USER MOD reduce.3.24.130724 H: found=0, std=0, add=537, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 537 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 18 THR OG1 : rot -71:sc= 0.44 USER MOD Set 1.2: A 65 THR OG1 : rot 180:sc= 0.403 USER MOD Single : A 28 HIS : no HE2:sc= -3.65! C(o=-3.7!,f=-5.9!) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl -121:sc= -0.838 (180deg=-4.37!) USER MOD Single : A 43 MET CE :methyl -145:sc= -3.03! (180deg=-4.61!) USER MOD Single : A 49 ASN :FLIP amide:sc= -0.0218 F(o=-0.74,f=-0.022) USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=-0.0049) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.0174 K(o=-0.017,f=-0.93) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ -143:sc= -0.0625 (180deg=-0.611) USER MOD ----------------------------------------------------------------- ATOM 176 N VAL A 15 -0.344 -17.350 15.830 1.00 0.00 N ATOM 177 CA VAL A 15 -0.309 -15.903 16.002 1.00 0.00 C ATOM 178 C VAL A 15 0.212 -15.212 14.747 1.00 0.00 C ATOM 179 O VAL A 15 1.161 -15.664 14.108 1.00 0.00 O ATOM 180 CB VAL A 15 0.573 -15.502 17.200 1.00 0.00 C ATOM 181 CG1 VAL A 15 0.648 -13.987 17.324 1.00 0.00 C ATOM 182 CG2 VAL A 15 0.044 -16.125 18.482 1.00 0.00 C ATOM 0 HA VAL A 15 -1.333 -15.582 16.190 1.00 0.00 H new ATOM 0 HB VAL A 15 1.582 -15.879 17.030 1.00 0.00 H new ATOM 0 HG11 VAL A 15 1.275 -13.722 18.175 1.00 0.00 H new ATOM 0 HG12 VAL A 15 1.077 -13.568 16.414 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -0.354 -13.584 17.472 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.679 -15.831 19.318 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -0.974 -15.780 18.661 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.048 -17.211 18.387 1.00 0.00 H new ATOM 192 N PRO A 16 -0.422 -14.087 14.384 1.00 0.00 N ATOM 193 CA PRO A 16 -0.040 -13.308 13.203 1.00 0.00 C ATOM 194 C PRO A 16 1.304 -12.609 13.380 1.00 0.00 C ATOM 195 O PRO A 16 1.933 -12.709 14.434 1.00 0.00 O ATOM 196 CB PRO A 16 -1.165 -12.278 13.077 1.00 0.00 C ATOM 197 CG PRO A 16 -1.705 -12.137 14.458 1.00 0.00 C ATOM 198 CD PRO A 16 -1.562 -13.489 15.100 1.00 0.00 C ATOM 0 HA PRO A 16 0.080 -13.938 12.321 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -0.790 -11.327 12.699 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.935 -12.615 12.383 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -1.155 -11.380 15.017 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -2.749 -11.823 14.439 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -1.367 -13.408 16.169 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -2.467 -14.086 14.985 1.00 0.00 H new ATOM 206 N VAL A 17 1.739 -11.900 12.343 1.00 0.00 N ATOM 207 CA VAL A 17 3.007 -11.183 12.385 1.00 0.00 C ATOM 208 C VAL A 17 2.918 -9.863 11.628 1.00 0.00 C ATOM 209 O VAL A 17 2.117 -9.717 10.703 1.00 0.00 O ATOM 210 CB VAL A 17 4.149 -12.028 11.790 1.00 0.00 C ATOM 211 CG1 VAL A 17 4.611 -13.080 12.787 1.00 0.00 C ATOM 212 CG2 VAL A 17 3.710 -12.675 10.486 1.00 0.00 C ATOM 0 H VAL A 17 1.231 -11.807 11.463 1.00 0.00 H new ATOM 0 HA VAL A 17 3.222 -10.982 13.434 1.00 0.00 H new ATOM 0 HB VAL A 17 4.991 -11.369 11.577 1.00 0.00 H new ATOM 0 HG11 VAL A 17 5.418 -13.667 12.349 1.00 0.00 H new ATOM 0 HG12 VAL A 17 4.969 -12.591 13.693 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.778 -13.737 13.035 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.530 -13.268 10.080 1.00 0.00 H new ATOM 0 HG22 VAL A 17 2.852 -13.321 10.671 1.00 0.00 H new ATOM 0 HG23 VAL A 17 3.434 -11.901 9.771 1.00 0.00 H new ATOM 222 N THR A 18 3.747 -8.902 12.023 1.00 0.00 N ATOM 223 CA THR A 18 3.762 -7.593 11.383 1.00 0.00 C ATOM 224 C THR A 18 4.827 -7.526 10.294 1.00 0.00 C ATOM 225 O THR A 18 5.877 -8.160 10.401 1.00 0.00 O ATOM 226 CB THR A 18 4.017 -6.469 12.405 1.00 0.00 C ATOM 227 OG1 THR A 18 3.121 -6.603 13.513 1.00 0.00 O ATOM 228 CG2 THR A 18 3.837 -5.102 11.763 1.00 0.00 C ATOM 0 H THR A 18 4.418 -9.006 12.784 1.00 0.00 H new ATOM 0 HA THR A 18 2.779 -7.449 10.936 1.00 0.00 H new ATOM 0 HB THR A 18 5.045 -6.554 12.757 1.00 0.00 H new ATOM 0 HG1 THR A 18 2.212 -6.374 13.228 1.00 0.00 H new ATOM 0 HG21 THR A 18 4.022 -4.325 12.504 1.00 0.00 H new ATOM 0 HG22 THR A 18 4.541 -4.992 10.938 1.00 0.00 H new ATOM 0 HG23 THR A 18 2.819 -5.008 11.386 1.00 0.00 H new ATOM 236 N ILE A 19 4.550 -6.754 9.249 1.00 0.00 N ATOM 237 CA ILE A 19 5.486 -6.604 8.142 1.00 0.00 C ATOM 238 C ILE A 19 5.709 -5.133 7.806 1.00 0.00 C ATOM 239 O ILE A 19 5.170 -4.247 8.469 1.00 0.00 O ATOM 240 CB ILE A 19 4.990 -7.337 6.881 1.00 0.00 C ATOM 241 CG1 ILE A 19 3.641 -6.770 6.433 1.00 0.00 C ATOM 242 CG2 ILE A 19 4.882 -8.831 7.144 1.00 0.00 C ATOM 243 CD1 ILE A 19 3.285 -7.114 5.003 1.00 0.00 C ATOM 0 H ILE A 19 3.685 -6.223 9.146 1.00 0.00 H new ATOM 0 HA ILE A 19 6.428 -7.048 8.464 1.00 0.00 H new ATOM 0 HB ILE A 19 5.713 -7.181 6.080 1.00 0.00 H new ATOM 0 HG12 ILE A 19 2.860 -7.147 7.094 1.00 0.00 H new ATOM 0 HG13 ILE A 19 3.657 -5.686 6.544 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.530 -9.334 6.243 1.00 0.00 H new ATOM 0 HG22 ILE A 19 5.861 -9.223 7.420 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.178 -9.007 7.957 1.00 0.00 H new ATOM 0 HD11 ILE A 19 2.317 -6.680 4.755 1.00 0.00 H new ATOM 0 HD12 ILE A 19 4.045 -6.714 4.332 1.00 0.00 H new ATOM 0 HD13 ILE A 19 3.236 -8.197 4.891 1.00 0.00 H new ATOM 255 N GLU A 20 6.506 -4.881 6.772 1.00 0.00 N ATOM 256 CA GLU A 20 6.798 -3.517 6.348 1.00 0.00 C ATOM 257 C GLU A 20 6.582 -3.356 4.847 1.00 0.00 C ATOM 258 O GLU A 20 7.184 -4.067 4.041 1.00 0.00 O ATOM 259 CB GLU A 20 8.237 -3.145 6.711 1.00 0.00 C ATOM 260 CG GLU A 20 8.404 -2.689 8.151 1.00 0.00 C ATOM 261 CD GLU A 20 9.799 -2.175 8.443 1.00 0.00 C ATOM 262 OE1 GLU A 20 10.491 -1.760 7.488 1.00 0.00 O ATOM 263 OE2 GLU A 20 10.201 -2.186 9.625 1.00 0.00 O ATOM 0 H GLU A 20 6.960 -5.603 6.213 1.00 0.00 H new ATOM 0 HA GLU A 20 6.114 -2.847 6.869 1.00 0.00 H new ATOM 0 HB2 GLU A 20 8.881 -4.006 6.535 1.00 0.00 H new ATOM 0 HB3 GLU A 20 8.577 -2.351 6.046 1.00 0.00 H new ATOM 0 HG2 GLU A 20 7.679 -1.903 8.365 1.00 0.00 H new ATOM 0 HG3 GLU A 20 8.180 -3.520 8.819 1.00 0.00 H new ATOM 270 N VAL A 21 5.718 -2.415 4.476 1.00 0.00 N ATOM 271 CA VAL A 21 5.423 -2.160 3.072 1.00 0.00 C ATOM 272 C VAL A 21 5.811 -0.739 2.679 1.00 0.00 C ATOM 273 O VAL A 21 5.467 0.221 3.367 1.00 0.00 O ATOM 274 CB VAL A 21 3.929 -2.376 2.764 1.00 