ATOM 0 HG21 ILE A 82 -0.988 5.794 8.164 1.00 1.00 H new ATOM 0 HG22 ILE A 82 -1.188 4.188 7.426 1.00 1.00 H new ATOM 0 HG23 ILE A 82 -0.435 5.506 6.497 1.00 1.00 H new ATOM 0 HD11 ILE A 82 -1.483 8.860 5.891 1.00 1.00 H new ATOM 0 HD12 ILE A 82 -0.574 7.573 6.719 1.00 1.00 H new ATOM 0 HD13 ILE A 82 -1.132 7.334 5.045 1.00 1.00 H new ATOM 164 N VAL A 83 -2.036 2.776 4.804 1.00 1.00 N ATOM 165 CA VAL A 83 -1.947 1.326 4.836 1.00 1.00 C ATOM 166 C VAL A 83 -1.017 0.901 5.975 1.00 1.00 C ATOM 167 O VAL A 83 0.173 1.215 5.958 1.00 1.00 O ATOM 168 CB VAL A 83 -1.500 0.799 3.471 1.00 1.00 C ATOM 169 CG1 VAL A 83 -1.324 -0.720 3.500 1.00 1.00 C ATOM 170 CG2 VAL A 83 -2.482 1.218 2.374 1.00 1.00 C ATOM 0 H VAL A 83 -1.370 3.231 4.179 1.00 1.00 H new ATOM 0 HA VAL A 83 -2.925 0.888 5.034 1.00 1.00 H new ATOM 0 HB VAL A 83 -0.531 1.243 3.241 1.00 1.00 H new ATOM 0 HG11 VAL A 83 -1.006 -1.068 2.517 1.00 1.00 H new ATOM 0 HG12 VAL A 83 -0.569 -0.985 4.241 1.00 1.00 H new ATOM 0 HG13 VAL A 83 -2.271 -1.191 3.763 1.00 1.00 H new ATOM 0 HG21 VAL A 83 -2.141 0.831 1.414 1.00 1.00 H new ATOM 0 HG22 VAL A 83 -3.470 0.816 2.597 1.00 1.00 H new ATOM 0 HG23 VAL A 83 -2.534 2.306 2.329 1.00 1.00 H new ATOM 180 N ARG A 84 -1.593 0.195 6.934 1.00 1.00 N ATOM 181 CA ARG A 84 -0.831 -0.276 8.078 1.00 1.00 C ATOM 182 C ARG A 84 -0.786 -1.806 8.093 1.00 1.00 C ATOM 183 O ARG A 84 -1.827 -2.461 8.095 1.00 1.00 O ATOM 184 CB ARG A 84 -1.441 0.222 9.390 1.00 1.00 C ATOM 185 CG ARG A 84 -0.775 1.521 9.848 1.00 1.00 C ATOM 186 CD ARG A 84 -1.687 2.300 10.798 1.00 1.00 C ATOM 187 NE ARG A 84 -2.323 1.373 11.760 1.00 1.00 N ATOM 188 CZ ARG A 84 -3.371 1.701 12.547 1.00 1.00 C ATOM 189 NH1 ARG A 84 -3.908 2.938 12.492 1.00 1.00 N ATOM 190 NH2 ARG A 84 -3.861 0.794 13.371 1.00 1.00 N ATOM 0 H ARG A 84 -2.580 -0.063 6.943 1.00 1.00 H new ATOM 0 HA ARG A 84 0.180 0.120 7.988 1.00 1.00 H new ATOM 0 HB2 ARG A 84 -2.511 0.385 9.259 1.00 1.00 H new ATOM 0 HB3 ARG A 84 -1.327 -0.540 10.161 1.00 1.00 H new ATOM 0 HG2 ARG A 84 0.167 1.294 10.347 1.00 1.00 H new ATOM 0 HG3 ARG A 84 -0.536 2.137 8.981 1.00 1.00 H new ATOM 0 HD2 ARG A 84 -1.110 3.054 11.334 1.00 1.00 H new ATOM 0 HD3 ARG A 84 -2.452 2.829 10.229 1.00 1.00 H new ATOM 0 HE ARG A 84 -1.947 0.428 11.834 1.00 1.00 H new ATOM 0 HH11 ARG A 84 -3.523 3.633 11.853 1.00 1.00 H new ATOM 0 HH12 ARG A 84 -4.699 3.178 13.090 1.00 1.00 H new ATOM 0 HH21 ARG A 84 -3.449 -0.138 13.407 1.00 1.00 H new ATOM 0 HH22 ARG A 84 -4.652 1.025 13.972 1.00 1.00 H new ATOM 199 N SER A 85 0.431 -2.329 8.103 1.00 1.00 N ATOM 200 CA SER A 85 0.627 -3.769 8.116 1.00 1.00 C ATOM 201 C SER A 85 -0.324 -4.416 9.126 1.00 1.00 C ATOM 202 O SER A 85 -0.091 -4.353 10.332 1.00 1.00 O ATOM 203 CB SER A 85 2.077 -4.126 8.450 1.00 1.00 C ATOM 204 OG SER A 85 2.763 -4.675 7.328 1.00 1.00 O ATOM 0 H SER A 85 1.292 -1.781 8.102 1.00 1.00 H new ATOM 0 HA SER A 85 0.408 -4.153 7.120 1.00 1.00 H new ATOM 0 HB2 SER A 85 2.600 -3.234 8.794 1.00 1.00 H new ATOM 0 HB3 SER A 85 2.094 -4.842 9.272 1.00 1.00 H new ATOM 0 HG SER A 85 2.308 -5.492 7.034 1.00 1.00 H new ATOM 209 N PRO A 86 -1.403 -5.039 8.581 1.00 1.00 N ATOM 210 CA PRO A 86 -2.391 -5.696 9.421 1.00 1.00 C ATOM 211 C PRO A 86 -1.854 -7.023 9.961 1.00 1.00 C ATOM 212 O PRO A 86 -2.552 -7.731 10.685 1.00 1.00 O ATOM 213 CB PRO A 86 -3.612 -5.867 8.532 1.00 1.00 C ATOM 214 CG PRO A 86 -3.112 -5.724 7.104 1.00 1.00 C ATOM 215 CD PRO A 86 -1.712 -5.133 7.158 1.00 1.00 C ATOM 0 HA PRO A 86 -2.641 -5.117 10.310 1.00 1.00 H new ATOM 0 HB2 PRO A 86 -4.075 -6.841 8.688 1.00 1.00 H new ATOM 0 HB3 PRO A 86 -4.368 -5.115 8.758 1.00 1.00 H new ATOM 0 HG2 PRO A 86 -3.098 -6.693 6.605 1.00 1.00 H new ATOM 0 HG3 PRO A 86 -3.777 -5.079 6.529 1.00 1.00 H new ATOM 0 HD2 PRO A 86 -0.994 -5.768 6.638 1.00 1.00 H new ATOM 0 HD3 PRO A 86 -1.677 -4.154 6.680 1.00 1.00 H new ATOM 220 N MET A 87 -0.618 -7.321 9.588 1.00 1.00 N ATOM 221 CA MET A 87 0.021 -8.551 10.025 1.00 1.00 C ATOM 222 C MET A 87 1.544 -8.408 10.025 1.00 1.00 C ATOM 223 O MET A 87 2.153 -8.216 8.975 1.00 1.00 O ATOM 224 CB MET A 87 -0.385 -9.696 9.095 1.00 1.00 C ATOM 225 CG MET A 87 -1.173 -10.765 9.854 1.00 1.00 C ATOM 226 SD MET A 87 -1.723 -12.033 8.724 1.00 1.00 S ATOM 227 CE MET A 87 -2.823 -12.946 9.794 1.00 1.00 C ATOM 0 H MET A 87 -0.042 -6.731 8.988 1.00 1.00 H new ATOM 0 HA MET A 87 -0.305 -8.765 11.043 1.00 1.00 H new ATOM 0 HB2 MET A 87 -0.989 -9.307 8.276 1.00 1.00 H new ATOM 0 HB3 MET A 87 0.505 -10.142 8.651 1.00 1.00 H new ATOM 0 HG2 MET A 87 -0.549 -11.205 10.632 1.00 1.00 H new ATOM 0 HG3 MET A 87 -2.031 -10.312 10.351 1.00 1.00 H new ATOM 0 HE1 MET A 87 -3.257 -13.780 9.243 1.00 1.00 H new ATOM 0 HE2 MET A 87 -2.265 -13.327 10.650 1.00 1.00 H new ATOM 0 HE3 MET A 87 -3.619 -12.289 10.143 1.00 1.00 H new ATOM 235 N VAL A 88 2.115 -8.507 11.217 1.00 1.00 N ATOM 236 CA VAL A 88 3.555 -8.390 11.368 1.00 1.00 C ATOM 237 C VAL A 88 4.245 -9.352 10.398 1.00 1.00 C ATOM 238 O VAL A 88 3.805 -10.488 10.226 1.00 1.00 O ATOM 239 CB VAL A 88 3.949 -8.628 12.828 1.00 1.00 C ATOM 240 CG1 VAL A 88 5.415 -8.261 13.067 1.00 1.00 C ATOM 241 CG2 VAL A 88 3.028 -7.860 13.776 1.00 1.00 C ATOM 0 H VAL A 88 1.606 -8.667 12.087 1.00 1.00 H new ATOM 0 HA VAL A 88 3.885 -7.382 11.116 1.00 1.00 H new ATOM 0 HB VAL A 88 3.833 -9.691 13.038 1.00 1.00 H new ATOM 0 HG11 VAL A 88 5.669 -8.439 14.112 1.00 1.00 H new ATOM 0 HG12 VAL A 88 6.052 -8.873 12.429 1.00 1.00 H new ATOM 0 HG13 VAL A 88 5.570 -7.208 12.831 1.00 1.00 H new ATOM 0 HG21 VAL A 88 3.330 -8.046 14.807 1.00 1.00 H new ATOM 0 HG22 VAL A 88 3.097 -6.793 13.565 1.00 1.00 H new ATOM 0 HG23 VAL A 88 2.000 -8.192 13.633 1.00 1.00 H new ATOM 251 N GLY A 89 5.313 -8.861 9.789 1.00 1.00 N ATOM 252 CA GLY A 89 6.068 -9.663 8.840 1.00 1.00 C ATOM 253 C GLY A 89 6.942 -8.778 7.949 1.00 1.00 C ATOM 254 O GLY A 89 7.798 -8.045 8.443 1.00 1.00 O ATOM 0 H GLY A 89 5.674 -7.918 9.933 1.00 1.00 H new ATOM 0 HA2 GLY A 89 6.694 -10.375 9.377 1.00 1.00 H new ATOM 0 HA3 GLY A 89 5.383 -10.243 8.222 1.00 1.00 H new ATOM 258 N THR A 90 6.697 -8.877 6.649 1.00 1.00 N ATOM 259 CA THR A 90 7.452 -8.095 5.684 1.00 1.00 C ATOM 260 C THR A 90 6.504 -7.373 4.725 1.00 1.00 C ATOM 261 O THR A 90 5.306 -7.650 4.705 1.00 1.00 O ATOM 262 CB THR A 90 8.432 -9.034 4.978 1.00 1.00 C ATOM 263 OG1 THR A 90 9.340 -9.423 6.005 1.00 1.00 O ATOM 264 CG2 THR A 90 9.311 -8.305 3.960 1.00 1.00 C ATOM 0 H THR A 90 5.987 -9.486 6.243 1.00 1.00 H new ATOM 0 HA THR A 90 8.028 -7.310 6.174 1.00 1.00 H new ATOM 0 HB THR A 90 7.878 -9.827 4.476 1.00 1.00 H new ATOM 0 HG1 THR A 90 10.010 -10.035 5.635 1.00 1.00 H new ATOM 0 HG21 THR A 90 9.988 -9.017 3.488 1.00 1.00 H new ATOM 0 HG22 THR A 90 8.681 -7.844 3.199 1.00 1.00 H new ATOM 0 HG23 THR A 90 9.891 -7.534 4.467 1.00 1.00 H new ATOM 272 N PHE A 91 7.075 -6.459 3.954 1.00 1.00 N ATOM 273 CA PHE A 91 6.296 -5.696 2.995 1.00 1.00 C ATOM 274 C PHE A 91 7.073 -5.496 1.692 1.00 1.00 C ATOM 275 O PHE A 91 8.269 -5.208 1.716 1.00 1.00 O ATOM 276 CB PHE A 91 6.025 -4.329 3.628 1.00 1.00 C ATOM 277 CG PHE A 91 5.437 -3.301 2.658 1.00 1.00 C ATOM 278 CD1 PHE A 91 6.207 -2.786 1.663 1.00 1.00 C ATOM 279 CD2 PHE A 91 4.144 -2.901 2.792 1.00 1.00 C ATOM 280 CE1 PHE A 91 5.662 -1.832 0.763 1.00 1.00 C ATOM 281 CE2 PHE A 91 3.598 -1.948 1.894 1.00 1.00 C ATOM 282 CZ PHE A 91 4.368 -1.433 0.898 1.00 1.00 C ATOM 0 H PHE A 91 8.069 -6.230 3.974 1.00 1.00 H new ATOM 0 HA PHE A 91 5.373 -6.226 2.758 1.00 1.00 H new ATOM 0 HB2 PHE A 91 5.339 -4.457 4.466 1.00 1.00 H new ATOM 0 HB3 PHE A 91 6.957 -3.937 4.036 1.00 1.00 H new ATOM 0 HD1 PHE A 91 7.234 -3.103 1.557 1.00 1.00 H new ATOM 0 HD2 PHE A 91 3.532 -3.309 3.583 1.00 1.00 H new ATOM 0 HE1 PHE A 91 6.274 -1.424 -0.028 1.00 1.00 H new ATOM 0 HE2 PHE A 91 2.571 -1.631 2.001 1.00 1.00 H new ATOM 0 HZ PHE A 91 3.952 -0.707 0.214 1.00 1.00 H new ATOM 291 N TYR