0.00 C ATOM 275 CG1 VAL A 21 3.719 -2.613 1.276 1.00 0.00 C ATOM 276 CG2 VAL A 21 3.380 -3.536 3.580 1.00 0.00 C ATOM 0 H VAL A 21 5.211 -1.818 5.129 1.00 0.00 H new ATOM 0 HA VAL A 21 6.012 -2.869 2.491 1.00 0.00 H new ATOM 0 HB VAL A 21 3.384 -1.475 3.044 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.658 -2.764 1.078 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.074 -1.748 0.716 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.275 -3.498 0.966 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.324 -3.675 3.350 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.928 -4.446 3.333 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.495 -3.320 4.642 1.00 0.00 H new ATOM 286 N GLU A 22 6.528 -0.613 1.566 1.00 0.00 N ATOM 287 CA GLU A 22 6.963 0.692 1.082 1.00 0.00 C ATOM 288 C GLU A 22 5.787 1.480 0.511 1.00 0.00 C ATOM 289 O GLU A 22 5.243 1.133 -0.538 1.00 0.00 O ATOM 290 CB GLU A 22 8.047 0.529 0.016 1.00 0.00 C ATOM 291 CG GLU A 22 9.415 0.189 0.585 1.00 0.00 C ATOM 292 CD GLU A 22 10.331 -0.450 -0.441 1.00 0.00 C ATOM 293 OE1 GLU A 22 9.899 -1.417 -1.102 1.00 0.00 O ATOM 294 OE2 GLU A 22 11.480 0.017 -0.583 1.00 0.00 O ATOM 0 H GLU A 22 6.819 -1.398 0.983 1.00 0.00 H new ATOM 0 HA GLU A 22 7.374 1.246 1.926 1.00 0.00 H new ATOM 0 HB2 GLU A 22 7.747 -0.256 -0.678 1.00 0.00 H new ATOM 0 HB3 GLU A 22 8.121 1.452 -0.559 1.00 0.00 H new ATOM 0 HG2 GLU A 22 9.881 1.097 0.967 1.00 0.00 H new ATOM 0 HG3 GLU A 22 9.295 -0.488 1.431 1.00 0.00 H new ATOM 301 N VAL A 23 5.399 2.541 1.210 1.00 0.00 N ATOM 302 CA VAL A 23 4.288 3.380 0.774 1.00 0.00 C ATOM 303 C VAL A 23 4.514 4.836 1.163 1.00 0.00 C ATOM 304 O VAL A 23 4.717 5.169 2.331 1.00 0.00 O ATOM 305 CB VAL A 23 2.954 2.900 1.375 1.00 0.00 C ATOM 306 CG1 VAL A 23 1.815 3.810 0.938 1.00 0.00 C ATOM 307 CG2 VAL A 23 2.678 1.458 0.977 1.00 0.00 C ATOM 0 H VAL A 23 5.837 2.841 2.081 1.00 0.00 H new ATOM 0 HA VAL A 23 4.238 3.301 -0.312 1.00 0.00 H new ATOM 0 HB VAL A 23 3.027 2.944 2.462 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.880 3.456 1.372 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.011 4.827 1.278 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.738 3.799 -0.149 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.731 1.136 1.411 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.623 1.384 -0.109 1.00 0.00 H new ATOM 0 HG23 VAL A 23 3.481 0.819 1.344 1.00 0.00 H new ATOM 317 N PRO A 24 4.478 5.728 0.162 1.00 0.00 N ATOM 318 CA PRO A 24 4.675 7.166 0.374 1.00 0.00 C ATOM 319 C PRO A 24 3.509 7.807 1.119 1.00 0.00 C ATOM 320 O PRO A 24 2.347 7.588 0.778 1.00 0.00 O ATOM 321 CB PRO A 24 4.774 7.724 -1.047 1.00 0.00 C ATOM 322 CG PRO A 24 4.026 6.749 -1.891 1.00 0.00 C ATOM 323 CD PRO A 24 4.241 5.404 -1.255 1.00 0.00 C ATOM 0 HA PRO A 24 5.552 7.371 0.989 1.00 0.00 H new ATOM 0 HB2 PRO A 24 4.337 8.721 -1.112 1.00 0.00 H new ATOM 0 HB3 PRO A 24 5.812 7.810 -1.367 1.00 0.00 H new ATOM 0 HG2 PRO A 24 2.966 6.998 -1.929 1.00 0.00 H new ATOM 0 HG3 PRO A 24 4.393 6.759 -2.917 1.00 0.00 H new ATOM 0 HD2 PRO A 24 3.372 4.758 -1.379 1.00 0.00 H new ATOM 0 HD3 PRO A 24 5.091 4.883 -1.695 1.00 0.00 H new ATOM 331 N PHE A 25 3.827 8.601 2.136 1.00 0.00 N ATOM 332 CA PHE A 25 2.806 9.274 2.929 1.00 0.00 C ATOM 333 C PHE A 25 1.861 10.071 2.035 1.00 0.00 C ATOM 334 O PHE A 25 0.680 10.228 2.345 1.00 0.00 O ATOM 335 CB PHE A 25 3.457 10.202 3.957 1.00 0.00 C ATOM 336 CG PHE A 25 2.482 10.784 4.941 1.00 0.00 C ATOM 337 CD1 PHE A 25 1.625 11.806 4.564 1.00 0.00 C ATOM 338 CD2 PHE A 25 2.424 10.312 6.241 1.00 0.00 C ATOM 339 CE1 PHE A 25 0.728 12.345 5.465 1.00 0.00 C ATOM 340 CE2 PHE A 25 1.528 10.846 7.147 1.00 0.00 C ATOM 341 CZ PHE A 25 0.679 11.865 6.760 1.00 0.00 C ATOM 0 H PHE A 25 4.784 8.794 2.430 1.00 0.00 H new ATOM 0 HA PHE A 25 2.228 8.512 3.452 1.00 0.00 H new ATOM 0 HB2 PHE A 25 4.223 9.649 4.500 1.00 0.00 H new ATOM 0 HB3 PHE A 25 3.961 11.014 3.434 1.00 0.00 H new ATOM 0 HD1 PHE A 25 1.659 12.185 3.553 1.00 0.00 H new ATOM 0 HD2 PHE A 25 3.087 9.517 6.551 1.00 0.00 H new ATOM 0 HE1 PHE A 25 0.066 13.141 5.158 1.00 0.00 H new ATOM 0 HE2 PHE A 25 1.491 10.467 8.158 1.00 0.00 H new ATOM 0 HZ PHE A 25 -0.021 12.285 7.467 1.00 0.00 H new ATOM 351 N ASP A 26 2.390 10.574 0.925 1.00 0.00 N ATOM 352 CA ASP A 26 1.595 11.355 -0.015 1.00 0.00 C ATOM 353 C ASP A 26 0.354 10.582 -0.451 1.00 0.00 C ATOM 354 O ASP A 26 -0.613 11.166 -0.943 1.00 0.00 O ATOM 355 CB ASP A 26 2.434 11.730 -1.238 1.00 0.00 C ATOM 356 CG ASP A 26 1.832 12.878 -2.025 1.00 0.00 C ATOM 357 OD1 ASP A 26 0.610 12.845 -2.282 1.00 0.00 O ATOM 358 OD2 ASP A 26 2.583 13.809 -2.382 1.00 0.00 O ATOM 0 H ASP A 26 3.366 10.455 0.654 1.00 0.00 H new ATOM 0 HA ASP A 26 1.274 12.267 0.489 1.00 0.00 H new ATOM 0 HB2 ASP A 26 3.439 12.002 -0.916 1.00 0.00 H new ATOM 0 HB3 ASP A 26 2.532 10.860 -1.888 1.00 0.00 H new ATOM 363 N LEU A 27 0.389 9.267 -0.269 1.00 0.00 N ATOM 364 CA LEU A 27 -0.732 8.412 -0.645 1.00 0.00 C ATOM 365 C LEU A 27 -1.615 8.110 0.563 1.00 0.00 C ATOM 366 O LEU A 27 -2.834 7.994 0.440 1.00 0.00 O ATOM 367 CB LEU A 27 -0.222 7.107 -1.258 1.00 0.00 C ATOM 368 CG LEU A 27 0.317 7.203 -2.687 1.00 0.00 C ATOM 369 CD1 LEU A 27 0.690 5.825 -3.208 1.00 0.00 C ATOM 370 CD2 LEU A 27 -0.707 7.862 -3.599 1.00 0.00 C ATOM 0 H LEU A 27 1.181 8.769 0.137 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.330 8.943 -1.386 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.568 6.713 -0.619 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -1.035 6.381 -1.245 1.00 0.00 H new ATOM 0 HG LEU A 27 1.215 7.821 -2.677 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.071 5.912 -4.225 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.458 5.390 -2.568 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.191 5.184 -3.204 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.307 7.922 -4.611 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.623 7.271 -3.605 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.926 8.866 -3.235 1.00 0.00 H new ATOM 382 N HIS A 28 -0.989 7.983 1.728 1.00 0.00 N ATOM 383 CA HIS A 28 -1.718 7.697 2.959 1.00 0.00 C ATOM 384 C HIS A 28 -3.083 8.378 2.953 1.00 0.00 C ATOM 385 O HIS A 28 -4.116 7.719 3.063 1.00 0.00 O ATOM 386 CB HIS A 28 -0.910 8.157 4.174 1.00 0.00 C ATOM 387 CG HIS A 28 0.316 7.335 4.424 1.00 0.00 C ATOM 388 ND1 HIS A 28 1.156 7.543 5.497 1.00 0.00 N ATOM 389 CD2 HIS A 28 0.843 6.298 