A 92 6.362 -5.658 0.586 1.00 1.00 N ATOM 292 CA TYR A 92 6.970 -5.499 -0.724 1.00 1.00 C ATOM 293 C TYR A 92 6.152 -4.544 -1.596 1.00 1.00 C ATOM 294 O TYR A 92 4.987 -4.276 -1.306 1.00 1.00 O ATOM 295 CB TYR A 92 6.961 -6.888 -1.364 1.00 1.00 C ATOM 296 CG TYR A 92 7.897 -7.891 -0.685 1.00 1.00 C ATOM 297 CD1 TYR A 92 9.261 -7.796 -0.869 1.00 1.00 C ATOM 298 CD2 TYR A 92 7.375 -8.892 0.110 1.00 1.00 C ATOM 299 CE1 TYR A 92 10.141 -8.740 -0.230 1.00 1.00 C ATOM 300 CE2 TYR A 92 8.255 -9.836 0.749 1.00 1.00 C ATOM 301 CZ TYR A 92 9.595 -9.714 0.547 1.00 1.00 C ATOM 302 OH TYR A 92 10.426 -10.605 1.151 1.00 1.00 O ATOM 0 H TYR A 92 5.371 -5.898 0.570 1.00 1.00 H new ATOM 0 HA TYR A 92 7.975 -5.087 -0.633 1.00 1.00 H new ATOM 0 HB2 TYR A 92 5.945 -7.281 -1.341 1.00 1.00 H new ATOM 0 HB3 TYR A 92 7.243 -6.796 -2.413 1.00 1.00 H new ATOM 0 HD1 TYR A 92 9.669 -7.014 -1.492 1.00 1.00 H new ATOM 0 HD2 TYR A 92 6.307 -8.967 0.253 1.00 1.00 H new ATOM 0 HE1 TYR A 92 11.211 -8.676 -0.365 1.00 1.00 H new ATOM 0 HE2 TYR A 92 7.860 -10.623 1.374 1.00 1.00 H new ATOM 0 HH TYR A 92 9.915 -11.150 1.785 1.00 1.00 H new ATOM 311 N ARG A 93 6.794 -4.056 -2.647 1.00 1.00 N ATOM 312 CA ARG A 93 6.141 -3.137 -3.564 1.00 1.00 C ATOM 313 C ARG A 93 5.915 -3.809 -4.920 1.00 1.00 C ATOM 314 O ARG A 93 5.157 -3.306 -5.747 1.00 1.00 O ATOM 315 CB ARG A 93 6.976 -1.870 -3.762 1.00 1.00 C ATOM 316 CG ARG A 93 7.432 -1.299 -2.419 1.00 1.00 C ATOM 317 CD ARG A 93 6.649 -0.032 -2.067 1.00 1.00 C ATOM 318 NE ARG A 93 7.072 1.083 -2.944 1.00 1.00 N ATOM 319 CZ ARG A 93 8.292 1.660 -2.901 1.00 1.00 C ATOM 320 NH1 ARG A 93 9.221 1.231 -2.022 1.00 1.00 N ATOM 321 NH2 ARG A 93 8.562 2.650 -3.731 1.00 1.00 N ATOM 0 H ARG A 93 7.760 -4.280 -2.884 1.00 1.00 H new ATOM 0 HA ARG A 93 5.181 -2.861 -3.128 1.00 1.00 H new ATOM 0 HB2 ARG A 93 7.846 -2.096 -4.379 1.00 1.00 H new ATOM 0 HB3 ARG A 93 6.390 -1.124 -4.298 1.00 1.00 H new ATOM 0 HG2 ARG A 93 7.294 -2.045 -1.637 1.00 1.00 H new ATOM 0 HG3 ARG A 93 8.498 -1.073 -2.459 1.00 1.00 H new ATOM 0 HD2 ARG A 93 5.580 -0.211 -2.182 1.00 1.00 H new ATOM 0 HD3 ARG A 93 6.817 0.231 -1.023 1.00 1.00 H new ATOM 0 HE ARG A 93 6.399 1.438 -3.624 1.00 1.00 H new ATOM 0 HH11 ARG A 93 9.004 0.466 -1.384 1.00 1.00 H new ATOM 0 HH12 ARG A 93 10.140 1.672 -1.996 1.00 1.00 H new ATOM 0 HH21 ARG A 93 7.854 2.969 -4.392 1.00 1.00 H new ATOM 0 HH22 ARG A 93 9.479 3.096 -3.711 1.00 1.00 H new ATOM 330 N THR A 94 6.589 -4.935 -5.104 1.00 1.00 N ATOM 331 CA THR A 94 6.472 -5.682 -6.346 1.00 1.00 C ATOM 332 C THR A 94 6.168 -7.153 -6.057 1.00 1.00 C ATOM 333 O THR A 94 6.487 -7.657 -4.981 1.00 1.00 O ATOM 334 CB THR A 94 7.759 -5.473 -7.147 1.00 1.00 C ATOM 335 OG1 THR A 94 8.787 -5.945 -6.280 1.00 1.00 O ATOM 336 CG2 THR A 94 8.090 -3.992 -7.346 1.00 1.00 C ATOM 0 H THR A 94 7.217 -5.348 -4.415 1.00 1.00 H new ATOM 0 HA THR A 94 5.637 -5.322 -6.947 1.00 1.00 H new ATOM 0 HB THR A 94 7.665 -5.958 -8.119 1.00 1.00 H new ATOM 0 HG1 THR A 94 9.214 -6.733 -6.677 1.00 1.00 H new ATOM 0 HG21 THR A 94 9.012 -3.899 -7.920 1.00 1.00 H new ATOM 0 HG22 THR A 94 7.276 -3.507 -7.885 1.00 1.00 H new ATOM 0 HG23 THR A 94 8.218 -3.514 -6.375 1.00 1.00 H new ATOM 344 N PRO A 95 5.539 -7.818 -7.063 1.00 1.00 N ATOM 345 CA PRO A 95 5.189 -9.222 -6.927 1.00 1.00 C ATOM 346 C PRO A 95 6.426 -10.112 -7.066 1.00 1.00 C ATOM 347 O PRO A 95 6.472 -11.208 -6.510 1.00 1.00 O ATOM 348 CB PRO A 95 4.151 -9.474 -8.009 1.00 1.00 C ATOM 349 CG PRO A 95 4.299 -8.335 -9.003 1.00 1.00 C ATOM 350 CD PRO A 95 5.146 -7.255 -8.350 1.00 1.00 C ATOM 0 HA PRO A 95 4.787 -9.462 -5.943 1.00 1.00 H new ATOM 0 HB2 PRO A 95 4.316 -10.437 -8.492 1.00 1.00 H new ATOM 0 HB3 PRO A 95 3.146 -9.497 -7.588 1.00 1.00 H new ATOM 0 HG2 PRO A 95 4.770 -8.688 -9.920 1.00 1.00 H new ATOM 0 HG3 PRO A 95 3.322 -7.939 -9.279 1.00 1.00 H new ATOM 0 HD2 PRO A 95 6.017 -7.013 -8.959 1.00 1.00 H new ATOM 0 HD3 PRO A 95 4.581 -6.332 -8.222 1.00 1.00 H new ATOM 355 N SER A 96 7.398 -9.607 -7.811 1.00 1.00 N ATOM 356 CA SER A 96 8.632 -10.342 -8.030 1.00 1.00 C ATOM 357 C SER A 96 9.821 -9.380 -8.030 1.00 1.00 C ATOM 358 O SER A 96 9.644 -8.168 -7.911 1.00 1.00 O ATOM 359 CB SER A 96 8.581 -11.124 -9.344 1.00 1.00 C ATOM 360 OG SER A 96 8.840 -12.512 -9.151 1.00 1.00 O ATOM 0 H SER A 96 7.356 -8.697 -8.271 1.00 1.00 H new ATOM 0 HA SER A 96 8.753 -11.058 -7.217 1.00 1.00 H new ATOM 0 HB2 SER A 96 7.600 -10.999 -9.802 1.00 1.00 H new ATOM 0 HB3 SER A 96 9.312 -10.712 -10.039 1.00 1.00 H new ATOM 0 HG SER A 96 8.797 -12.976 -10.013 1.00 1.00 H new ATOM 365 N PRO A 97 11.039 -9.970 -8.168 1.00 1.00 N ATOM 366 CA PRO A 97 12.257 -9.179 -8.184 1.00 1.00 C ATOM 367 C PRO A 97 12.420 -8.452 -9.521 1.00 1.00 C ATOM 368 O PRO A 97 12.779 -7.275 -9.552 1.00 1.00 O ATOM 369 CB PRO A 97 13.375 -10.171 -7.909 1.00 1.00 C ATOM 370 CG PRO A 97 12.796 -11.545 -8.208 1.00 1.00 C ATOM 371 CD PRO A 97 11.287 -11.402 -8.311 1.00 1.00 C ATOM 0 HA PRO A 97 12.253 -8.386 -7.436 1.00 1.00 H new ATOM 0 HB2 PRO A 97 14.242 -9.967 -8.538 1.00 1.00 H new ATOM 0 HB3 PRO A 97 13.710 -10.105 -6.874 1.00 1.00 H new ATOM 0 HG2 PRO A 97 13.207 -11.938 -9.138 1.00 1.00 H new ATOM 0 HG3 PRO A 97 13.060 -12.250 -7.420 1.00 1.00 H new ATOM 0 HD2 PRO A 97 10.918 -11.774 -9.267 1.00 1.00 H new ATOM 0 HD3 PRO A 97 10.781 -11.971 -7.531 1.00 1.00 H new ATOM 376 N ASP A 98 12.148 -9.182 -10.593 1.00 1.00 N ATOM 377 CA ASP A 98 12.260 -8.621 -11.928 1.00 1.00 C ATOM 378 C ASP A 98 10.866 -8.247 -12.439 1.00 1.00 C ATOM 379 O ASP A 98 10.468 -8.661 -13.526 1.00 1.00 O ATOM 380 CB ASP A 98 12.864 -9.634 -12.903 1.00 1.00 C ATOM 381 CG ASP A 98 12.065 -10.929 -13.066 1.00 1.00 C ATOM 382 OD1 ASP A 98 12.280 -11.909 -12.337 1.00 1.00 O ATOM 383 OD2 ASP A 98 11.176 -10.907 -14.002 1.00 1.00 O ATOM 0 H ASP A 98 11.850 -10.157 -10.564 1.00 1.00 H new ATOM 0 HA ASP A 98 12.906 -7.745 -11.872 1.00 1.00 H new ATOM 0 HB2 ASP A 98 12.964 -9.161 -13.880 1.00 1.00 H new ATOM 0 HB3 ASP A 98 13.870 -9.885 -12.566 1.00 1.00 H new ATOM 388 N ALA A 99 10.164 -7.469 -11.628 1.00 1.00 N ATOM 389 CA ALA A 99 8.823 -7.035 -11.984 1.00 1.00 C ATOM 390 C ALA A 99 8.640 -5.573 -11.573 1.00 1.00 C ATOM 391 O ALA A 99 9.164 -5.142 -10.547 1.00 1.00 O ATOM 392 CB ALA A 99 7.796 -7.959 -11.327 1.00 1.00 C ATOM 0 H ALA A 99 10.498 -7.128 -10.726 1.00 1.00 H new ATOM 0 HA ALA A 99 8.673 -7.096 -13.062 1.00 1.00 H new ATOM 0 HB1 ALA A 99 6.791 -7.634 -11.594 1.00 1.00 H new ATOM 0 HB2 ALA A 99 7.951 -8.981 -11.674 1.00 1.00 H new ATOM 0 HB3 ALA A 99 7.914 -7.922 -10.244 1.00 1.00 H new ATOM 398 N LYS A 100 7.892 -4.850 -12.393 1.00 1.00 N ATOM 399 CA LYS A 100 7.633 -3.445 -12.128 1.00 1.00 C ATOM 400 C LYS A 100 6.885 -3.312 -10.800 1.00 1.00 C ATOM 401 O LYS A 100 6.410 -4.303 -10.248 1.00 1.00 O ATOM 402 CB LYS A 100 6.905 -2.802 -13.310 1.00 1.00 C ATOM 403 CG LYS A 100 7.444 -3.332 -14.640 1.00 1.00 C ATOM 404 CD LYS A 100 6.519 -4.404 -15.219 1.00 1.00 C ATOM 405 CE LYS A 100 7.324 -5.577 -15.781 1.00 1.00 C ATOM 406 NZ LYS A 100 6.977 -6.830 -15.074 1.00 1.00 N ATOM 0 H LYS A 100 7.457 -5.211 -13.242 1.00 1.00 H new ATOM 0 HA LYS A 100 8.570 -2.897 -12.024 1.00 1.00 H new ATOM 0 HB2 LYS A 100 5.837 -3.007 -13.239 1.00 1.00 H new ATOM 0 HB3 LYS A 100 7.025 -1.719 -13.270 1.00 1.00 H new ATOM 0 HG2 LYS A 100 7.543 -2.510 -15.349 1.00 1.00 H new ATOM 0 HG3 LYS A 100 8.441 -3.748 -14.493 1.00 1.00 H new ATOM 0 HD2 LYS A 100 5.841 -4.762 -14.444 1.00 1.00 H new ATOM 0 HD3 LYS A 100 5.903 -3.971 -16.007 1.00 1.00 H new ATOM 0 HE2 LYS A 100 7.123 -5.686 -16.847 1.00 1.00 H new ATOM 0 HE3 LYS A 100 8.390 -5.377 -15.677 1.00 1.00 H new ATOM 0 HZ1 LYS A 100 7.831 -7.413 -14.961 1.00 1.00 H new ATOM 0 HZ2 LYS A 100 6.586 -6.603 -14.137 1.00 1.00 H new ATOM 0 HZ3 LYS A 100 6.270 -7.356 -15.626 1.00 1.00 H new ATOM 415 N ALA A 101 6.805 -2.078 -10.325 1.00 1.00 N ATOM 416 CA