3.732 1.00 0.00 C ATOM 390 CE1 HIS A 28 2.147 6.670 5.455 1.00 0.00 C ATOM 391 NE2 HIS A 28 1.980 5.902 4.393 1.00 0.00 N ATOM 0 H HIS A 28 0.020 8.073 1.846 1.00 0.00 H new ATOM 0 HA HIS A 28 -1.870 6.619 3.020 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -0.617 9.197 4.033 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -1.547 8.122 5.058 1.00 0.00 H new ATOM 0 HD1 HIS A 28 1.032 8.260 6.212 1.00 0.00 H new ATOM 0 HD2 HIS A 28 0.444 5.863 2.828 1.00 0.00 H new ATOM 0 HE1 HIS A 28 2.956 6.597 6.167 1.00 0.00 H new ATOM 399 N ARG A 29 -3.078 9.701 2.827 1.00 0.00 N ATOM 400 CA ARG A 29 -4.315 10.471 2.808 1.00 0.00 C ATOM 401 C ARG A 29 -5.372 9.785 1.947 1.00 0.00 C ATOM 402 O ARG A 29 -6.538 9.696 2.329 1.00 0.00 O ATOM 403 CB ARG A 29 -4.055 11.885 2.285 1.00 0.00 C ATOM 404 CG ARG A 29 -3.618 11.924 0.830 1.00 0.00 C ATOM 405 CD ARG A 29 -2.835 13.189 0.516 1.00 0.00 C ATOM 406 NE ARG A 29 -3.713 14.339 0.313 1.00 0.00 N ATOM 407 CZ ARG A 29 -3.326 15.462 -0.281 1.00 0.00 C ATOM 408 NH1 ARG A 29 -2.085 15.586 -0.729 1.00 0.00 N ATOM 409 NH2 ARG A 29 -4.183 16.465 -0.429 1.00 0.00 N ATOM 0 H ARG A 29 -2.231 10.262 2.737 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.688 10.532 3.830 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -4.962 12.478 2.399 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -3.287 12.355 2.899 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -3.004 11.051 0.610 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -4.494 11.868 0.184 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -2.144 13.400 1.332 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -2.233 13.030 -0.378 1.00 0.00 H new ATOM 0 HE ARG A 29 -4.675 14.276 0.645 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -1.424 14.817 -0.618 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -1.791 16.450 -1.185 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -5.139 16.373 -0.086 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -3.885 17.327 -0.885 1.00 0.00 H new ATOM 423 N TYR A 30 -4.954 9.302 0.782 1.00 0.00 N ATOM 424 CA TYR A 30 -5.863 8.626 -0.136 1.00 0.00 C ATOM 425 C TYR A 30 -6.156 7.205 0.336 1.00 0.00 C ATOM 426 O TYR A 30 -7.291 6.734 0.258 1.00 0.00 O ATOM 427 CB TYR A 30 -5.269 8.594 -1.544 1.00 0.00 C ATOM 428 CG TYR A 30 -4.911 9.962 -2.081 1.00 0.00 C ATOM 429 CD1 TYR A 30 -5.836 10.999 -2.069 1.00 0.00 C ATOM 430 CD2 TYR A 30 -3.648 10.217 -2.601 1.00 0.00 C ATOM 431 CE1 TYR A 30 -5.515 12.249 -2.560 1.00 0.00 C ATOM 432 CE2 TYR A 30 -3.317 11.466 -3.092 1.00 0.00 C ATOM 433 CZ TYR A 30 -4.254 12.478 -3.070 1.00 0.00 C ATOM 434 OH TYR A 30 -3.929 13.723 -3.559 1.00 0.00 O ATOM 0 H TYR A 30 -3.991 9.366 0.451 1.00 0.00 H new ATOM 0 HA TYR A 30 -6.799 9.184 -0.156 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -4.375 7.970 -1.538 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -5.983 8.123 -2.220 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -6.824 10.824 -1.668 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -2.913 9.426 -2.622 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -6.247 13.043 -2.545 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -2.330 11.649 -3.491 1.00 0.00 H new ATOM 0 HH TYR A 30 -3.003 13.717 -3.880 1.00 0.00 H new ATOM 444 N VAL A 31 -5.125 6.526 0.828 1.00 0.00 N ATOM 445 CA VAL A 31 -5.270 5.159 1.314 1.00 0.00 C ATOM 446 C VAL A 31 -6.279 5.087 2.455 1.00 0.00 C ATOM 447 O VAL A 31 -7.315 4.431 2.339 1.00 0.00 O ATOM 448 CB VAL A 31 -3.923 4.590 1.799 1.00 0.00 C ATOM 449 CG1 VAL A 31 -4.098 3.168 2.310 1.00 0.00 C ATOM 450 CG2 VAL A 31 -2.891 4.640 0.682 1.00 0.00 C ATOM 0 H VAL A 31 -4.179 6.901 0.901 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.628 4.561 0.476 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.563 5.206 2.623 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.136 2.782 2.648 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.803 3.164 3.141 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.480 2.537 1.507 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.945 4.234 1.042 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.241 4.048 -0.164 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.746 5.673 0.367 1.00 0.00 H new ATOM 460 N ILE A 32 -5.971 5.766 3.555 1.00 0.00 N ATOM 461 CA ILE A 32 -6.852 5.780 4.715 1.00 0.00 C ATOM 462 C ILE A 32 -8.287 6.106 4.312 1.00 0.00 C ATOM 463 O ILE A 32 -9.233 5.473 4.780 1.00 0.00 O ATOM 464 CB ILE A 32 -6.382 6.803 5.767 1.00 0.00 C ATOM 465 CG1 ILE A 32 -4.959 6.476 6.226 1.00 0.00 C ATOM 466 CG2 ILE A 32 -7.336 6.820 6.952 1.00 0.00 C ATOM 467 CD1 ILE A 32 -4.278 7.621 6.941 1.00 0.00 C ATOM 0 H ILE A 32 -5.118 6.314 3.667 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.817 4.781 5.150 1.00 0.00 H new ATOM 0 HB ILE A 32 -6.379 7.794 5.314 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.989 5.611 6.888 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -4.362 6.193 5.359 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -6.991 7.547 7.687 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -8.334 7.094 6.611 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -7.367 5.831 7.408 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -3.274 7.319 7.238 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -4.216 8.481 6.274 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -4.853 7.890 7.827 1.00 0.00 H new ATOM 550 N ILE A 39 -9.042 1.579 3.523 1.00 0.00 N ATOM 551 CA ILE A 39 -8.240 0.526 4.133 1.00 0.00 C ATOM 552 C ILE A 39 -9.124 -0.580 4.700 1.00 0.00 C ATOM 553 O ILE A 39 -8.813 -1.764 4.572 1.00 0.00 O ATOM 554 CB ILE A 39 -7.345 1.080 5.258 1.00 0.00 C ATOM 555 CG1 ILE A 39 -6.384 2.133 4.703 1.00 0.00 C ATOM 556 CG2 ILE A 39 -6.574 -0.049 5.927 1.00 0.00 C ATOM 557 CD1 ILE A 39 -5.560 2.821 5.769 1.00 0.00 C ATOM 0 HA ILE A 39 -7.608 0.115 3.346 1.00 0.00 H new ATOM 0 HB ILE A 39 -7.980 1.553 6.007 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.713 1.659 3.986 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -6.956 2.883 4.157 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -5.946 0.359 6.719 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -7.276 -0.766 6.353 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -5.947 -0.549 5.189 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -4.902 3.554 5.303 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -6.223 3.324 6.473 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.961 2.081 6.300 1.00 0.00 H new ATOM 569 N ARG A 40 -10.229 -0.185 5.325 1.00 0.00 N ATOM 570 CA ARG A 40 -11.159 -1.143 5.911 1.00 0.00 C ATOM 571 C ARG A 40 -11.477 -2.263 4.925 1.00 0.00 C ATOM 572 O ARG A 40 -11.472 -3.441 5.285 1.00 0.00 O ATOM 573 CB ARG A 40 -12.449 -0.438 6.334 1.00 0.00 C ATOM 574 CG ARG A 40 -13.522 -1.387 6.842 1.00 0.00 C ATOM 575 CD ARG A 40 -14.318 -1.992 5.698 1.00 0.00 C ATOM 576 NE ARG A 40 -15.629 -2.466 6.133 1.00 0.00 N ATOM 577 CZ ARG A 40 -16.589 -2.846 5.296 1.00 0.00 C ATOM 578 NH1 ARG A 40 -16.384 -2.809 3.987 1.00 0.00 N ATOM 579 NH2 ARG A 40 -17.756 -3.265 5.769 1.00 0.00 N ATOM 0 H ARG A 40 -10.502 0.791 5.438 1.00 0.00 H new ATOM 0 HA ARG A 40 -10.687 -1.581 6.791 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -12.218 0.287 7.114 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -12.843 0.121 5.485 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -13.059 -2.183 7.425 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -14.195 -0.852 7.512 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -14.444 -1.248 4.911 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -13.758 -2.821 5.266 1.00 0.00 H new ATOM 0 HE ARG A 40 -15.818 -2.508 7.134 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -15.488 -2.488 3.620 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -17.122 -3.101 3.347 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -17.917 -3.296 6.776 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -18.492 -3.556 5.126 1.00 0.00 H new ATOM 593 N LYS A 41 -11.755 -1.888 3.682 1.00 0.00 N ATOM 594 CA LYS A 41 -12.076 -2.860 2.643 1.00 0.00 C ATOM 595 C LYS A 41 -11.057 -3.995 2.625 1.00 0.00 C ATOM 596 O LYS A 41 -11.420 -5.169 2.682 1.00 0.00 O ATOM 597 CB LYS A 41 -12.120 -2.178 1.273 1.00 0.00 C ATOM 598 CG LYS A 41 -12.404 -3.134 0.127 1.00 0.00 C ATOM 599 CD LYS A 41 -13.819 -3.682 0.196 1.00 0.00 C ATOM 600 CE LYS A 41 -14.307 -4.142 -1.169 1.00 0.00 C ATOM 601 NZ LYS A 41 -13.574 -5.350 -1.642 1.00 0.00 N ATOM 0 H LYS A 41 -11.765 -0.917 3.369 1.00 0.00 H new ATOM 0 HA LYS A 41 -13.057 -3.280 2.865 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -12.886 -1.403 1.287 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -11.167 -1.681 1.093 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -12.258 -2.619 -0.822 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -11.692 -3.959 0.155 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -13.853 -4.517 0.896 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -14.489 -2.914 0.583 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -15.374 -4.361 -1.119 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -14.181 -3.335 -1.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -13.936 -5.632 -2.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -12.559 -5.134 -1.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -13.715 -6.128 -0.967 1.00 0.00 H new ATOM 615 N MET A 42 -9.780 -3.635 2.548 1.00 0.00 N ATOM 616 CA MET A 42 -8.707 -4.624 2.526 1.00 0.00 C ATOM 617 C MET A 42 -8.696 -5.442 3.814 1.00 0.00 C ATOM 618 O MET A 42 -8.904 -6.656 3.791 1.00 0.00 O ATOM 619 CB MET A 42 -7.355 -3.937 2.333 1.00 0.00 C ATOM 620 CG MET A 42 -7.284 -3.071 1.086 1.00 0.00 C ATOM 621 SD MET A 42 -6.019 -1.792 1.198 1.00 0.00 S ATOM 622 CE MET A 42 -4.536 -2.790 1.307 1.00 0.00 C ATOM 0 H MET A 42 -9.463 -2.667 2.500 1.00 0.00 H new ATOM 0 HA MET A 42 -8.886 -5.299 1.689 1.00 0.00 H new ATOM 0 HB2 MET A 42 -7.143 -3.320 3.206 1.00 0.00 H new ATOM 0 HB3 MET A 42 -6.575 -4.697 2.282 1.00 0.00 H new ATOM 0 HG2 MET A 42 -7.081 -3.703 0.221 1.00 0.00 H new ATOM 0 HG3 MET A 42 -8.254 -2.603 0.918 1.00 0.00 H new ATOM 0 HE1 MET A 42 -4.011 -2.561 2.234 1.00 0.00 H new ATOM 0 HE2 MET A 42 -4.806 -3.846 1.294 1.00 0.00 H new ATOM 0 HE3 MET A 42 -3.887 -2.571 0.459 1.00 0.00 H new ATOM 632 N MET A 43 -8.453 -4.771 4.934 1.00 0.00 N ATOM 633 CA MET A 43 -8.417 -5.437 6.231 1.00 0.00 C ATOM 634 C MET A 43 -9.540 -6.462 6.348 1.00 0.00 C ATOM 635 O MET A 43 -9.315 -7.599 6.765 1.00 0.00 O ATOM 636 CB MET A 43 -8.528 -4.410 7.360 1.00 0.00 C ATOM 637 CG MET A 43 -7.361 -3.438 7.414 1.00 0.00 C ATOM 638 SD MET A 43 -7.414 -2.369 8.865 1.00 0.00 S ATOM 639 CE MET A 43 -8.800 -1.310 8.456 1.00 0.00 C ATOM 0 H MET A 43 -8.278 -3.767 4.970 1.00 0.00 H new ATOM 0 HA MET A 43 -7.463 -5.958 6.317 1.00 0.00 H new ATOM 0 HB2 MET A 43 -9.454 -3.847 7.239 1.00 0.00 H new ATOM 0 HB3 MET A 43 -8.597 -4.935 8.313 1.00 0.00 H new ATOM 0 HG2 MET A 43 -6.426 -3.998 7.414 1.00 0.00 H new ATOM 0 HG3 MET A 43 -7.364 -2.823 6.514 1.00 0.00 H new ATOM 0 HE1 MET A 43 -8.614 -0.305 8.835 1.00 0.00 H new ATOM 0 HE2 MET A 43 -8.922 -1.273 7.374 1.00 0.00 H new ATOM 0 HE3 MET A 43 -9.708 -1.707 8.910 1.00 0.00 H new ATOM 649 N ASP A 44 -10.748 -6.053 5.977 1.00 0.00 N ATOM 650 CA ASP A 44 -11.907 -6.937 6.040 1.00 0.00 C ATOM 651 C ASP A 44 -11.787 -8.064 5.019 1.00 0.00 C ATOM 652 O ASP A 44 -12.276 -9.170 5.242 1.00 0.00 O ATOM 653 CB ASP A 44 -13.193 -6.145 5.795 1.00 0.00 C ATOM 654 CG ASP A 44 -13.789 -5.598 7.077 1.00 0.00 C ATOM 655 OD1 ASP A 44 -13.254 -4.598 7.600 1.00 0.00 O ATOM 656 OD2 ASP A 44 -14.789 -6.171 7.558 1.00 0.00 O ATOM 0 H ASP A 44 -10.951 -5.116 5.630 1.00 0.00 H new ATOM 0 HA ASP A 44 -11.944 -7.376 7.037 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -12.984 -5.320 5.114 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -13.924 -6.787 5.303 1.00 0.00 H new ATOM 661 N GLU A 45 -11.133 -7.773 3.898 1.00 0.00 N ATOM 662 CA GLU A 45 -10.951 -8.763 2.842 1.00 0.00 C ATOM 663 C GLU A 45 -9.881 -9.780 3.229 1.00 0.00 C ATOM 664 O GLU A 45 -10.161 -10.970 3.365 1.00 0.00 O ATOM 665 CB GLU A 45 -10.567 -8.075 1.530 1.00 0.00 C ATOM 666 CG GLU A 45 -10.340 -9.042 0.381 1.00 0.00 C ATOM 667 CD GLU A 45 -11.630 -9.436 -0.313 1.00 0.00 C ATOM 668 OE1 GLU A 45 -12.318 -10.349 0.190 1.00 0.00 O ATOM 669 OE2 GLU A 45 -11.950 -8.833 -1.359 1.00 0.00 O ATOM 0 H GLU A 45 -10.721 -6.862 3.698 1.00 0.00 H new ATOM 0 HA GLU A 45 -11.895 -9.290 2.705 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -11.354 -7.373 1.253 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -9.660 -7.491 1.687 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -9.666 -8.587 -0.344 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.846 -9.938 0.757 