ALA A 101 6.124 -1.802 -9.071 1.00 1.00 C ATOM 417 C ALA A 101 4.612 -1.908 -9.283 1.00 1.00 C ATOM 418 O ALA A 101 4.076 -1.360 -10.245 1.00 1.00 O ATOM 419 CB ALA A 101 6.544 -0.424 -8.554 1.00 1.00 C ATOM 0 H ALA A 101 7.200 -1.258 -10.785 1.00 1.00 H new ATOM 0 HA ALA A 101 6.404 -2.534 -8.313 1.00 1.00 H new ATOM 0 HB1 ALA A 101 6.033 -0.217 -7.614 1.00 1.00 H new ATOM 0 HB2 ALA A 101 7.622 -0.409 -8.393 1.00 1.00 H new ATOM 0 HB3 ALA A 101 6.276 0.337 -9.287 1.00 1.00 H new ATOM 425 N PHE A 102 3.967 -2.616 -8.367 1.00 1.00 N ATOM 426 CA PHE A 102 2.528 -2.802 -8.442 1.00 1.00 C ATOM 427 C PHE A 102 1.823 -1.488 -8.787 1.00 1.00 C ATOM 428 O PHE A 102 0.922 -1.465 -9.626 1.00 1.00 O ATOM 429 CB PHE A 102 2.065 -3.268 -7.060 1.00 1.00 C ATOM 430 CG PHE A 102 1.944 -4.787 -6.924 1.00 1.00 C ATOM 431 CD1 PHE A 102 0.908 -5.443 -7.513 1.00 1.00 C ATOM 432 CD2 PHE A 102 2.873 -5.481 -6.214 1.00 1.00 C ATOM 433 CE1 PHE A 102 0.796 -6.852 -7.386 1.00 1.00 C ATOM 434 CE2 PHE A 102 2.761 -6.891 -6.087 1.00 1.00 C ATOM 435 CZ PHE A 102 1.725 -7.548 -6.675 1.00 1.00 C ATOM 0 H PHE A 102 4.415 -3.067 -7.569 1.00 1.00 H new ATOM 0 HA PHE A 102 2.286 -3.528 -9.218 1.00 1.00 H new ATOM 0 HB2 PHE A 102 2.766 -2.901 -6.310 1.00 1.00 H new ATOM 0 HB3 PHE A 102 1.098 -2.816 -6.840 1.00 1.00 H new ATOM 0 HD1 PHE A 102 0.171 -4.891 -8.077 1.00 1.00 H new ATOM 0 HD2 PHE A 102 3.696 -4.960 -5.747 1.00 1.00 H new ATOM 0 HE1 PHE A 102 -0.027 -7.372 -7.854 1.00 1.00 H new ATOM 0 HE2 PHE A 102 3.499 -7.442 -5.523 1.00 1.00 H new ATOM 0 HZ PHE A 102 1.640 -8.620 -6.578 1.00 1.00 H new ATOM 444 N ILE A 103 2.259 -0.428 -8.123 1.00 1.00 N ATOM 445 CA ILE A 103 1.680 0.886 -8.349 1.00 1.00 C ATOM 446 C ILE A 103 2.803 1.917 -8.478 1.00 1.00 C ATOM 447 O ILE A 103 3.789 1.861 -7.744 1.00 1.00 O ATOM 448 CB ILE A 103 0.661 1.218 -7.257 1.00 1.00 C ATOM 449 CG1 ILE A 103 -0.519 0.246 -7.294 1.00 1.00 C ATOM 450 CG2 ILE A 103 0.208 2.675 -7.356 1.00 1.00 C ATOM 451 CD1 ILE A 103 -1.319 0.404 -8.589 1.00 1.00 C ATOM 0 H ILE A 103 3.006 -0.452 -7.429 1.00 1.00 H new ATOM 0 HA ILE A 103 1.123 0.902 -9.286 1.00 1.00 H new ATOM 0 HB ILE A 103 1.146 1.097 -6.288 1.00 1.00 H new ATOM 0 HG12 ILE A 103 -0.154 -0.778 -7.210 1.00 1.00 H new ATOM 0 HG13 ILE A 103 -1.169 0.424 -6.437 1.00 1.00 H new ATOM 0 HG21 ILE A 103 -0.516 2.885 -6.569 1.00 1.00 H new ATOM 0 HG22 ILE A 103 1.070 3.333 -7.242 1.00 1.00 H new ATOM 0 HG23 ILE A 103 -0.253 2.847 -8.328 1.00 1.00 H new ATOM 0 HD11 ILE A 103 -2.152 -0.299 -8.590 1.00 1.00 H new ATOM 0 HD12 ILE A 103 -1.703 1.422 -8.658 1.00 1.00 H new ATOM 0 HD13 ILE A 103 -0.673 0.201 -9.443 1.00 1.00 H new ATOM 462 N GLU A 104 2.616 2.834 -9.416 1.00 1.00 N ATOM 463 CA GLU A 104 3.602 3.876 -9.650 1.00 1.00 C ATOM 464 C GLU A 104 3.112 5.207 -9.075 1.00 1.00 C ATOM 465 O GLU A 104 2.110 5.754 -9.532 1.00 1.00 O ATOM 466 CB GLU A 104 3.918 4.007 -11.141 1.00 1.00 C ATOM 467 CG GLU A 104 2.705 4.528 -11.915 1.00 1.00 C ATOM 468 CD GLU A 104 2.745 6.053 -12.034 1.00 1.00 C ATOM 469 OE1 GLU A 104 3.551 6.707 -11.356 1.00 1.00 O ATOM 470 OE2 GLU A 104 1.898 6.557 -12.867 1.00 1.00 O ATOM 0 H GLU A 104 1.797 2.877 -10.023 1.00 1.00 H new ATOM 0 HA GLU A 104 4.524 3.598 -9.140 1.00 1.00 H new ATOM 0 HB2 GLU A 104 4.761 4.684 -11.280 1.00 1.00 H new ATOM 0 HB3 GLU A 104 4.219 3.038 -11.539 1.00 1.00 H new ATOM 0 HG2 GLU A 104 2.685 4.082 -12.910 1.00 1.00 H new ATOM 0 HG3 GLU A 104 1.788 4.223 -11.410 1.00 1.00 H new ATOM 476 N VAL A 105 3.844 5.690 -8.081 1.00 1.00 N ATOM 477 CA VAL A 105 3.497 6.946 -7.439 1.00 1.00 C ATOM 478 C VAL A 105 3.044 7.949 -8.501 1.00 1.00 C ATOM 479 O VAL A 105 3.825 8.336 -9.369 1.00 1.00 O ATOM 480 CB VAL A 105 4.677 7.451 -6.605 1.00 1.00 C ATOM 481 CG1 VAL A 105 4.331 8.768 -5.907 1.00 1.00 C ATOM 482 CG2 VAL A 105 5.125 6.395 -5.593 1.00 1.00 C ATOM 0 H VAL A 105 4.675 5.234 -7.705 1.00 1.00 H new ATOM 0 HA VAL A 105 2.665 6.805 -6.749 1.00 1.00 H new ATOM 0 HB VAL A 105 5.510 7.640 -7.283 1.00 1.00 H new ATOM 0 HG11 VAL A 105 5.186 9.105 -5.321 1.00 1.00 H new ATOM 0 HG12 VAL A 105 4.083 9.522 -6.654 1.00 1.00 H new ATOM 0 HG13 VAL A 105 3.476 8.617 -5.247 1.00 1.00 H new ATOM 0 HG21 VAL A 105 5.964 6.779 -5.014 1.00 1.00 H new ATOM 0 HG22 VAL A 105 4.299 6.160 -4.922 1.00 1.00 H new ATOM 0 HG23 VAL A 105 5.432 5.492 -6.121 1.00 1.00 H new ATOM 492 N GLY A 106 1.782 8.343 -8.398 1.00 1.00 N ATOM 493 CA GLY A 106 1.216 9.293 -9.339 1.00 1.00 C ATOM 494 C GLY A 106 0.205 8.611 -10.265 1.00 1.00 C ATOM 495 O GLY A 106 -0.028 9.071 -11.381 1.00 1.00 O ATOM 0 H GLY A 106 1.137 8.021 -7.677 1.00 1.00 H new ATOM 0 HA2 GLY A 106 0.729 10.102 -8.796 1.00 1.00 H new ATOM 0 HA3 GLY A 106 2.013 9.742 -9.932 1.00 1.00 H new ATOM 499 N GLN A 107 -0.368 7.527 -9.765 1.00 1.00 N ATOM 500 CA GLN A 107 -1.349 6.778 -10.533 1.00 1.00 C ATOM 501 C GLN A 107 -2.685 6.735 -9.789 1.00 1.00 C ATOM 502 O GLN A 107 -2.770 7.145 -8.632 1.00 1.00 O ATOM 503 CB GLN A 107 -0.845 5.365 -10.837 1.00 1.00 C ATOM 504 CG GLN A 107 -1.664 4.720 -11.956 1.00 1.00 C ATOM 505 CD GLN A 107 -0.797 3.782 -12.799 1.00 1.00 C ATOM 506 OE1 GLN A 107 -0.431 4.078 -13.925 1.00 1.00 O ATOM 507 NE2 GLN A 107 -0.488 2.640 -12.192 1.00 1.00 N ATOM 0 H GLN A 107 -0.172 7.149 -8.838 1.00 1.00 H new ATOM 0 HA GLN A 107 -1.502 7.287 -11.485 1.00 1.00 H new ATOM 0 HB2 GLN A 107 0.205 5.404 -11.126 1.00 1.00 H new ATOM 0 HB3 GLN A 107 -0.905 4.752 -9.938 1.00 1.00 H new ATOM 0 HG2 GLN A 107 -2.497 4.164 -11.527 1.00 1.00 H new ATOM 0 HG3 GLN A 107 -2.092 5.495 -12.592 1.00 1.00 H new ATOM 0 HE21 GLN A 107 -0.828 2.456 -11.248 1.00 1.00 H new ATOM 0 HE22 GLN A 107 0.089 1.948 -12.670 1.00 1.00 H new ATOM 514 N LYS A 108 -3.697 6.236 -10.484 1.00 1.00 N ATOM 515 CA LYS A 108 -5.026 6.134 -9.903 1.00 1.00 C ATOM 516 C LYS A 108 -5.348 4.663 -9.634 1.00 1.00 C ATOM 517 O LYS A 108 -5.304 3.837 -10.545 1.00 1.00 O ATOM 518 CB LYS A 108 -6.053 6.836 -10.793 1.00 1.00 C ATOM 519 CG LYS A 108 -7.469 6.656 -10.241 1.00 1.00 C ATOM 520 CD LYS A 108 -8.518 7.038 -11.288 1.00 1.00 C ATOM 521 CE LYS A 108 -9.737 7.690 -10.631 1.00 1.00 C ATOM 522 NZ LYS A 108 -10.986 7.062 -11.118 1.00 1.00 N ATOM 0 H LYS A 108 -3.624 5.898 -11.444 1.00 1.00 H new ATOM 0 HA LYS A 108 -5.064 6.649 -8.943 1.00 1.00 H new ATOM 0 HB2 LYS A 108 -5.817 7.898 -10.860 1.00 1.00 H new ATOM 0 HB3 LYS A 108 -5.999 6.433 -11.805 1.00 1.00 H new ATOM 0 HG2 LYS A 108 -7.615 5.620 -9.936 1.00 1.00 H new ATOM 0 HG3 LYS A 108 -7.597 7.272 -9.351 1.00 1.00 H new ATOM 0 HD2 LYS A 108 -8.080 7.725 -12.013 1.00 1.00 H new ATOM 0 HD3 LYS A 108 -8.829 6.150 -11.838 1.00 1.00 H new ATOM 0 HE2 LYS A 108 -9.671 7.590 -9.548 1.00 1.00 H new ATOM 0 HE3 LYS A 108 -9.749 8.757 -10.852 1.00 1.00 H new ATOM 0 HZ1 LYS A 108 -11.803 7.516 -10.662 1.00 1.00 H new ATOM 0 HZ2 LYS A 108 -11.055 7.180 -12.149 1.00 1.00 H new ATOM 0 HZ3 LYS A 108 -10.979 6.048 -10.885 1.00 1.00 H new ATOM 531 N VAL A 109 -5.666 4.380 -8.379 1.00 1.00 N ATOM 532 CA VAL A 109 -5.997 3.024 -7.978 1.00 1.00 C ATOM 533 C VAL A 109 -7.456 2.971 -7.523 1.00 1.00 C ATOM 534 O VAL A 109 -7.915 3.852 -6.796 1.00 1.00 O ATOM 535 CB VAL A 109 -5.018 2.542 -6.905 1.00 1.00 C ATOM 536 CG1 VAL A 109 -3.623 2.323 -7.494 1.00 1.00 C ATOM 537 CG2 VAL A 109 -4.970 3.519 -5.729 1.00 1.00 C ATOM 0 H VAL A 109 -5.701 5.068 -7.626 1.00 1.00 H new ATOM 0 HA VAL A 109 -5.896 2.342 -8.822 1.00 1.00 H new ATOM 0 HB VAL A 109 -5.377 1.584 -6.530 1.00 1.00 H new ATOM 0 HG11 VAL A 109 -2.947 1.981 -6.711 1.00 1.00 H new ATOM 0 HG12 VAL A 109 -3.675 1.572 -8.282 1.00 1.00 H new ATOM 0 HG13 VAL A 109 -3.252 3.260 -7.909 1.00 1.00 H new ATOM 0 HG21 VAL A 109 -4.267 3.153 -4.981 1.00 1.00 H new ATOM 0 HG22 VAL A 109 -4.647 4.498 -6.082 1.00 1.00 H new ATOM 0 HG23 VAL A 109 -5.962 3.603 -5.285 1.00 1.00 H new ATOM 547 N ASN A 110 -8.146 1.932 -7.969 1.00 1.00 