1.00 0.00 H new ATOM 676 N PHE A 46 -8.653 -9.301 3.403 1.00 0.00 N ATOM 677 CA PHE A 46 -7.540 -10.168 3.772 1.00 0.00 C ATOM 678 C PHE A 46 -7.558 -10.470 5.268 1.00 0.00 C ATOM 679 O PHE A 46 -6.652 -11.116 5.792 1.00 0.00 O ATOM 680 CB PHE A 46 -6.210 -9.518 3.388 1.00 0.00 C ATOM 681 CG PHE A 46 -6.154 -9.069 1.954 1.00 0.00 C ATOM 682 CD1 PHE A 46 -6.018 -9.992 0.930 1.00 0.00 C ATOM 683 CD2 PHE A 46 -6.238 -7.723 1.633 1.00 0.00 C ATOM 684 CE1 PHE A 46 -5.966 -9.583 -0.388 1.00 0.00 C ATOM 685 CE2 PHE A 46 -6.187 -7.309 0.316 1.00 0.00 C ATOM 686 CZ PHE A 46 -6.050 -8.239 -0.696 1.00 0.00 C ATOM 0 H PHE A 46 -8.404 -8.318 3.294 1.00 0.00 H new ATOM 0 HA PHE A 46 -7.648 -11.107 3.228 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -6.034 -8.660 4.036 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -5.402 -10.227 3.570 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -5.952 -11.044 1.165 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -6.344 -6.991 2.420 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -5.860 -10.313 -1.177 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -6.254 -6.258 0.078 1.00 0.00 H new ATOM 0 HZ PHE A 46 -6.009 -7.916 -1.726 1.00 0.00 H new ATOM 696 N GLU A 47 -8.597 -9.995 5.949 1.00 0.00 N ATOM 697 CA GLU A 47 -8.732 -10.213 7.384 1.00 0.00 C ATOM 698 C GLU A 47 -7.431 -9.882 8.110 1.00 0.00 C ATOM 699 O GLU A 47 -6.929 -10.678 8.903 1.00 0.00 O ATOM 700 CB GLU A 47 -9.132 -11.662 7.668 1.00 0.00 C ATOM 701 CG GLU A 47 -10.631 -11.903 7.607 1.00 0.00 C ATOM 702 CD GLU A 47 -11.016 -13.303 8.042 1.00 0.00 C ATOM 703 OE1 GLU A 47 -10.170 -14.215 7.926 1.00 0.00 O ATOM 704 OE2 GLU A 47 -12.163 -13.487 8.501 1.00 0.00 O ATOM 0 H GLU A 47 -9.356 -9.458 5.530 1.00 0.00 H new ATOM 0 HA GLU A 47 -9.514 -9.549 7.753 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -8.638 -12.314 6.948 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -8.767 -11.944 8.656 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -11.138 -11.177 8.243 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -10.981 -11.734 6.589 1.00 0.00 H new ATOM 711 N VAL A 48 -6.889 -8.700 7.831 1.00 0.00 N ATOM 712 CA VAL A 48 -5.646 -8.263 8.456 1.00 0.00 C ATOM 713 C VAL A 48 -5.801 -6.879 9.078 1.00 0.00 C ATOM 714 O VAL A 48 -6.873 -6.279 9.019 1.00 0.00 O ATOM 715 CB VAL A 48 -4.488 -8.230 7.441 1.00 0.00 C ATOM 716 CG1 VAL A 48 -4.061 -9.642 7.071 1.00 0.00 C ATOM 717 CG2 VAL A 48 -4.889 -7.444 6.201 1.00 0.00 C ATOM 0 H VAL A 48 -7.291 -8.029 7.177 1.00 0.00 H new ATOM 0 HA VAL A 48 -5.414 -8.986 9.238 1.00 0.00 H new ATOM 0 HB VAL A 48 -3.638 -7.728 7.903 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -3.242 -9.598 6.353 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -3.731 -10.169 7.966 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -4.904 -10.173 6.628 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.059 -7.431 5.494 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.754 -7.916 5.735 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -5.141 -6.422 6.484 1.00 0.00 H new ATOM 727 N ASN A 49 -4.724 -6.381 9.675 1.00 0.00 N ATOM 728 CA ASN A 49 -4.740 -5.068 10.309 1.00 0.00 C ATOM 729 C ASN A 49 -3.627 -4.183 9.757 1.00 0.00 C ATOM 730 O ASN A 49 -2.450 -4.539 9.819 1.00 0.00 O ATOM 731 CB ASN A 49 -4.591 -5.209 11.825 1.00 0.00 C ATOM 732 CG ASN A 49 -5.763 -5.936 12.457 1.00 0.00 C ATOM 733 OD1 ASN A 49 -5.865 -7.233 12.195 1.00 0.00 O flip ATOM 734 ND2 ASN A 49 -6.567 -5.337 13.172 1.00 0.00 N flip ATOM 0 H ASN A 49 -3.829 -6.867 9.733 1.00 0.00 H new ATOM 0 HA ASN A 49 -5.697 -4.597 10.087 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -3.670 -5.748 12.048 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -4.498 -4.219 12.272 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -6.449 -4.339 13.346 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -7.350 -5.839 13.590 1.00 0.00 H new ATOM 741 N ILE A 50 -4.006 -3.030 9.219 1.00 0.00 N ATOM 742 CA ILE A 50 -3.040 -2.094 8.659 1.00 0.00 C ATOM 743 C ILE A 50 -2.840 -0.893 9.577 1.00 0.00 C ATOM 744 O ILE A 50 -3.805 -0.272 10.025 1.00 0.00 O ATOM 745 CB ILE A 50 -3.480 -1.595 7.270 1.00 0.00 C ATOM 746 CG1 ILE A 50 -3.589 -2.767 6.293 1.00 0.00 C ATOM 747 CG2 ILE A 50 -2.503 -0.553 6.747 1.00 0.00 C ATOM 748 CD1 ILE A 50 -4.250 -2.403 4.982 1.00 0.00 C ATOM 0 H ILE A 50 -4.976 -2.721 9.159 1.00 0.00 H new ATOM 0 HA ILE A 50 -2.098 -2.634 8.562 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.462 -1.131 7.362 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -2.591 -3.155 6.091 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -4.154 -3.571 6.764 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.828 -0.210 5.765 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.471 0.293 7.434 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.509 -0.994 6.667 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -4.293 -3.282 4.340 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -5.261 -2.043 5.172 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -3.673 -1.621 4.488 1.00 0.00 H new ATOM 760 N HIS A 51 -1.580 -0.570 9.854 1.00 0.00 N ATOM 761 CA HIS A 51 -1.253 0.558 10.717 1.00 0.00 C ATOM 762 C HIS A 51 -0.368 1.564 9.987 1.00 0.00 C ATOM 763 O HIS A 51 0.745 1.240 9.573 1.00 0.00 O ATOM 764 CB HIS A 51 -0.551 0.071 11.986 1.00 0.00 C ATOM 765 CG HIS A 51 -1.495 -0.273 13.098 1.00 0.00 C ATOM 766 ND1 HIS A 51 -1.765 0.579 14.147 1.00 0.00 N ATOM 767 CD2 HIS A 51 -2.234 -1.385 13.319 1.00 0.00 C ATOM 768 CE1 HIS A 51 -2.627 0.007 14.966 1.00 0.00 C ATOM 769 NE2 HIS A 51 -2.929 -1.187 14.486 1.00 0.00 N ATOM 0 H HIS A 51 -0.770 -1.074 9.493 1.00 0.00 H new ATOM 0 HA HIS A 51 -2.184 1.053 10.993 1.00 0.00 H new ATOM 0 HB2 HIS A 51 0.049 -0.806 11.745 1.00 0.00 H new ATOM 0 HB3 HIS A 51 0.137 0.843 12.330 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -2.270 -2.265 12.693 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -3.019 0.441 15.874 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -3.573 -1.853 14.913 1.00 0.00 H new ATOM 777 N VAL A 52 -0.871 2.784 9.830 1.00 0.00 N ATOM 778 CA VAL A 52 -0.126 3.837 9.150 1.00 0.00 C ATOM 779 C VAL A 52 0.504 4.799 10.150 1.00 0.00 C ATOM 780 O VAL A 52 -0.113 5.197 11.139 1.00 0.00 O ATOM 781 CB VAL A 52 -1.029 4.631 8.187 1.00 0.00 C ATOM 782 CG1 VAL A 52 -0.219 5.680 7.440 1.00 0.00 C ATOM 783 CG2 VAL A 52 -1.727 