N ATOM 548 CA ASN A 110 -9.544 1.754 -7.617 1.00 1.00 C ATOM 549 C ASN A 110 -9.704 0.453 -6.827 1.00 1.00 C ATOM 550 O ASN A 110 -9.015 -0.529 -7.096 1.00 1.00 O ATOM 551 CB ASN A 110 -10.419 1.659 -8.867 1.00 1.00 C ATOM 552 CG ASN A 110 -9.878 0.607 -9.838 1.00 1.00 C ATOM 553 OD1 ASN A 110 -8.716 0.607 -10.209 1.00 1.00 O ATOM 554 ND2 ASN A 110 -10.782 -0.287 -10.226 1.00 1.00 N ATOM 0 H ASN A 110 -7.762 1.204 -8.572 1.00 1.00 H new ATOM 0 HA ASN A 110 -9.855 2.614 -7.025 1.00 1.00 H new ATOM 0 HB2 ASN A 110 -11.440 1.405 -8.582 1.00 1.00 H new ATOM 0 HB3 ASN A 110 -10.459 2.629 -9.362 1.00 1.00 H new ATOM 0 HD21 ASN A 110 -10.519 -1.031 -10.873 1.00 1.00 H new ATOM 0 HD22 ASN A 110 -11.739 -0.229 -9.877 1.00 1.00 H new ATOM 560 N VAL A 111 -10.619 0.489 -5.868 1.00 1.00 N ATOM 561 CA VAL A 111 -10.879 -0.674 -5.039 1.00 1.00 C ATOM 562 C VAL A 111 -10.850 -1.933 -5.908 1.00 1.00 C ATOM 563 O VAL A 111 -11.747 -2.152 -6.719 1.00 1.00 O ATOM 564 CB VAL A 111 -12.200 -0.497 -4.288 1.00 1.00 C ATOM 565 CG1 VAL A 111 -13.390 -0.852 -5.181 1.00 1.00 C ATOM 566 CG2 VAL A 111 -12.215 -1.324 -3.001 1.00 1.00 C ATOM 0 H VAL A 111 -11.189 1.306 -5.648 1.00 1.00 H new ATOM 0 HA VAL A 111 -10.102 -0.784 -4.282 1.00 1.00 H new ATOM 0 HB VAL A 111 -12.290 0.554 -4.012 1.00 1.00 H new ATOM 0 HG11 VAL A 111 -14.317 -0.718 -4.623 1.00 1.00 H new ATOM 0 HG12 VAL A 111 -13.396 -0.201 -6.056 1.00 1.00 H new ATOM 0 HG13 VAL A 111 -13.307 -1.890 -5.502 1.00 1.00 H new ATOM 0 HG21 VAL A 111 -13.165 -1.180 -2.487 1.00 1.00 H new ATOM 0 HG22 VAL A 111 -12.091 -2.379 -3.245 1.00 1.00 H new ATOM 0 HG23 VAL A 111 -11.399 -1.003 -2.353 1.00 1.00 H new ATOM 576 N GLY A 112 -9.807 -2.727 -5.709 1.00 1.00 N ATOM 577 CA GLY A 112 -9.650 -3.957 -6.466 1.00 1.00 C ATOM 578 C GLY A 112 -8.265 -4.028 -7.116 1.00 1.00 C ATOM 579 O GLY A 112 -7.923 -5.026 -7.747 1.00 1.00 O ATOM 0 H GLY A 112 -9.064 -2.542 -5.035 1.00 1.00 H new ATOM 0 HA2 GLY A 112 -9.791 -4.814 -5.807 1.00 1.00 H new ATOM 0 HA3 GLY A 112 -10.420 -4.016 -7.235 1.00 1.00 H new ATOM 583 N ASP A 113 -7.508 -2.955 -6.938 1.00 1.00 N ATOM 584 CA ASP A 113 -6.171 -2.883 -7.499 1.00 1.00 C ATOM 585 C ASP A 113 -5.143 -3.097 -6.387 1.00 1.00 C ATOM 586 O ASP A 113 -5.286 -2.554 -5.292 1.00 1.00 O ATOM 587 CB ASP A 113 -5.910 -1.511 -8.126 1.00 1.00 C ATOM 588 CG ASP A 113 -5.952 -1.480 -9.655 1.00 1.00 C ATOM 589 OD1 ASP A 113 -7.032 -1.512 -10.264 1.00 1.00 O ATOM 590 OD2 ASP A 113 -4.800 -1.420 -10.232 1.00 1.00 O ATOM 0 H ASP A 113 -7.796 -2.129 -6.413 1.00 1.00 H new ATOM 0 HA ASP A 113 -6.086 -3.653 -8.266 1.00 1.00 H new ATOM 0 HB2 ASP A 113 -6.649 -0.807 -7.743 1.00 1.00 H new ATOM 0 HB3 ASP A 113 -4.933 -1.158 -7.797 1.00 1.00 H new ATOM 595 N THR A 114 -4.129 -3.890 -6.705 1.00 1.00 N ATOM 596 CA THR A 114 -3.079 -4.183 -5.746 1.00 1.00 C ATOM 597 C THR A 114 -2.387 -2.892 -5.300 1.00 1.00 C ATOM 598 O THR A 114 -2.180 -1.986 -6.107 1.00 1.00 O ATOM 599 CB THR A 114 -2.125 -5.194 -6.384 1.00 1.00 C ATOM 600 OG1 THR A 114 -2.940 -6.337 -6.622 1.00 1.00 O ATOM 601 CG2 THR A 114 -1.060 -5.693 -5.404 1.00 1.00 C ATOM 0 H THR A 114 -4.013 -4.338 -7.614 1.00 1.00 H new ATOM 0 HA THR A 114 -3.486 -4.627 -4.837 1.00 1.00 H new ATOM 0 HB THR A 114 -1.639 -4.740 -7.248 1.00 1.00 H new ATOM 0 HG1 THR A 114 -2.401 -7.043 -7.037 1.00 1.00 H new ATOM 0 HG21 THR A 114 -0.409 -6.408 -5.907 1.00 1.00 H new ATOM 0 HG22 THR A 114 -0.467 -4.849 -5.050 1.00 1.00 H new ATOM 0 HG23 THR A 114 -1.544 -6.177 -4.556 1.00 1.00 H new ATOM 609 N LEU A 115 -2.052 -2.850 -4.020 1.00 1.00 N ATOM 610 CA LEU A 115 -1.389 -1.685 -3.458 1.00 1.00 C ATOM 611 C LEU A 115 0.040 -2.061 -3.059 1.00 1.00 C ATOM 612 O LEU A 115 0.949 -1.236 -3.143 1.00 1.00 O ATOM 613 CB LEU A 115 -2.214 -1.100 -2.312 1.00 1.00 C ATOM 614 CG LEU A 115 -2.025 -1.758 -0.943 1.00 1.00 C ATOM 615 CD1 LEU A 115 -1.300 -0.817 0.022 1.00 1.00 C ATOM 616 CD2 LEU A 115 -3.361 -2.241 -0.378 1.00 1.00 C ATOM 0 H LEU A 115 -2.227 -3.604 -3.355 1.00 1.00 H new ATOM 0 HA LEU A 115 -1.315 -0.892 -4.202 1.00 1.00 H new ATOM 0 HB2 LEU A 115 -1.972 -0.041 -2.220 1.00 1.00 H new ATOM 0 HB3 LEU A 115 -3.268 -1.164 -2.581 1.00 1.00 H new ATOM 0 HG LEU A 115 -1.393 -2.637 -1.070 1.00 1.00 H new ATOM 0 HD11 LEU A 115 -1.178 -1.309 0.987 1.00 1.00 H new ATOM 0 HD12 LEU A 115 -0.320 -0.565 -0.383 1.00 1.00 H new ATOM 0 HD13 LEU A 115 -1.885 0.094 0.150 1.00 1.00 H new ATOM 0 HD21 LEU A 115 -3.198 -2.704 0.595 1.00 1.00 H new ATOM 0 HD22 LEU A 115 -4.037 -1.393 -0.268 1.00 1.00 H new ATOM 0 HD23 LEU A 115 -3.801 -2.970 -1.058 1.00 1.00 H new ATOM 627 N CYS A 116 0.193 -3.305 -2.631 1.00 1.00 N ATOM 628 CA CYS A 116 1.495 -3.800 -2.218 1.00 1.00 C ATOM 629 C CYS A 116 1.332 -5.245 -1.744 1.00 1.00 C ATOM 630 O CYS A 116 0.262 -5.833 -1.891 1.00 1.00 O ATOM 631 CB CYS A 116 2.121 -2.913 -1.139 1.00 1.00 C ATOM 632 SG CYS A 116 0.977 -2.750 0.279 1.00 1.00 S ATOM 0 H CYS A 116 -0.564 -3.986 -2.561 1.00 1.00 H new ATOM 0 HA CYS A 116 2.182 -3.772 -3.064 1.00 1.00 H new ATOM 0 HB2 CYS A 116 3.066 -3.343 -0.807 1.00 1.00 H new ATOM 0 HB3 CYS A 116 2.345 -1.929 -1.551 1.00 1.00 H new ATOM 0 HG CYS A 116 1.657 -2.751 1.387 1.00 1.00 H new ATOM 637 N ILE A 117 2.409 -5.776 -1.183 1.00 1.00 N ATOM 638 CA ILE A 117 2.398 -7.141 -0.687 1.00 1.00 C ATOM 639 C ILE A 117 3.004 -7.173 0.718 1.00 1.00 C ATOM 640 O ILE A 117 3.711 -6.248 1.114 1.00 1.00 O ATOM 641 CB ILE A 117 3.093 -8.077 -1.677 1.00 1.00 C ATOM 642 CG1 ILE A 117 2.353 -8.106 -3.016 1.00 1.00 C ATOM 643 CG2 ILE A 117 3.259 -9.478 -1.085 1.00 1.00 C ATOM 644 CD1 ILE A 117 2.743 -9.339 -3.832 1.00 1.00 C ATOM 0 H ILE A 117 3.295 -5.285 -1.061 1.00 1.00 H new ATOM 0 HA ILE A 117 1.375 -7.507 -0.603 1.00 1.00 H new ATOM 0 HB ILE A 117 4.093 -7.688 -1.869 1.00 1.00 H new ATOM 0 HG12 ILE A 117 1.277 -8.107 -2.841 1.00 1.00 H new ATOM 0 HG13 ILE A 117 2.583 -7.203 -3.582 1.00 1.00 H new ATOM 0 HG21 ILE A 117 3.756 -10.123 -1.810 1.00 1.00 H new ATOM 0 HG22 ILE A 117 3.861 -9.421 -0.178 1.00 1.00 H new ATOM 0 HG23 ILE A 117 2.279 -9.890 -0.845 1.00 1.00 H new ATOM 0 HD11 ILE A 117 2.203 -9.335 -4.779 1.00 1.00 H new ATOM 0 HD12 ILE A 117 3.815 -9.322 -4.026 1.00 1.00 H new ATOM 0 HD13 ILE A 117 2.489 -10.240 -3.274 1.00 1.00 H new ATOM 655 N VAL A 118 2.703 -8.247 1.433 1.00 1.00 N ATOM 656 CA VAL A 118 3.210 -8.411 2.785 1.00 1.00 C ATOM 657 C VAL A 118 3.472 -9.896 3.051 1.00 1.00 C ATOM 658 O VAL A 118 2.635 -10.743 2.740 1.00 1.00 O ATOM 659 CB VAL A 118 2.236 -7.788 3.788 1.00 1.00 C ATOM 660 CG1 VAL A 118 2.375 -8.440 5.165 1.00 1.00 C ATOM 661 CG2 VAL A 118 2.436 -6.273 3.876 1.00 1.00 C ATOM 0 H VAL A 118 2.115 -9.012 1.102 1.00 1.00 H new ATOM 0 HA VAL A 118 4.158 -7.887 2.903 1.00 1.00 H new ATOM 0 HB VAL A 118 1.223 -7.973 3.431 1.00 1.00 H new ATOM 0 HG11 VAL A 118 1.672 -7.979 5.859 1.00 1.00 H new ATOM 0 HG12 VAL A 118 2.161 -9.506 5.086 1.00 1.00 H new ATOM 0 HG13 VAL A 118 3.392 -8.300 5.533 1.00 1.00 H new ATOM 0 HG21 VAL A 118 1.732 -5.854 4.595 1.00 1.00 H new ATOM 0 HG22 VAL A 118 3.455 -6.059 4.198 1.00 1.00 H new ATOM 0 HG23 VAL A 118 2.264 -5.826 2.897 1.00 1.00 H new ATOM 671 N GLU A 119 4.636 -10.165 3.622 1.00 1.00 N ATOM 672 CA GLU A 119 5.018 -11.532 3.933 1.00 1.00 C ATOM 673 C GLU A 119 4.629 -11.878 5.372 1.00 1.00 C ATOM 674 O GLU A 119 4.767 -11.051 6.271 1.00 1.00 O ATOM 675 CB GLU A 119 6.515 -11.748 3.701 1.00 1.00 C ATOM 676 CG GLU A 119 6.771 -13.065 2.965 1.00 1.00 C ATOM 677 CD GLU A 119 8.056 -12.989 2.137 1.00 1.00 C ATOM 678 OE1 GLU A 119 7.999 -13.022 0.899 1.00 1.00 O ATOM 679 OE2 GLU A 119 9.143 -12.889 2.826 1.00 1.00 O ATOM 0 H GLU A 119 5.327 -9.460 3.878 1.00 1.00 H new ATOM 0 HA GLU A 119 4.480 -12.201 3.262 1.00 1.00 H new ATOM 0 HB2 GLU A 119 6.920 -10.919 3.121 1.00 1.00 H new ATOM 0 HB3 GLU A 119 7.038 -11.754 4.657 1.00 1.00 H new ATOM 0 HG2 GLU A 119 6.846 -13.880 3.685 1.00 1.00 H new ATOM 0 HG3 GLU A 119 5.927 -13.292 2.314 1.00 1.00 H new ATOM 685 N ALA A 120 4.152 -13.102 5.544 1.00 1.00 N ATOM 686 CA ALA A 120 3.743 -13.568 6.858 1.00 1.00 C ATOM 687 C ALA A 120 3.523 -15.082 6.812 1.00 1.00 C ATOM 688 O ALA A 120 3.224 -15.637 5.756 1.00 1.00 O ATOM 689 CB ALA A 120 2.490 -12.810 7.301 1.00 1.00 C ATOM 0 H ALA A 120 4.040 -13.785 4.795 1.00 1.00 H new ATOM 0 HA ALA A 120 4.521 -13.370 7.595 1.00 1.00 H new ATOM 0 HB1 ALA A 120 2.183 -13.159 8.287 1.00 1.00 H new ATOM 0 HB2 ALA A 120 2.707 -11.743 7.346 1.00 1.00 H new ATOM 0 HB3 ALA A 120 1.686 -12.987 6.587 1.00 1.00 H new ATOM 695 N MET A 121 3.679 -15.705 7.970 1.00 1.00 N ATOM 696 CA MET A 121 3.500 -17.143 8.076 1.00 1.00 C ATOM 697 C MET A 121 4.321 -17.876 7.013 1.00 1.00 C ATOM 698 O MET A 121 3.957 -18.973 6.589 1.00 1.00 O ATOM 699 CB MET A 121 2.020 -17.488 7.907 1.00 1.00 C ATOM 700 CG MET A 121 1.202 -17.003 9.106 1.00 1.00 C ATOM 701 SD MET A 121 1.317 -18.182 10.440 1.00 1.00 S ATOM 702 CE MET A 121 0.053 -19.340 9.940 1.00 1.00 C ATOM 0 H MET A 121 3.927 -15.241 8.843 1.00 1.00 H new ATOM 0 HA MET A 121 3.845 -17.462 9.059 1.00 1.00 H new ATOM 0 HB2 MET A 121 1.639 -17.031 6.994 1.00 1.00 H new ATOM 0 HB3 MET A 121 1.905 -18.566 7.796 1.00 1.00 H new ATOM 0 HG2 MET A 121 1.567 -16.031 9.437 1.00 1.00 H new ATOM 0 HG3 MET A 121 0.160 -16.870 8.816 1.00 1.00 H new ATOM 0 HE1 MET A 121 0.305 -20.335 10.307 1.00 1.00 H new ATOM 0 HE2 MET A 121 -0.907 -19.033 10.355 1.00 1.00 H new ATOM 0 HE3 MET A 121 -0.012 -19.360 8.852 1.00 1.00 H new ATOM 710 N LYS A 122 5.413 -17.243 6.612 1.00 1.00 N ATOM 711 CA LYS A 122 6.287 -17.822 5.606 1.00 1.00 C ATOM 712 C LYS A 122 5.525 -17.949 4.286 1.00 1.00 C ATOM 713 O LYS A 122 5.612 -18.975 3.612 1.00 1.00 O ATOM 714 CB LYS A 122 6.878 -19.141 6.106 1.00 1.00 C ATOM 715 CG LYS A 122 8.126 -19.520 5.305 1.00 1.00 C ATOM 716 CD LYS A 122 8.581 -20.942 5.641 1.00 1.00 C ATOM 717 CE LYS A 122 8.257 -21.906 4.499 1.00 1.00 C ATOM 718 NZ LYS A 122 8.651 -23.287 4.859 1.00 1.00 N ATOM 0 H LYS A 122 5.713 -16.334 6.966 1.00 1.00 H new ATOM 0 HA LYS A 122 7.139 -17.169 5.419 1.00 1.00 H new ATOM 0 HB2 LYS A 122 7.132 -19.053 7.162 1.00 1.00 H new ATOM 0 HB3 LYS A 122 6.133 -19.932 6.022 1.00 1.00 H new ATOM 0 HG2 LYS A 122 7.915 -19.444 4.238 1.00 1.00 H new ATOM 0 HG3 LYS A 122 8.930 -18.816 5.522 1.00 1.00 H new ATOM 0 HD2 LYS A 122 9.654 -20.948 5.833 1.00 1.00 H new ATOM 0 HD3 LYS A 122 8.091 -21.278 6.555 1.00 1.00 H new ATOM 0 HE2 LYS A 122 7.190 -21.872 4.278 1.00 1.00 H new ATOM 0 HE3 LYS A 122 8.780 -21.596 3.594 1.00 1.00 H new ATOM 0 HZ1 LYS A 122 8.424 -23.929 4.073 1.00 1.00 H new ATOM 0 HZ2 LYS A 122 9.673 -23.318 5.048 1.00 1.00 H new ATOM 0 HZ3 LYS A 122 8.133 -23.585 5.710 1.00 1.00 H new ATOM 727 N MET A 123 4.795 -16.894 3.956 1.00 1.00 N ATOM 728 CA MET A 123 4.018 -16.876 2.729 1.00 1.00 C ATOM 729 C MET A 123 3.685 -15.441 2.312 1.00 1.00 C ATOM 730 O MET A 123 3.556 -14.559 3.159 1.00 1.00 O ATOM 731 CB MET A 123 2.721 -17.662 2.934 1.00 1.00 C ATOM 732 CG MET A 123 2.799 -19.033 2.259 1.00 1.00 C ATOM 733 SD MET A 123 3.000 -18.835 0.496 1.00 1.00 S ATOM 734 CE MET A 123 4.692 -19.374 0.316 1.00 1.00 C ATOM 0 H MET A 123 4.725 -16.045 4.517 1.00 1.00 H new ATOM 0 HA MET A 123 4.611 -17.336 1.939 1.00 1.00 H new ATOM 0 HB2 MET A 123 2.532 -17.788 4.000 1.00 1.00 H new ATOM 0 HB3 MET A 123 1.882 -17.099 2.526 1.00 1.00 H new ATOM 0 HG2 MET A 123 3.635 -19.601 2.667 1.00 1.00 H new ATOM 0 HG3 MET A 123 1.894 -19.603 2.468 1.00 1.00 H new ATOM 0 HE1 MET A 123 5.282 -18.576 -0.134 1.00 1.00 H new ATOM 0 HE2 MET A 123 5.102 -19.620 1.296 1.00 1.00 H new ATOM 0 HE3 MET A 123 4.727 -20.256 -0.324 1.00 1.00 H new ATOM 742 N MET A 124 3.556 -15.254 1.007 1.00 1.00 N ATOM 743 CA MET A 124 3.241 -13.943 0.467 1.00 1.00 C ATOM 744 C MET A 124 1.754 -13.624 0.630 1.00 1.00 C ATOM 745 O MET A 124 0.909 -14.508 0.500 1.00 1.00 O ATOM 746 CB MET A 124 3.613 -13.897 -1.017 1.00 1.00 C ATOM 747 CG MET A 124 2.550 -14.592 -1.869 1.00 1.00 C ATOM 748 SD MET A 124 2.472 -16.327 -1.455 1.00 1.00 S ATOM 749 CE MET A 124 3.979 -16.897 -2.225 1.00 1.00 C ATOM 0 H MET A 124 3.664 -15.989 0.308 1.00 1.00 H new ATOM 0 HA MET A 124 3.816 -13.198 1.018 1.00 1.00 H new ATOM 0 HB2 MET A 124 3.720 -12.861 -1.337 1.00 1.00 H new ATOM 0 HB3 MET A 124 4.579 -14.379 -1.169 1.00 1.00 H new ATOM 0 HG2 MET A 124 1.578 -14.126 -1.704 1.00 1.00 H new ATOM 0 HG3 MET A 124 2.785 -14.472 -2.927 1.00 1.00 H new ATOM 0 HE1 MET A 124 3.931 -17.977 -2.363 1.00 1.00 H new ATOM 0 HE2 MET A 124 4.098 -16.412 -3.194 1.00 1.00 H new ATOM 0 HE3 MET A 124 4.829 -16.650 -1.589 1.00 1.00 H new ATOM 757 N ASN A 125 1.478 -12.359 0.913 1.00 1.00 N ATOM 758 CA ASN A 125 0.108 -11.914 1.096 1.00 1.00 C ATOM 759 C ASN A 125 -0.073 -10.549 0.429 1.00 1.00 C ATOM 760 O ASN A 125 0.379 -9.534 0.954 1.00 1.00 O ATOM 761 CB ASN A 125 -0.229 -11.765 2.580 1.00 1.00 C ATOM 762 CG ASN A 125 -0.208 -13.121 3.288 1.00 1.00 C ATOM 763 OD1 ASN A 125 -1.222 -13.777 3.459 1.00 1.00 O ATOM 764 ND2 ASN A 125 1.001 -13.504 3.688 1.00 1.00 N ATOM 0 H ASN A 125 2.181 -11.628 1.020 1.00 1.00 H new ATOM 0 HA ASN A 125 -0.551 -12.659 0.651 1.00 1.00 H new ATOM 0 HB2 ASN A 125 0.487 -11.093 3.053 1.00 1.00 H new ATOM 0 HB3 ASN A 125 -1.213 -11.310 2.689 1.00 1.00 H new ATOM 0 HD21 ASN A 125 1.120 -14.395 4.170 1.00 1.00 H new ATOM 0 HD22 ASN A 125 1.809 -12.907 3.513 1.00 1.00 H new ATOM 770 N GLN A 126 -0.737 -10.570 -0.718 1.00 1.00 N ATOM 771 CA GLN A 126 -0.983 -9.347 -1.461 1.00 1.00 C ATOM 772 C GLN A 126 -2.021 -8.485 -0.737 1.00 1.00 C ATOM 773 O GLN A 126 -2.863 -9.004 -0.007 1.00 1.00 O ATOM 774 CB GLN A 126 -1.430 -9.655 -2.892 1.00 1.00 C ATOM 775 CG GLN A 126 -0.262 -10.181 -3.729 1.00 1.00 C ATOM 776 CD GLN A 126 -0.740 -11.223 -4.742 1.00 1.00 C ATOM 777 OE1 GLN A 126 -1.923 -11.460 -4.918 1.00 1.00 O ATOM 778 NE2 GLN A 126 0.245 -11.830 -5.398 1.00 1.00 N ATOM 0 H GLN A 126 -1.112 -11.415 -1.150 1.00 1.00 H new ATOM 0 HA GLN A 126 -0.050 -8.787 -1.519 1.00 1.00 H new ATOM 0 HB2 GLN A 126 -2.232 -10.393 -2.876 1.00 1.00 H new ATOM 0 HB3 GLN A 126 -1.835 -8.754 -3.352 1.00 1.00 H new ATOM 0 HG2 GLN A 126 0.217 -9.353 -4.252 1.00 1.00 H new ATOM 0 HG3 GLN A 126 0.489 -10.623 -3.074 1.00 1.00 H new ATOM 0 HE21 GLN A 126 1.215 -11.584 -5.202 1.00 1.00 H new ATOM 0 HE22 GLN A 126 0.030 -12.541 -6.097 1.00 1.00 H new ATOM 785 N ILE A 127 -1.924 -7.184 -0.965 1.00 1.00 N ATOM 786 CA ILE A 127 -2.843 -6.245 -0.343 1.00 1.00 C ATOM 787 C ILE A 127 -3.623 -5.505 -1.432 1.00 1.00 C ATOM 788 O ILE A 127 -3.037 -4.781 -2.237 1.00 1.00 O ATOM 789 CB ILE A 127 -2.096 -5.319 0.616 1.00 1.00 C ATOM 790 CG1 ILE A 127 -0.989 -6.073 1.357 1.00 1.00 C ATOM 791 CG2 ILE A 127 -3.064 -4.630 1.581 1.00 1.00 C ATOM 792 CD1 ILE A 127 -0.568 -5.325 2.623 1.00 1.00 C ATOM 0 H ILE A 127 -1.224 -6.757 -1.572 1.00 1.00 H new ATOM 0 HA ILE A 127 -3.573 -6.775 0.269 1.00 1.00 H new ATOM 0 HB ILE A 127 -1.616 -4.537 0.028 1.00 1.00 H new ATOM 0 HG12 ILE A 127 -1.338 -7.072 1.620 1.00 1.00 H new ATOM 0 HG13 ILE A 127 -0.128 -6.198 0.701 1.00 1.00 H new ATOM 0 HG21 ILE A 127 -2.506 -3.977 2.252 1.00 1.00 H new ATOM 0 HG22 ILE A 127 -3.783 -4.039 1.014 1.00 1.00 H new ATOM 0 HG23 ILE A 127 -3.593 -5.383 2.165 1.00 1.00 H new ATOM 0 HD11 ILE A 127 0.219 -5.882 3.130 1.00 1.00 H new ATOM 0 HD12 ILE A 127 -0.197 -4.336 2.355 1.00 1.00 H new ATOM 0 HD13 ILE A 127 -1.426 -5.223 3.288 1.00 1.00 H new ATOM 803 N GLU A 128 -4.931 -5.711 -1.422 1.00 1.00 N ATOM 804 CA GLU A 128 -5.797 -5.071 -2.399 1.00 1.00 C ATOM 805 C GLU A 128 -6.383 -3.780 -1.824 1.00 1.00 C ATOM 806 O GLU A 128 -7.037 -3.802 -0.782 1.00 1.00 O ATOM 807 CB GLU A 128 -6.906 -6.021 -2.855 1.00 1.00 C ATOM 808 CG GLU A 128 -8.044 -5.253 -3.531 1.00 1.00 C ATOM 809 CD GLU A 128 -9.172 -6.199 -3.947 1.00 1.00 C ATOM 810 OE1 GLU A 128 -9.051 -6.899 -4.963 1.00 1.00 O ATOM 811 OE2 GLU A 128 -10.204 -6.191 -3.173 1.00 1.00 O ATOM 0 H GLU A 128 -5.413 -6.312 -0.753 1.00 1.00 H new ATOM 0 HA GLU A 128 -5.199 -4.817 -3.274 1.00 1.00 H new ATOM 0 HB2 GLU A 128 -6.497 -6.757 -3.548 1.00 1.00 H new ATOM 0 HB3 GLU A 128 -7.293 -6.571 -1.998 1.00 1.00 H new ATOM 0 HG2 GLU A 128 -8.432 -4.496 -2.849 1.00 1.00 H new ATOM 0 HG3 GLU A 128 -7.663 -4.728 -4.407 1.00 1.00 H new ATOM 817 N ALA A 129 -6.130 -2.687 -2.528 1.00 1.00 N ATOM 818 CA ALA A 129 -6.624 -1.389 -2.100 1.00 1.00 C ATOM 819 C ALA A 129 -8.050 -1.542 -1.567 1.00 1.00 C ATOM 820 O ALA A 129 -8.887 -2.189 -2.197 1.00 1.00 O ATOM 821 CB ALA A 129 -6.542 -0.402 -3.265 1.00 1.00 C ATOM 0 H ALA A 129 -5.589 -2.673 -3.393 1.00 1.00 H new ATOM 0 HA ALA A 129 -6.009 -0.992 -1.292 1.00 1.00 H new ATOM 0 HB1 ALA A 129 -6.913 0.571 -2.944 1.00 1.00 H new ATOM 0 HB2 ALA A 129 -5.506 -0.307 -3.589 1.00 1.00 H new ATOM 0 HB3 ALA A 129 -7.149 -0.766 -4.094 1.00 1.00 H new ATOM 827 N ASP A 130 -8.284 -0.938 -0.411 1.00 1.00 N ATOM 828 CA ASP A 130 -9.594 -0.999 0.214 1.00 1.00 C ATOM 829 C ASP A 130 -10.290 0.355 0.065 1.00 1.00 C ATOM 830 O ASP A 130 -11.277 0.628 0.745 1.00 1.00 O ATOM 831 CB ASP A 130 -9.477 -1.308 1.708 1.00 1.00 C ATOM 832 CG ASP A 130 -10.520 -2.289 2.248 1.00 1.00 C ATOM 833 OD1 ASP A 130 -11.146 -2.045 3.291 1.00 1.00 O ATOM 834 OD2 ASP A 130 -10.682 -3.358 1.544 1.00 1.00 O ATOM 0 H ASP A 130 -7.588 -0.404 0.109 1.00 1.00 H new ATOM 0 HA ASP A 130 -10.164 -1.789 -0.275 1.00 1.00 H new ATOM 0 HB2 ASP A 130 -8.484 -1.713 1.904 1.00 1.00 H new ATOM 0 HB3 ASP A 130 -9.556 -0.374 2.264 1.00 1.00 H new ATOM 839 N LYS A 131 -9.747 1.167 -0.830 1.00 1.00 N ATOM 840 CA LYS A 131 -10.303 2.487 -1.079 1.00 1.00 C ATOM 841 C LYS A 131 -9.448 3.208 -2.122 1.00 1.00 C ATOM 842 O LYS A 131 -8.301 3.562 -1.853 1.00 1.00 O ATOM 843 CB LYS A 131 -10.454 3.259 0.234 1.00 1.00 C ATOM 844 CG LYS A 131 -11.827 3.930 0.321 1.00 1.00 C ATOM 845 CD LYS A 131 -11.729 5.294 1.006 1.00 1.00 C ATOM 846 CE LYS A 131 -13.101 5.765 1.490 1.00 1.00 C ATOM 847 NZ LYS A 131 -13.058 6.092 2.932 1.00 1.00 N ATOM 0 H LYS A 131 -8.928 0.937 -1.392 1.00 1.00 H new ATOM 0 HA LYS A 131 -11.308 2.406 -1.493 1.00 1.00 H new ATOM 0 HB2 LYS A 131 -10.323 2.580 1.076 1.00 1.00 H new ATOM 0 HB3 LYS A 131 -9.671 4.014 0.308 1.00 1.00 H new ATOM 0 HG2 LYS A 131 -12.241 4.051 -0.680 1.00 1.00 H new ATOM 0 HG3 LYS A 131 -12.514 3.290 0.874 1.00 1.00 H new ATOM 0 HD2 LYS A 131 -11.043 5.232 1.851 1.00 1.00 H new ATOM 0 HD3 LYS A 131 -11.314 6.025 0.312 1.00 1.00 H new ATOM 0 HE2 LYS A 131 -13.412 6.641 0.922 1.00 1.00 H new ATOM 0 HE3 LYS A 131 -13.843 4.988 1.309 1.00 1.00 H new ATOM 0 HZ1 LYS A 131 -13.998 6.410 3.244 1.00 1.00 H new ATOM 0 HZ2 LYS A 131 -12.782 5.247 3.472 1.00 1.00 H new ATOM 0 HZ3 LYS A 131 -12.364 6.849 3.096 1.00 1.00 H new ATOM 856 N SER A 132 -10.040 3.404 -3.291 1.00 1.00 N ATOM 857 CA SER A 132 -9.346 4.077 -4.376 1.00 1.00 C ATOM 858 C SER A 132 -8.540 5.258 -3.830 1.00 1.00 C ATOM 859 O SER A 132 -8.804 5.738 -2.730 1.00 1.00 O ATOM 860 CB SER A 132 -10.330 4.556 -5.447 1.00 1.00 C ATOM 861 OG SER A 132 -11.183 5.590 -4.962 1.00 1.00 O ATOM 0 H SER A 132 -10.991 3.109 -3.510 1.00 1.00 H new ATOM 0 HA SER A 132 -8.665 3.364 -4.840 1.00 1.00 H new ATOM 0 HB2 SER A 132 -9.776 4.919 -6.313 1.00 1.00 H new ATOM 0 HB3 SER A 132 -10.935 3.715 -5.786 1.00 1.00 H new ATOM 0 HG SER A 132 -11.795 5.870 -5.674 1.00 1.00 H new ATOM 866 N GLY A 133 -7.574 5.692 -4.626 1.00 1.00 N ATOM 867 CA GLY A 133 -6.728 6.806 -4.237 1.00 1.00 C ATOM 868 C GLY A 133 -5.717 7.139 -5.336 1.00 1.00 C ATOM 869 O GLY A 133 -5.775 6.575 -6.428 1.00 1.00 O ATOM 0 H GLY A 133 -7.359 5.292 -5.539 1.00 1.00 H new ATOM 0 HA2 GLY A 133 -7.345 7.680 -4.029 1.00 1.00 H new ATOM 0 HA3 GLY A 133 -6.200 6.562 -3.315 1.00 1.00 H new ATOM 873 N THR A 134 -4.814 8.052 -5.009 1.00 1.00 N ATOM 874 CA THR A 134 -3.792 8.466 -5.956 1.00 1.00 C ATOM 875 C THR A 134 -2.443 8.617 -5.252 1.00 1.00 C ATOM 876 O THR A 134 -1.828 9.682 -5.301 1.00 1.00 O ATOM 877 CB THR A 134 -4.270 9.750 -6.636 1.00 1.00 C ATOM 878 OG1 THR A 134 -5.208 9.300 -7.610 1.00 1.00 O ATOM 879 CG2 THR A 134 -3.169 10.421 -7.462 1.00 1.00 C ATOM 0 H THR A 134 -4.769 8.517 -4.102 1.00 1.00 H new ATOM 0 HA THR A 134 -3.638 7.711 -6.727 1.00 1.00 H new ATOM 0 HB THR A 134 -4.633 10.446 -5.880 1.00 1.00 H new ATOM 0 HG1 THR A 134 -5.569 10.070 -8.097 1.00 1.00 H new ATOM 0 HG21 THR A 134 -3.561 11.327 -7.923 1.00 1.00 H new ATOM 0 HG22 THR A 134 -2.332 10.677 -6.813 1.00 1.00 H new ATOM 0 HG23 THR A 134 -2.829 9.737 -8.239 1.00 1.00 H new ATOM 887 N VAL A 135 -2.022 7.537 -4.611 1.00 1.00 N ATOM 888 CA VAL A 135 -0.756 7.536 -3.897 1.00 1.00 C ATOM 889 C VAL A 135 -0.699 8.749 -2.967 1.00 1.00 C ATOM 890 O VAL A 135 -1.624 9.560 -2.942 1.00 1.00 O ATOM 891 CB VAL A 135 0.406 7.490 -4.892 1.00 1.00 C ATOM 892 CG1 VAL A 135 0.601 8.846 -5.570 1.00 1.00 C ATOM 893 CG2 VAL A 135 1.695 7.029 -4.208 1.00 1.00 C ATOM 0 H VAL A 135 -2.535 6.656 -4.571 1.00 1.00 H new ATOM 0 HA VAL A 135 -0.669 6.645 -3.275 1.00 1.00 H new ATOM 0 HB VAL A 135 0.157 6.762 -5.664 1.00 1.00 H new ATOM 0 HG11 VAL A 135 1.433 8.786 -6.272 1.00 1.00 H new ATOM 0 HG12 VAL A 135 -0.308 9.118 -6.107 1.00 1.00 H new ATOM 0 HG13 VAL A 135 0.817 9.602 -4.815 1.00 1.00 H new ATOM 0 HG21 VAL A 135 2.505 7.005 -4.937 1.00 1.00 H new ATOM 0 HG22 VAL A 135 1.949 7.722 -3.406 1.00 1.00 H new ATOM 0 HG23 VAL A 135 1.550 6.031 -3.793 1.00 1.00 H new ATOM 903 N LYS A 136 0.395 8.836 -2.226 1.00 1.00 N ATOM 904 CA LYS A 136 0.586 9.937 -1.297 1.00 1.00 C ATOM 905 C LYS A 136 2.046 9.970 -0.844 1.00 1.00 C ATOM 906 O LYS A 136 2.677 11.026 -0.848 1.00 1.00 O ATOM 907 CB LYS A 136 -0.414 9.843 -0.143 1.00 1.00 C ATOM 908 CG LYS A 136 -1.126 11.179 0.077 1.00 1.00 C ATOM 909 CD LYS A 136 -0.205 12.183 0.773 1.00 1.00 C ATOM 910 CE LYS A 136 -0.761 12.580 2.141 1.00 1.00 C ATOM 911 NZ LYS A 136 -1.677 13.735 2.013 1.00 1.00 N ATOM 0 H LYS A 136 1.160 8.161 -2.250 1.00 1.00 H new ATOM 0 HA LYS A 136 0.383 10.889 -1.788 1.00 1.00 H new ATOM 0 HB2 LYS A 136 -1.149 9.066 -0.356 1.00 1.00 H new ATOM 0 HB3 LYS A 136 0.105 9.549 0.769 1.00 1.00 H new ATOM 0 HG2 LYS A 136 -1.453 11.583 -0.881 1.00 1.00 H new ATOM 0 HG3 LYS A 136 -2.021 11.023 0.679 1.00 1.00 H new ATOM 0 HD2 LYS A 136 0.788 11.749 0.892 1.00 1.00 H new ATOM 0 HD3 LYS A 136 -0.092 13.071 0.151 1.00 1.00 H new ATOM 0 HE2 LYS A 136 -1.290 11.736 2.584 1.00 1.00 H new ATOM 0 HE3 LYS A 136 0.059 12.831 2.814 1.00 1.00 H new ATOM 0 HZ1 LYS A 136 -2.045 13.991 2.951 1.00 1.00 H new ATOM 0 HZ2 LYS A 136 -1.162 14.544 1.610 1.00 1.00 H new ATOM 0 HZ3 LYS A 136 -2.469 13.483 1.387 1.00 1.00 H new ATOM 920 N ALA A 137 2.542 8.802 -0.464 1.00 1.00 N ATOM 921 CA ALA A 137 3.916 8.683 -0.009 1.00 1.00 C ATOM 922 C ALA A 137 4.133 7.293 0.591 1.00 1.00 C ATOM 923 O ALA A 137 3.323 6.825 1.391 1.00 1.00 O ATOM 924 CB ALA A 137 4.222 9.803 0.988 1.00 1.00 C ATOM 0 H ALA A 137 2.016 7.928 -0.462 1.00 1.00 H new ATOM 0 HA ALA A 137 4.607 8.792 -0.845 1.00 1.00 H new ATOM 0 HB1 ALA A 137 5.253 9.714 1.330 1.00 1.00 H new ATOM 0 HB2 ALA A 137 4.082 10.769 0.504 1.00 1.00 H new ATOM 0 HB3 ALA A 137 3.549 9.724 1.842 1.00 1.00 H new ATOM 930 N ILE A 138 5.228 6.671 0.183 1.00 1.00 N ATOM 931 CA ILE A 138 5.561 5.343 0.670 1.00 1.00 C ATOM 932 C ILE A 138 6.567 5.463 1.818 1.00 1.00 C ATOM 933 O ILE A 138 7.615 6.088 1.668 1.00 1.00 O ATOM 934 CB ILE A 138 6.045 4.456 -0.479 1.00 1.00 C ATOM 935 CG1 ILE A 138 5.383 4.859 -1.799 1.00 1.00 C ATOM 936 CG2 ILE A 138 5.826 2.976 -0.158 1.00 1.00 C ATOM 937 CD1 ILE A 138 5.588 3.784 -2.866 1.00 1.00 C ATOM 0 H ILE A 138 5.897 7.062 -0.480 1.00 1.00 H new ATOM 0 HA ILE A 138 4.674 4.852 1.071 1.00 1.00 H new ATOM 