3.692 7.215 1.00 0.00 C ATOM 0 H VAL A 52 -1.792 3.068 10.165 1.00 0.00 H new ATOM 0 HA VAL A 52 0.662 3.348 8.577 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.793 5.144 8.772 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -0.873 6.231 6.764 1.00 0.00 H new ATOM 0 HG12 VAL A 52 0.229 6.370 8.155 1.00 0.00 H new ATOM 0 HG13 VAL A 52 0.568 5.191 6.865 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.361 4.270 6.542 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -0.981 3.149 6.634 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.340 2.983 7.771 1.00 0.00 H new ATOM 793 N PRO A 53 1.762 5.185 9.889 1.00 0.00 N ATOM 794 CA PRO A 53 2.502 6.107 10.755 1.00 0.00 C ATOM 795 C PRO A 53 1.952 7.527 10.695 1.00 0.00 C ATOM 796 O PRO A 53 1.676 8.051 9.616 1.00 0.00 O ATOM 797 CB PRO A 53 3.924 6.061 10.188 1.00 0.00 C ATOM 798 CG PRO A 53 3.751 5.665 8.762 1.00 0.00 C ATOM 799 CD PRO A 53 2.558 4.750 8.729 1.00 0.00 C ATOM 0 HA PRO A 53 2.436 5.821 11.805 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.415 7.030 10.273 1.00 0.00 H new ATOM 0 HB3 PRO A 53 4.542 5.342 10.726 1.00 0.00 H new ATOM 0 HG2 PRO A 53 3.590 6.539 8.131 1.00 0.00 H new ATOM 0 HG3 PRO A 53 4.641 5.160 8.386 1.00 0.00 H new ATOM 0 HD2 PRO A 53 2.000 4.851 7.798 1.00 0.00 H new ATOM 0 HD3 PRO A 53 2.852 3.704 8.813 1.00 0.00 H new ATOM 807 N ALA A 54 1.794 8.145 11.861 1.00 0.00 N ATOM 808 CA ALA A 54 1.277 9.506 11.941 1.00 0.00 C ATOM 809 C ALA A 54 2.116 10.461 11.098 1.00 0.00 C ATOM 810 O ALA A 54 3.219 10.135 10.658 1.00 0.00 O ATOM 811 CB ALA A 54 1.240 9.972 13.388 1.00 0.00 C ATOM 0 H ALA A 54 2.017 7.725 12.763 1.00 0.00 H new ATOM 0 HA ALA A 54 0.262 9.507 11.544 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.852 10.990 13.433 1.00 0.00 H new ATOM 0 HB2 ALA A 54 0.594 9.312 13.967 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.247 9.949 13.803 1.00 0.00 H new ATOM 817 N PRO A 55 1.581 11.668 10.863 1.00 0.00 N ATOM 818 CA PRO A 55 2.263 12.695 10.069 1.00 0.00 C ATOM 819 C PRO A 55 3.482 13.265 10.785 1.00 0.00 C ATOM 820 O PRO A 55 4.428 13.726 10.146 1.00 0.00 O ATOM 821 CB PRO A 55 1.194 13.776 9.892 1.00 0.00 C ATOM 822 CG PRO A 55 0.280 13.598 11.056 1.00 0.00 C ATOM 823 CD PRO A 55 0.270 12.125 11.354 1.00 0.00 C ATOM 0 HA PRO A 55 2.645 12.296 9.129 1.00 0.00 H new ATOM 0 HB2 PRO A 55 1.636 14.772 9.884 1.00 0.00 H new ATOM 0 HB3 PRO A 55 0.662 13.656 8.948 1.00 0.00 H new ATOM 0 HG2 PRO A 55 0.629 14.168 11.917 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -0.723 13.956 10.823 1.00 0.00 H new ATOM 0 HD2 PRO A 55 0.151 11.932 12.420 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -0.549 11.618 10.844 1.00 0.00 H new ATOM 831 N GLU A 56 3.453 13.231 12.113 1.00 0.00 N ATOM 832 CA GLU A 56 4.558 13.746 12.915 1.00 0.00 C ATOM 833 C GLU A 56 5.769 12.820 12.830 1.00 0.00 C ATOM 834 O GLU A 56 6.874 13.186 13.234 1.00 0.00 O ATOM 835 CB GLU A 56 4.126 13.907 14.374 1.00 0.00 C ATOM 836 CG GLU A 56 3.685 12.607 15.025 1.00 0.00 C ATOM 837 CD GLU A 56 3.793 12.647 16.537 1.00 0.00 C ATOM 838 OE1 GLU A 56 3.510 13.711 17.125 1.00 0.00 O ATOM 839 OE2 GLU A 56 4.160 11.612 17.132 1.00 0.00 O ATOM 0 H GLU A 56 2.677 12.853 12.657 1.00 0.00 H new ATOM 0 HA GLU A 56 4.839 14.721 12.517 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.954 14.327 14.945 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.307 14.625 14.425 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.653 12.395 14.743 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.294 11.788 14.642 1.00 0.00 H new ATOM 846 N LEU A 57 5.553 11.620 12.303 1.00 0.00 N ATOM 847 CA LEU A 57 6.625 10.641 12.166 1.00 0.00 C ATOM 848 C LEU A 57 7.301 10.762 10.803 1.00 0.00 C ATOM 849 O LEU A 57 8.448 10.352 10.632 1.00 0.00 O ATOM 850 CB LEU A 57 6.077 9.226 12.353 1.00 0.00 C ATOM 851 CG LEU A 57 5.361 8.952 13.676 1.00 0.00 C ATOM 852 CD1 LEU A 57 4.516 7.691 13.575 1.00 0.00 C ATOM 853 CD2 LEU A 57 6.366 8.834 14.812 1.00 0.00 C ATOM 0 H LEU A 57 4.645 11.302 11.964 1.00 0.00 H new ATOM 0 HA LEU A 57 7.368 10.841 12.938 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.384 9.016 11.538 1.00 0.00 H new ATOM 0 HB3 LEU A 57 6.904 8.522 12.258 1.00 0.00 H new ATOM 0 HG LEU A 57 4.699 9.791 13.889 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.014 7.512 14.526 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.771 7.814 12.789 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.157 6.842 13.338 1.00 0.00 H new ATOM 0 HD21 LEU A 57 5.838 8.639 15.746 1.00 0.00 H new ATOM 0 HD22 LEU A 57 7.054 8.014 14.606 1.00 0.00 H new ATOM 0 HD23 LEU A 57 6.927 9.764 14.900 1.00 0.00 H new ATOM 865 N GLN A 58 6.581 11.327 9.840 1.00 0.00 N ATOM 866 CA GLN A 58 7.112 11.502 8.493 1.00 0.00 C ATOM 867 C GLN A 58 7.738 10.209 7.982 1.00 0.00 C ATOM 868 O GLN A 58 8.873 10.203 7.506 1.00 0.00 O ATOM 869 CB GLN A 58 8.149 12.627 8.474 1.00 0.00 C ATOM 870 CG GLN A 58 7.544 14.014 8.614 1.00 0.00 C ATOM 871 CD GLN A 58 8.444 15.103 8.060 1.00 0.00 C ATOM 872 OE1 GLN A 58 9.668 14.968 8.055 1.00 0.00 O ATOM 873 NE2 GLN A 58 7.840 16.188 7.590 1.00 0.00 N ATOM 0 H GLN A 58 5.629 11.671 9.967 1.00 0.00 H new ATOM 0 HA GLN A 58 6.285 11.768 7.835 1.00 0.00 H new ATOM 0 HB2 GLN A 58 8.861 12.467 9.283 1.00 0.00 H new ATOM 0 HB3 GLN A 58 8.710 12.577 7.541 1.00 0.00 H new ATOM 0 HG2 GLN A 58 6.585 14.042 8.096 1.00 0.00 H new ATOM 0 HG3 GLN A 58 7.344 14.214 9.667 1.00 0.00 H new ATOM 0 HE21 GLN A 58 6.823 16.256 7.614 1.00 0.00 H new ATOM 0 HE22 GLN A 58 8.393 16.953 7.204 1.00 0.00 H new ATOM 882 N SER A 59 6.991 9.114 8.084 1.00 0.00 N ATOM 883 CA SER A 59 7.474 7.814 7.636 1.00 0.00 C ATOM 884 C SER A 59 6.729 7.358 6.386 1.00 0.00 C ATOM 885 O SER A 59 5.572 7.723 6.172 1.00 0.00 O ATOM 886 CB SER A 59 7.311 6.775 8.747 1.00 0.00 C ATOM 887 OG SER A 59 8.303 5.767 8.654 1.00 0.00 O ATOM 0 H SER A 59 6.048 9.102 8.473 1.00 0.00 H new ATOM 0 HA SER A 59 8.532 7.912 7.392 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.376 7.264 9.719 1.00 0.00 H new ATOM 0 HB3 SER A 59 6.321 6.322 8.683 1.00 0.00 H new ATOM 0 HG SER A 59 8.177 5.117 9.376 1.00 0.00 H new ATOM 893 N ASP A 60 7.399 6.560 5.562 1.00 0.00 N ATOM 894 CA ASP A 60 6.801 6.053 4.333 1.00 0.00 C ATOM 895 C ASP A 60 6.704 4.530 4.363 1.00 0.00 C ATOM 896 O ASP A 60 6.582 3.886 3.322 1.00 0.00 O ATOM 897 CB ASP A 60 7.620 6.500 3.121 1.00 0.00 C ATOM 898 CG ASP A 60 7.871 7.995 3.111 1.00 0.00 C ATOM 899 OD1 ASP A 60 6.910 8.756 2.876 1.00 0.00 O ATOM 900 OD2 ASP A 60 9.030 8.404 3.338 1.00 0.00 O ATOM 0 H ASP A 60 8.357 6.250 5.723 1.00 0.00 H new ATOM 0 HA ASP A 60 5.794 6.462 4.253 1.00 0.00 H new ATOM 0 HB2 ASP A 60 8.575 5.974 3.118 1.00 0.00 H new ATOM 0 HB3 ASP A 60 7.097 6.216 2.208 1.00 0.00 H new ATOM 905 N ILE A 61 6.760 3.963 5.564 1.00 0.00 N ATOM 906 CA ILE A 61 6.679 2.517 5.729 1.00 0.00 C ATOM 907 C ILE A 61 5.450 2.126 6.545 1.00 0.00 C ATOM 908 O ILE A 61 5.336 2.478 7.720 1.00 0.00 O ATOM 909 CB ILE A 61 7.937 1.957 6.417 1.00 0.00 C ATOM 910 CG1 ILE A 61 9.192 2.636 5.863 1.00 0.00 C ATOM 911 CG2 ILE A 61 8.018 0.450 6.228 1.00 0.00 C ATOM 912 CD1 ILE A 61 9.522 2.232 4.444 1.00 0.00 C ATOM 0 H ILE A 61 6.861 4.483 6.436 1.00 0.00 H new ATOM 0 HA ILE A 61 6.601 2.089 4.730 1.00 0.00 H new ATOM 0 HB ILE A 61 7.873 2.167 7.485 1.00 0.00 H new ATOM 0 HG12 ILE A 61 9.058 3.717 5.902 1.00 0.00 H new ATOM 0 HG13 ILE A 61 10.039 2.397 6.506 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.913 0.069 6.720 1.00 0.00 H new ATOM 0 HG22 ILE A 61 7.136 -0.019 6.664 1.00 0.00 H new ATOM 0 HG23 ILE A 61 8.063 0.219 5.164 1.00 0.00 H new ATOM 0 HD11 ILE A 61 10.423 2.752 4.118 1.00 0.00 H new ATOM 0 HD12 ILE A 61 9.689 1.156 4.402 1.00 0.00 H new ATOM 0 HD13 ILE A 61 8.693 2.497 3.788 1.00 0.00 H new ATOM 924 N ILE A 62 4.537 1.395 5.915 1.00 0.00 N ATOM 925 CA ILE A 62 3.319 0.953 6.583 1.00 0.00 C ATOM 926 C ILE A 62 3.501 -0.430 7.197 1.00 0.00 C ATOM 927 O ILE A 62 4.066 -1.328 6.574 1.00 0.00 O ATOM 928 CB ILE A 62 2.124 0.920 5.613 1.00 0.00 C ATOM 929 CG1 ILE A 62 1.669 2.342 5.281 1.00 0.00 C ATOM 930 CG2 ILE A 62 0.979 0.116 6.210 1.00 0.00 C ATOM 931 CD1 ILE A 62 0.555 2.396 4.258 1.00 0.00 C ATOM 0 H ILE A 62 4.617 1.096 4.943 1.00 0.00 H new ATOM 0 HA ILE A 62 3.113 1.675 7.374 1.00 0.00 H new ATOM 0 HB ILE A 62 2.438 0.435 4.689 1.00 0.00 H new ATOM 0 HG12 ILE A 62 1.335 2.831 6.196 1.00 0.00 H new ATOM 0 HG13 ILE A 62 2.521 2.910 4.909 1.00 0.00 H new ATOM 0 HG21 ILE A 62 0.142 0.102 5.512 1.00 0.00 H new ATOM 0 HG22 ILE A 62 1.311 -0.905 6.399 1.00 0.00 H new ATOM 0 HG23 ILE A 62 0.663 0.574 7.147 1.00 0.00 H new ATOM 0 HD11 ILE A 62 0.283 3.435 4.071 1.00 0.00 H new ATOM 0 HD12 ILE A 62 0.892 1.936 3.329 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.313 1.856 4.636 1.00 0.00 H new ATOM 943 N ALA A 63 3.014 -0.597 8.423 1.00 0.00 N ATOM 944 CA ALA A 63 3.119 -1.873 9.121 1.00 0.00 C ATOM 945 C ALA A 63 1.815 -2.658 9.027 1.00 0.00 C ATOM 946 O ALA A 63 0.769 -2.200 9.488 1.00 0.00 O ATOM 947 CB ALA A 63 3.498 -1.648 10.576 1.00 0.00 C ATOM 0 H ALA A 63 2.543 0.136 8.953 1.00 0.00 H new ATOM 0 HA ALA A 63 3.902 -2.460 8.640 1.00 0.00 H new ATOM 0 HB1 ALA A 63 3.573 -2.609 11.085 1.00 0.00 H new ATOM 0 HB2 ALA A 63 4.458 -1.135 10.627 1.00 0.00 H new ATOM 0 HB3 ALA A 63 2.735 -1.039 11.061 1.00 0.00 H new ATOM 953 N ILE A 64 1.884 -3.841 8.425 1.00 0.00 N ATOM 954 CA ILE A 64 0.709 -4.689 8.271 1.00 0.00 C ATOM 955 C ILE A 64 0.819 -5.943 9.133 1.00 0.00 C ATOM 956 O ILE A 64 1.783 -6.702 9.025 1.00 0.00 O ATOM 957 CB ILE A 64 0.503 -5.105 6.804 1.00 0.00 C ATOM 958 CG1 ILE A 64 0.366 -3.868 5.914 1.00 0.00 C ATOM 959 CG2 ILE A 64 -0.723 -5.997 6.672 1.00 0.00 C ATOM 960 CD1 ILE A 64 0.286 -4.190 4.438 1.00 0.00 C ATOM 0 H ILE A 64 2.741 -4.233 8.036 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.149 -4.101 8.597 1.00 0.00 H new ATOM 0 HB ILE A 64 1.376 -5.670 6.477 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -0.528 -3.318 6.206 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.217 -3.209 6.088 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -0.855 -6.282 5.628 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -0.589 -6.892 7.279 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.605 -5.456 7.014 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.190 -3.266 3.869 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.191 -4.713 4.130 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.581 -4.823 4.250 1.00 0.00 H new ATOM 972 N THR A 65 -0.176 -6.155 9.989 1.00 0.00 N ATOM 973 CA THR A 65 -0.192 -7.318 10.868 1.00 0.00 C ATOM 974 C THR A 65 -1.130 -8.396 10.338 1.00 0.00 C ATOM 975 O THR A 65 -2.227 -8.101 9.866 1.00 0.00 O ATOM 976 CB THR A 65 -0.622 -6.934 12.297 1.00 0.00 C ATOM 977 OG1 THR A 65 0.262 -5.941 12.825 1.00 0.00 O ATOM 978 CG2 THR A 65 -0.625 -8.154 13.206 1.00 0.00 C ATOM 0 H THR A 65 -0.981 -5.537 10.092 1.00 0.00 H new ATOM 0 HA THR A 65 0.825 -7.709 10.895 1.00 0.00 H new ATOM 0 HB THR A 65 -1.634 -6.531 12.253 1.00 0.00 H new ATOM 0 HG1 THR A 65 -0.020 -5.702 13.733 1.00 0.00 H new ATOM 0 HG21 THR A 65 -0.932 -7.859 14.210 1.00 0.00 H new ATOM 0 HG22 THR A 65 -1.322 -8.896 12.817 1.00 0.00 H new ATOM 0 HG23 THR A 65 0.377 -8.582 13.244 1.00 0.00 H new ATOM 986 N GLY A 66 -0.691 -9.648 10.421 1.00 0.00 N ATOM 987 CA GLY A 66 -1.505 -10.752 9.945 1.00 0.00 C ATOM 988 C GLY A 66 -0.690 -12.002 9.680 1.00 0.00 C ATOM 989 O GLY A 66 0.542 -11.958 9.668 1.00 0.00 O ATOM 0 H GLY A 66 0.213 -9.918 10.809 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -2.276 -10.975 10.682 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -2.016 -10.454 9.029 1.00 0.00 H new ATOM 993 N LEU A 67 -1.375 -13.120 9.469 1.00 0.00 N ATOM 994 CA LEU A 67 -0.706 -14.389 9.203 1.00 0.00 C ATOM 995 C LEU A 67 0.110 -14.316 7.917 1.00 0.00 C ATOM 996 O LEU A 67 -0.333 -13.745 6.922 1.00 0.00 O ATOM 997 CB LEU A 67 -1.733 -15.518 9.107 1.00 0.00 C ATOM 998 CG LEU A 67 -2.306 -16.021 10.433 1.00 0.00 C ATOM 999 CD1 LEU A 67 -3.359 -17.091 10.188 1.00 0.00 C ATOM 1000 CD2 LEU A 67 -1.196 -16.556 11.325 1.00 0.00 C ATOM 0 H LEU A 67 -2.394 -13.174 9.477 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.026 -14.594 10.030 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.560 -15.178 8.483 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.270 -16.360 8.592 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.781 -15.183 10.943 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.755 -17.437 11.143 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.168 -16.674 9.589 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.909 -17.930 9.657 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.622 -16.909 12.264 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.691 -17.381 10.822 