0 HB ILE A 138 7.118 4.605 -0.597 1.00 1.00 H new ATOM 0 HG12 ILE A 138 4.317 5.020 -1.641 1.00 1.00 H new ATOM 0 HG13 ILE A 138 5.800 5.804 -2.145 1.00 1.00 H new ATOM 0 HG21 ILE A 138 6.178 2.367 -0.991 1.00 1.00 H new ATOM 0 HG22 ILE A 138 6.380 2.713 0.743 1.00 1.00 H new ATOM 0 HG23 ILE A 138 4.764 2.792 0.002 1.00 1.00 H new ATOM 0 HD11 ILE A 138 5.108 4.096 -3.794 1.00 1.00 H new ATOM 0 HD12 ILE A 138 6.655 3.642 -3.040 1.00 1.00 H new ATOM 0 HD13 ILE A 138 5.148 2.846 -2.527 1.00 1.00 H new ATOM 948 N LEU A 139 6.211 4.853 2.939 1.00 1.00 N ATOM 949 CA LEU A 139 7.068 4.885 4.112 1.00 1.00 C ATOM 950 C LEU A 139 7.906 3.605 4.160 1.00 1.00 C ATOM 951 O LEU A 139 9.105 3.654 4.425 1.00 1.00 O ATOM 952 CB LEU A 139 6.239 5.125 5.376 1.00 1.00 C ATOM 953 CG LEU A 139 4.826 5.668 5.157 1.00 1.00 C ATOM 954 CD1 LEU A 139 4.083 5.815 6.488 1.00 1.00 C ATOM 955 CD2 LEU A 139 4.858 6.979 4.371 1.00 1.00 C ATOM 0 H LEU A 139 5.341 4.334 3.060 1.00 1.00 H new ATOM 0 HA LEU A 139 7.764 5.721 4.052 1.00 1.00 H new ATOM 0 HB2 LEU A 139 6.165 4.185 5.922 1.00 1.00 H new ATOM 0 HB3 LEU A 139 6.780 5.823 6.015 1.00 1.00 H new ATOM 0 HG LEU A 139 4.272 4.947 4.556 1.00 1.00 H new ATOM 0 HD11 LEU A 139 3.081 6.203 6.304 1.00 1.00 H new ATOM 0 HD12 LEU A 139 4.012 4.842 6.975 1.00 1.00 H new ATOM 0 HD13 LEU A 139 4.626 6.505 7.134 1.00 1.00 H new ATOM 0 HD21 LEU A 139 3.840 7.343 4.229 1.00 1.00 H new ATOM 0 HD22 LEU A 139 5.435 7.720 4.923 1.00 1.00 H new ATOM 0 HD23 LEU A 139 5.321 6.809 3.399 1.00 1.00 H new ATOM 966 N VAL A 140 7.239 2.490 3.900 1.00 1.00 N ATOM 967 CA VAL A 140 7.908 1.200 3.909 1.00 1.00 C ATOM 968 C VAL A 140 8.668 1.013 2.595 1.00 1.00 C ATOM 969 O VAL A 140 8.420 1.727 1.624 1.00 1.00 O ATOM 970 CB VAL A 140 6.891 0.086 4.175 1.00 1.00 C ATOM 971 CG1 VAL A 140 5.827 0.043 3.078 1.00 1.00 C ATOM 972 CG2 VAL A 140 7.588 -1.269 4.317 1.00 1.00 C ATOM 0 H VAL A 140 6.243 2.453 3.682 1.00 1.00 H new ATOM 0 HA VAL A 140 8.640 1.156 4.716 1.00 1.00 H new ATOM 0 HB VAL A 140 6.391 0.306 5.118 1.00 1.00 H new ATOM 0 HG11 VAL A 140 5.117 -0.756 3.291 1.00 1.00 H new ATOM 0 HG12 VAL A 140 5.300 0.997 3.045 1.00 1.00 H new ATOM 0 HG13 VAL A 140 6.304 -0.142 2.116 1.00 1.00 H new ATOM 0 HG21 VAL A 140 6.844 -2.043 4.505 1.00 1.00 H new ATOM 0 HG22 VAL A 140 8.126 -1.499 3.398 1.00 1.00 H new ATOM 0 HG23 VAL A 140 8.291 -1.231 5.149 1.00 1.00 H new ATOM 982 N GLU A 141 9.578 0.050 2.606 1.00 1.00 N ATOM 983 CA GLU A 141 10.377 -0.238 1.427 1.00 1.00 C ATOM 984 C GLU A 141 10.057 -1.638 0.898 1.00 1.00 C ATOM 985 O GLU A 141 9.323 -2.392 1.535 1.00 1.00 O ATOM 986 CB GLU A 141 11.870 -0.094 1.726 1.00 1.00 C ATOM 987 CG GLU A 141 12.462 1.111 0.993 1.00 1.00 C ATOM 988 CD GLU A 141 13.667 1.675 1.749 1.00 1.00 C ATOM 989 OE1 GLU A 141 14.807 1.253 1.504 1.00 1.00 O ATOM 990 OE2 GLU A 141 13.388 2.586 2.619 1.00 1.00 O ATOM 0 H GLU A 141 9.780 -0.541 3.413 1.00 1.00 H new ATOM 0 HA GLU A 141 10.123 0.489 0.655 1.00 1.00 H new ATOM 0 HB2 GLU A 141 12.020 0.019 2.800 1.00 1.00 H new ATOM 0 HB3 GLU A 141 12.394 -1.001 1.425 1.00 1.00 H new ATOM 0 HG2 GLU A 141 12.764 0.817 -0.012 1.00 1.00 H new ATOM 0 HG3 GLU A 141 11.702 1.885 0.884 1.00 1.00 H new ATOM 996 N SER A 142 10.621 -1.942 -0.261 1.00 1.00 N ATOM 997 CA SER A 142 10.405 -3.237 -0.882 1.00 1.00 C ATOM 998 C SER A 142 11.351 -4.274 -0.273 1.00 1.00 C ATOM 999 O SER A 142 12.532 -4.317 -0.612 1.00 1.00 O ATOM 1000 CB SER A 142 10.606 -3.162 -2.397 1.00 1.00 C ATOM 1001 OG SER A 142 10.782 -4.452 -2.977 1.00 1.00 O ATOM 0 H SER A 142 11.228 -1.313 -0.787 1.00 1.00 H new ATOM 0 HA SER A 142 9.375 -3.539 -0.693 1.00 1.00 H new ATOM 0 HB2 SER A 142 9.745 -2.674 -2.853 1.00 1.00 H new ATOM 0 HB3 SER A 142 11.476 -2.544 -2.617 1.00 1.00 H new ATOM 0 HG SER A 142 10.906 -4.361 -3.945 1.00 1.00 H new ATOM 1006 N GLY A 143 10.796 -5.084 0.618 1.00 1.00 N ATOM 1007 CA GLY A 143 11.575 -6.117 1.278 1.00 1.00 C ATOM 1008 C GLY A 143 11.716 -5.826 2.772 1.00 1.00 C ATOM 1009 O GLY A 143 11.979 -6.731 3.563 1.00 1.00 O ATOM 0 H GLY A 143 9.816 -5.045 0.898 1.00 1.00 H new ATOM 0 HA2 GLY A 143 11.096 -7.086 1.136 1.00 1.00 H new ATOM 0 HA3 GLY A 143 12.563 -6.180 0.821 1.00 1.00 H new ATOM 1013 N GLN A 144 11.538 -4.559 3.116 1.00 1.00 N ATOM 1014 CA GLN A 144 11.642 -4.137 4.503 1.00 1.00 C ATOM 1015 C GLN A 144 10.573 -4.829 5.350 1.00 1.00 C ATOM 1016 O GLN A 144 9.501 -5.166 4.849 1.00 1.00 O ATOM 1017 CB GLN A 144 11.537 -2.616 4.621 1.00 1.00 C ATOM 1018 CG GLN A 144 12.900 -1.953 4.409 1.00 1.00 C ATOM 1019 CD GLN A 144 12.966 -0.596 5.112 1.00 1.00 C ATOM 1020 OE1 GLN A 144 12.102 -0.229 5.893 1.00 1.00 O ATOM 1021 NE2 GLN A 144 14.037 0.126 4.794 1.00 1.00 N ATOM 0 H GLN A 144 11.322 -3.810 2.458 1.00 1.00 H new ATOM 0 HA GLN A 144 12.621 -4.431 4.880 1.00 1.00 H new ATOM 0 HB2 GLN A 144 10.827 -2.239 3.885 1.00 1.00 H new ATOM 0 HB3 GLN A 144 11.148 -2.350 5.604 1.00 1.00 H new ATOM 0 HG2 GLN A 144 13.688 -2.603 4.791 1.00 1.00 H new ATOM 0 HG3 GLN A 144 13.083 -1.823 3.342 1.00 1.00 H new ATOM 0 HE21 GLN A 144 14.722 -0.241 4.133 1.00 1.00 H new ATOM 0 HE22 GLN A 144 14.174 1.047 5.211 1.00 1.00 H new ATOM 1028 N PRO A 145 10.911 -5.025 6.653 1.00 1.00 N ATOM 1029 CA PRO A 145 9.992 -5.671 7.575 1.00 1.00 C ATOM 1030 C PRO A 145 8.860 -4.722 7.975 1.00 1.00 C ATOM 1031 O PRO A 145 8.936 -3.520 7.728 1.00 1.00 O ATOM 1032 CB PRO A 145 10.853 -6.098 8.753 1.00 1.00 C ATOM 1033 CG PRO A 145 12.125 -5.271 8.661 1.00 1.00 C ATOM 1034 CD PRO A 145 12.171 -4.639 7.280 1.00 1.00 C ATOM 0 HA PRO A 145 9.488 -6.531 7.134 1.00 1.00 H new ATOM 0 HB2 PRO A 145 10.339 -5.920 9.697 1.00 1.00 H new ATOM 0 HB3 PRO A 145 11.076 -7.164 8.708 1.00 1.00 H new ATOM 0 HG2 PRO A 145 12.137 -4.502 9.433 1.00 1.00 H new ATOM 0 HG3 PRO A 145 13.001 -5.899 8.823 1.00 1.00 H new ATOM 0 HD2 PRO A 145 12.266 -3.555 7.344 1.00 1.00 H new ATOM 0 HD3 PRO A 145 13.025 -5.000 6.707 1.00 1.00 H new ATOM 1039 N VAL A 146 7.836 -5.299 8.586 1.00 1.00 N ATOM 1040 CA VAL A 146 6.689 -4.521 9.022 1.00 1.00 C ATOM 1041 C VAL A 146 6.168 -5.086 10.344 1.00 1.00 C ATOM 1042 O VAL A 146 6.431 -6.241 10.677 1.00 1.00 O ATOM 1043 CB VAL A 146 5.625 -4.494 7.922 1.00 1.00 C ATOM 1044 CG1 VAL A 146 6.171 -3.846 6.648 1.00 1.00 C ATOM 1045 CG2 VAL A 146 5.094 -5.900 7.639 1.00 1.00 C ATOM 0 H VAL A 146 7.777 -6.297 8.790 1.00 1.00 H new ATOM 0 HA VAL A 146 6.977 -3.485 9.202 1.00 1.00 H new ATOM 0 HB VAL A 146 4.792 -3.887 8.276 1.00 1.00 H new ATOM 0 HG11 VAL A 146 5.395 -3.839 5.882 1.00 1.00 H new ATOM 0 HG12 VAL A 146 6.478 -2.822 6.863 1.00 1.00 H new ATOM 0 HG13 VAL A 146 7.030 -4.414 6.290 1.00 1.00 H new ATOM 0 HG21 VAL A 146 4.340 -5.853 6.854 1.00 1.00 H new ATOM 0 HG22 VAL A 146 5.915 -6.541 7.316 1.00 1.00 H new ATOM 0 HG23 VAL A 146 4.649 -6.310 8.546 1.00 1.00 H new ATOM 1055 N GLU A 147 5.438 -4.246 11.064 1.00 1.00 N ATOM 1056 CA GLU A 147 4.878 -4.648 12.343 1.00 1.00 C ATOM 1057 C GLU A 147 3.408 -4.230 12.433 1.00 1.00 C ATOM 1058 O GLU A 147 2.947 -3.395 11.656 1.00 1.00 O ATOM 1059 CB GLU A 147 5.685 -4.062 13.504 1.00 1.00 C ATOM 1060 CG GLU A 147 6.360 -5.170 14.315 1.00 1.00 C ATOM 1061 CD GLU A 147 5.532 -5.524 15.553 1.00 1.00 C ATOM 1062 OE1 GLU A 147 4.789 -4.673 16.066 1.00 1.00 O ATOM 1063 OE2 GLU A 147 5.680 -6.732 15.981 1.00 1.00 O ATOM 0 H GLU A 147 5.222 -3.289 10.786 1.00 1.00 H new ATOM 0 HA GLU A 147 4.933 -5.734 12.416 1.00 1.00 H new ATOM 0 HB2 GLU A 147 6.440 -3.377 13.118 1.00 1.00 H new ATOM 0 HB3 GLU A 147 5.028 -3.481 14.151 1.00 1.00 H new ATOM 0 HG2 GLU A 147 6.487 -6.056 13.692 1.00 1.00 H new ATOM 0 HG3 GLU A 147 7.356 -4.848 14.619 1.00 1.00 H new ATOM 1069 N PHE A 148 2.713 -4.832 13.387 1.00 1.00 N ATOM 1070 CA PHE A 148 1.305 -4.534 13.588 1.00 1.00 C ATOM 1071 C PHE A 148 1.105 -3.066 13.970 1.00 1.00 C ATOM 1072 O PHE A 148 1.830 -2.534 14.809 1.00 1.00 O ATOM 1073 CB PHE A 148 0.820 -5.419 14.738 1.00 1.00 C ATOM 1074 CG PHE A 148 -0.694 -5.383 14.956 1.00 1.00 C ATOM 1075 CD1 PHE A 148 -1.256 -4.361 15.656 1.00 1.00 C ATOM 1076 CD2 PHE A 148 -1.477 -6.372 14.449 1.00 1.00 C ATOM 1077 CE1 PHE A 148 -2.660 -4.328 15.859 1.00 1.00 C ATOM 1078 CE2 PHE A 148 -2.881 -6.339 14.652 1.00 1.00 C ATOM 1079 CZ PHE A 148 -3.445 -5.318 15.352 1.00 1.00 C ATOM 0 H PHE A 148 3.098 -5.524 14.029 1.00 1.00 H new ATOM 0 HA PHE A 148 0.750 -4.721 12.669 1.00 1.00 H new ATOM 0 HB2 PHE A 148 1.124 -6.448 14.544 1.00 1.00 H new ATOM 0 HB3 PHE A 148 1.316 -5.107 15.657 1.00 1.00 H new ATOM 0 HD1 PHE A 148 -0.634 -3.575 16.057 1.00 1.00 H new ATOM 0 HD2 PHE A 148 -1.031 -7.182 13.892 1.00 1.00 H new ATOM 0 HE1 PHE A 148 -3.106 -3.517 16.416 1.00 1.00 H new ATOM 0 HE2 PHE A 148 -3.503 -7.125 14.250 1.00 1.00 H new ATOM 0 HZ PHE A 148 -4.514 -5.293 15.505 1.00 1.00 H new ATOM 1088 N ASP A 149 0.117 -2.452 13.335 1.00 1.00 N ATOM 1089 CA ASP A 149 -0.188 -1.057 13.598 1.00 1.00 C ATOM 1090 C ASP A 149 0.876 -0.174 12.943 1.00 1.00 C ATOM 1091 O ASP A 149 0.858 1.046 13.098 1.00 1.00 O ATOM 1092 CB ASP A 149 -0.185 -0.765 15.100 1.00 1.00 C ATOM 1093 CG ASP A 149 -0.942 0.498 15.516 1.00 1.00 C ATOM 1094 OD1 ASP A 149 -2.160 0.463 15.751 1.00 1.00 O ATOM 1095 OD2 ASP A 149 -0.222 1.565 15.597 1.00 1.00 O ATOM 0 H ASP A 149 -0.482 -2.896 12.639 1.00 1.00 H new ATOM 0 HA ASP A 149 -1.177 -0.847 13.192 1.00 1.00 H new ATOM 0 HB2 ASP A 149 -0.619 -1.618 15.621 1.00 1.00 H new ATOM 0 HB3 ASP A 149 0.848 -0.678 15.436 1.00 1.00 H new ATOM 1100 N GLU A 150 1.778 -0.825 12.223 1.00 1.00 N ATOM 1101 CA GLU A 150 2.847 -0.115 11.543 1.00 1.00 C ATOM 1102 C GLU A 150 2.375 0.369 10.171 1.00 1.00 C ATOM 1103 O GLU A 150 1.717 -0.371 9.440 1.00 1.00 O ATOM 1104 CB GLU A 150 4.094 -0.993 11.416 1.00 1.00 C ATOM 1105 CG GLU A 150 5.361 -0.139 11.340 1.00 1.00 C ATOM 1106 CD GLU A 150 5.449 0.817 12.530 1.00 1.00 C ATOM 1107 OE1 GLU A 150 6.132 1.848 12.448 1.00 1.00 O ATOM 1108 OE2 GLU A 150 4.773 0.458 13.570 1.00 1.00 O ATOM 0 H GLU A 150 1.790 -1.837 12.096 1.00 1.00 H new ATOM 0 HA GLU A 150 3.115 0.756 12.141 1.00 1.00 H new ATOM 0 HB2 GLU A 150 4.157 -1.667 12.270 1.00 1.00 H new ATOM 0 HB3 GLU A 150 4.016 -1.615 10.524 1.00 1.00 H new ATOM 0 HG2 GLU A 150 6.239 -0.785 11.322 1.00 1.00 H new ATOM 0 HG3 GLU A 150 5.365 0.430 10.410 1.00 1.00 H new ATOM 1114 N PRO A 151 2.738 1.641 9.854 1.00 1.00 N ATOM 1115 CA PRO A 151 2.358 2.232 8.582 1.00 1.00 C ATOM 1116 C PRO A 151 3.207 1.669 7.440 1.00 1.00 C ATOM 1117 O PRO A 151 4.349 1.267 7.651 1.00 1.00 O ATOM 1118 CB PRO A 151 2.540 3.729 8.775 1.00 1.00 C ATOM 1119 CG PRO A 151 3.452 3.886 9.981 1.00 1.00 C ATOM 1120 CD PRO A 151 3.516 2.546 10.694 1.00 1.00 C ATOM 0 HA PRO A 151 1.330 2.001 8.301 1.00 1.00 H new ATOM 0 HB2 PRO A 151 2.981 4.186 7.889 1.00 1.00 H new ATOM 0 HB3 PRO A 151 1.582 4.220 8.943 1.00 1.00 H new ATOM 0 HG2 PRO A 151 4.448 4.200 9.668 1.00 1.00 H new ATOM 0 HG3 PRO A 151 3.070 4.657 10.650 1.00 1.00 H new ATOM 0 HD2 PRO A 151 4.545 2.202 10.799 1.00 1.00 H new ATOM 0 HD3 PRO A 151 3.098 2.612 11.698 1.00 1.00 H new ATOM 1125 N LEU A 152 2.613 1.658 6.255 1.00 1.00 N ATOM 1126 CA LEU A 152 3.300 1.150 5.080 1.00 1.00 C ATOM 1127 C LEU A 152 3.395 2.260 4.032 1.00 1.00 C ATOM 1128 O LEU A 152 4.450 2.870 3.860 1.00 1.00 O ATOM 1129 CB LEU A 152 2.620 -0.122 4.569 1.00 1.00 C ATOM 1130 CG LEU A 152 2.414 -1.233 5.601 1.00 1.00 C ATOM 1131 CD1 LEU A 152 1.755 -2.458 4.964 1.00 1.00 C ATOM 1132 CD2 LEU A 152 3.731 -1.586 6.296 1.00 1.00 C ATOM 0 H LEU A 152 1.665 1.992 6.084 1.00 1.00 H new ATOM 0 HA LEU A 152 4.320 0.859 5.331 1.00 1.00 H new ATOM 0 HB2 LEU A 152 1.648 0.150 4.158 1.00 1.00 H new ATOM 0 HB3 LEU A 152 3.213 -0.522 3.747 1.00 1.00 H new ATOM 0 HG LEU A 152 1.733 -0.865 6.369 1.00 1.00 H new ATOM 0 HD11 LEU A 152 1.620 -3.232 5.719 1.00 1.00 H new ATOM 0 HD12 LEU A 152 0.785 -2.177 4.555 1.00 1.00 H new ATOM 0 HD13 LEU A 152 2.390 -2.838 4.164 1.00 1.00 H new ATOM 0 HD21 LEU A 152 3.557 -2.378 7.024 1.00 1.00 H new ATOM 0 HD22 LEU A 152 4.454 -1.927 5.555 1.00 1.00 H new ATOM 0 HD23 LEU A 152 4.122 -0.705 6.805 1.00 1.00 H new ATOM 1143 N VAL A 153 2.279 2.489 3.356 1.00 1.00 N ATOM 1144 CA VAL A 153 2.223 3.515 2.328 1.00 1.00 C ATOM 1145 C VAL A 153 1.028 4.432 2.593 1.00 1.00 C ATOM 1146 O VAL A 153 0.037 4.010 3.189 1.00 1.00 O ATOM 1147 CB VAL A 153 2.182 2.866 0.942 1.00 1.00 C ATOM 1148 CG1 VAL A 153 2.521 3.884 -0.149 1.00 1.00 C ATOM 1149 CG2 VAL A 153 3.118 1.658 0.875 1.00 1.00 C ATOM 0 H VAL A 153 1.406 1.982 3.500 1.00 1.00 H new ATOM 0 HA VAL A 153 3.120 4.133 2.357 1.00 1.00 H new ATOM 0 HB VAL A 153 1.166 2.512 0.767 1.00 1.00 H new ATOM 0 HG11 VAL A 153 2.485 3.398 -1.124 1.00 1.00 H new ATOM 0 HG12 VAL A 153 1.798 4.699 -0.123 1.00 1.00 H new ATOM 0 HG13 VAL A 153 3.522 4.281 0.022 1.00 1.00 H new ATOM 0 HG21 VAL A 153 3.070 1.215 -0.120 1.00 1.00 H new ATOM 0 HG22 VAL A 153 4.140 1.977 1.081 1.00 1.00 H new ATOM 0 HG23 VAL A 153 2.812 0.919 1.616 1.00 1.00 H new ATOM 1159 N VAL A 154 1.159 5.670 2.139 1.00 1.00 N ATOM 1160 CA VAL A 154 0.102 6.650 2.321 1.00 1.00 C ATOM 1161 C VAL A 154 -0.524 6.976 0.963 1.00 1.00 C ATOM 1162 O VAL A 154 0.182 7.317 0.015 1.00 1.00 O ATOM 1163 CB VAL A 154 0.653 7.885 3.037 1.00 1.00 C ATOM 1164 CG1 VAL A 154 -0.397 8.997 3.096 1.00 1.00 C ATOM 1165 CG2 VAL A 154 1.153 7.529 4.438 1.00 1.00 C ATOM 0 H VAL A 154 1.981 6.017 1.645 1.00 1.00 H new ATOM 0 HA VAL A 154 -0.688 6.248 2.955 1.00 1.00 H new ATOM 0 HB VAL A 154 1.502 8.255 2.462 1.00 1.00 H new ATOM 0 HG11 VAL A 154 0.019 9.864 3.610 1.00 1.00 H new ATOM 0 HG12 VAL A 154 -0.685 9.279 2.083 1.00 1.00 H new ATOM 0 HG13 VAL A 154 -1.274 8.641 3.637 1.00 1.00 H new ATOM 0 HG21 VAL A 154 1.539 8.424 4.925 1.00 1.00 H new ATOM 0 HG22 VAL A 154 0.330 7.123 5.026 1.00 1.00 H new ATOM 0 HG23 VAL A 154 1.947 6.786 4.363 1.00 1.00 H new ATOM 1175 N ILE A 155 -1.843 6.858 0.912 1.00 1.00 N ATOM 1176 CA ILE A 155 -2.572 7.135 -0.313 1.00 1.00 C ATOM 1177 C ILE A 155 -3.433 8.385 -0.118 1.00 1.00 C ATOM 1178 O ILE A 155 -3.620 8.844 1.008 1.00 1.00 O ATOM 1179 CB ILE A 155 -3.366 5.904 -0.755 1.00 1.00 C ATOM 1180 CG1 ILE A 155 -2.436 4.719 -1.021 1.00 1.00 C ATOM 1181 CG2 ILE A 155 -4.247 6.225 -1.963 1.00 1.00 C ATOM 1182 CD1 ILE A 155 -2.311 3.832 0.219 1.00 1.00 C ATOM 0 H ILE A 155 -2.425 6.574 1.700 1.00 1.00 H new ATOM 0 HA ILE A 155 -1.880 7.348 -1.128 1.00 1.00 H new ATOM 0 HB ILE A 155 -4.030 5.615 0.059 1.00 1.00 H new ATOM 0 HG12 ILE A 155 -2.819 4.132 -1.856 1.00 1.00 H new ATOM 0 HG13 ILE A 155 -1.451 5.083 -1.313 1.00 1.00 H new ATOM 0 HG21 ILE A 155 -4.801 5.333 -2.257 1.00 1.00 H new ATOM 0 HG22 ILE A 155 -4.948 7.018 -1.702 1.00 1.00 H new ATOM 0 HG23 ILE A 155 -3.621 6.553 -2.793 1.00 1.00 H new ATOM 0 HD11 ILE A 155 -1.644 2.997 0.003 1.00 1.00 H new ATOM 0 HD12 ILE A 155 -1.905 4.416 1.045 1.00 1.00 H new ATOM 0 HD13 ILE A 155 -3.294 3.450 0.494 1.00 1.00 H new ATOM 1193 N GLU A 156 -3.935 8.899 -1.231 1.00 1.00 N ATOM 1194 CA GLU A 156 -4.772 10.087 -1.196 1.00 1.00 C ATOM 1195 C GLU A 156 -6.223 9.723 -1.514 1.00 1.00 C ATOM 1196 O GLU A 156 -7.087 10.596 -1.575 1.00 1.00 O ATOM 1197 CB GLU A 156 -4.250 11.154 -2.159 1.00 1.00 C ATOM 1198 CG GLU A 156 -3.669 12.345 -1.396 1.00 1.00 C ATOM 1199 CD GLU A 156 -4.686 13.485 -1.302 1.00 1.00 C ATOM 1200 OE1 GLU A 156 -5.602 13.431 -0.470 1.00 1.00 O ATOM 1201 OE2 GLU A 156 -4.497 14.453 -2.134 1.00 1.00 O ATOM 0 H GLU A 156 -3.778 8.515 -2.163 1.00 1.00 H new ATOM 0 HA GLU A 156 -4.735 10.504 -0.190 1.00 1.00 H new ATOM 0 HB2 GLU A 156 -3.485 10.723 -2.805 1.00 1.00 H new ATOM 0 HB3 GLU A 156 -5.059 11.492 -2.806 1.00 1.00 H new ATOM 0 HG2 GLU A 156 -3.375 12.031 -0.394 1.00 1.00 H new ATOM 0 HG3 GLU A 156 -2.767 12.698 -1.897 1.00 1.00 H new