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.478 -15.761 11.529 1.00 0.00 H new ATOM 1012 N ALA A 68 1.303 -14.901 7.946 1.00 0.00 N ATOM 1013 CA ALA A 68 2.179 -14.906 6.780 1.00 0.00 C ATOM 1014 C ALA A 68 1.376 -15.042 5.491 1.00 0.00 C ATOM 1015 O ALA A 68 1.687 -14.403 4.486 1.00 0.00 O ATOM 1016 CB ALA A 68 3.197 -16.031 6.891 1.00 0.00 C ATOM 0 H ALA A 68 1.685 -15.377 8.763 1.00 0.00 H new ATOM 0 HA ALA A 68 2.708 -13.953 6.749 1.00 0.00 H new ATOM 0 HB1 ALA A 68 3.845 -16.023 6.014 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.799 -15.889 7.788 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.677 -16.987 6.950 1.00 0.00 H new ATOM 1022 N ALA A 69 0.344 -15.878 5.526 1.00 0.00 N ATOM 1023 CA ALA A 69 -0.504 -16.096 4.362 1.00 0.00 C ATOM 1024 C ALA A 69 -1.294 -14.838 4.013 1.00 0.00 C ATOM 1025 O ALA A 69 -1.329 -14.416 2.859 1.00 0.00 O ATOM 1026 CB ALA A 69 -1.448 -17.263 4.607 1.00 0.00 C ATOM 0 H ALA A 69 0.075 -16.416 6.350 1.00 0.00 H new ATOM 0 HA ALA A 69 0.140 -16.335 3.515 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.075 -17.414 3.729 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -0.868 -18.166 4.798 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.078 -17.047 5.470 1.00 0.00 H new ATOM 1032 N ASN A 70 -1.925 -14.245 5.021 1.00 0.00 N ATOM 1033 CA ASN A 70 -2.716 -13.036 4.821 1.00 0.00 C ATOM 1034 C ASN A 70 -1.827 -11.867 4.405 1.00 0.00 C ATOM 1035 O ASN A 70 -2.144 -11.134 3.468 1.00 0.00 O ATOM 1036 CB ASN A 70 -3.478 -12.681 6.100 1.00 0.00 C ATOM 1037 CG ASN A 70 -4.358 -13.818 6.581 1.00 0.00 C ATOM 1038 OD1 ASN A 70 -4.678 -14.734 5.823 1.00 0.00 O ATOM 1039 ND2 ASN A 70 -4.756 -13.763 7.847 1.00 0.00 N ATOM 0 H ASN A 70 -1.904 -14.581 5.984 1.00 0.00 H new ATOM 0 HA ASN A 70 -3.432 -13.229 4.022 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -2.766 -12.419 6.883 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -4.093 -11.799 5.921 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -5.351 -14.499 8.227 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -4.466 -12.985 8.439 1.00 0.00 H new ATOM 1046 N LEU A 71 -0.713 -11.699 5.108 1.00 0.00 N ATOM 1047 CA LEU A 71 0.224 -10.620 4.812 1.00 0.00 C ATOM 1048 C LEU A 71 0.552 -10.578 3.324 1.00 0.00 C ATOM 1049 O LEU A 71 0.701 -9.503 2.742 1.00 0.00 O ATOM 1050 CB LEU A 71 1.508 -10.796 5.626 1.00 0.00 C ATOM 1051 CG LEU A 71 1.338 -10.847 7.145 1.00 0.00 C ATOM 1052 CD1 LEU A 71 2.633 -11.285 7.811 1.00 0.00 C ATOM 1053 CD2 LEU A 71 0.894 -9.493 7.678 1.00 0.00 C ATOM 0 H LEU A 71 -0.436 -12.296 5.887 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.246 -9.676 5.088 1.00 0.00 H new ATOM 0 HB2 LEU A 71 1.995 -11.716 5.304 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.184 -9.976 5.383 1.00 0.00 H new ATOM 0 HG LEU A 71 0.565 -11.579 7.381 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.494 -11.316 8.892 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.909 -12.276 7.452 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.425 -10.577 7.567 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.778 -9.548 8.760 1.00 0.00 H new ATOM 0 HD22 LEU A 71 1.644 -8.741 7.431 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.058 -9.218 7.225 1.00 0.00 H new ATOM 1065 N ASP A 72 0.663 -11.753 2.713 1.00 0.00 N ATOM 1066 CA ASP A 72 0.971 -11.850 1.292 1.00 0.00 C ATOM 1067 C ASP A 72 -0.169 -11.286 0.449 1.00 0.00 C ATOM 1068 O ASP A 72 -0.005 -10.281 -0.242 1.00 0.00 O ATOM 1069 CB ASP A 72 1.236 -13.306 0.904 1.00 0.00 C ATOM 1070 CG ASP A 72 2.696 -13.688 1.057 1.00 0.00 C ATOM 1071 OD1 ASP A 72 3.526 -13.184 0.274 1.00 0.00 O ATOM 1072 OD2 ASP A 72 3.006 -14.493 1.961 1.00 0.00 O ATOM 0 H ASP A 72 0.544 -12.652 3.181 1.00 0.00 H new ATOM 0 HA ASP A 72 1.868 -11.261 1.099 1.00 0.00 H new ATOM 0 HB2 ASP A 72 0.625 -13.962 1.524 1.00 0.00 H new ATOM 0 HB3 ASP A 72 0.928 -13.466 -0.129 1.00 0.00 H new ATOM 1077 N ARG A 73 -1.324 -11.941 0.511 1.00 0.00 N ATOM 1078 CA ARG A 73 -2.490 -11.506 -0.248 1.00 0.00 C ATOM 1079 C ARG A 73 -2.762 -10.022 -0.025 1.00 0.00 C ATOM 1080 O ARG A 73 -3.045 -9.284 -0.968 1.00 0.00 O ATOM 1081 CB ARG A 73 -3.719 -12.326 0.150 1.00 0.00 C ATOM 1082 CG ARG A 73 -3.937 -12.405 1.653 1.00 0.00 C ATOM 1083 CD ARG A 73 -5.136 -13.275 1.996 1.00 0.00 C ATOM 1084 NE ARG A 73 -4.822 -14.699 1.905 1.00 0.00 N ATOM 1085 CZ ARG A 73 -5.744 -15.655 1.866 1.00 0.00 C ATOM 1086 NH1 ARG A 73 -7.031 -15.339 1.909 1.00 0.00 N ATOM 1087 NH2 ARG A 73 -5.379 -16.927 1.783 1.00 0.00 N ATOM 0 H ARG A 73 -1.477 -12.774 1.079 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.283 -11.664 -1.306 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -4.603 -11.889 -0.315 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -3.616 -13.336 -0.247 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -3.044 -12.809 2.131 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -4.087 -11.402 2.053 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -5.476 -13.042 3.005 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -5.959 -13.041 1.321 1.00 0.00 H new ATOM 0 HE ARG A 73 -3.841 -14.975 1.869 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -7.314 -14.361 1.972 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -7.738 -16.074 1.879 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -4.390 -17.172 1.749 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -6.088 -17.660 1.753 1.00 0.00 H new ATOM 1101 N ALA A 74 -2.671 -9.590 1.229 1.00 0.00 N ATOM 1102 CA ALA A 74 -2.906 -8.194 1.576 1.00 0.00 C ATOM 1103 C ALA A 74 -1.830 -7.293 0.981 1.00 0.00 C ATOM 1104 O ALA A 74 -2.126 -6.374 0.216 1.00 0.00 O ATOM 1105 CB ALA A 74 -2.960 -8.027 3.087 1.00 0.00 C ATOM 0 H ALA A 74 -2.436 -10.187 2.022 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.866 -7.897 1.155 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -3.136 -6.979 3.331 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -3.769 -8.635 3.492 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.013 -8.347 3.522 1.00 0.00 H new ATOM 1111 N LYS A 75 -0.577 -7.560 1.337 1.00 0.00 N ATOM 1112 CA LYS A 75 0.545 -6.773 0.838 1.00 0.00 C ATOM 1113 C LYS A 75 0.513 -6.685 -0.685 1.00 0.00 C ATOM 1114 O LYS A 75 0.881 -5.664 -1.265 1.00 0.00 O ATOM 1115 CB LYS A 75 1.869 -7.389 1.296 1.00 0.00 C ATOM 1116 CG LYS A 75 3.087 -6.563 0.918 1.00 0.00 C ATOM 1117 CD LYS A 75 4.379 -7.297 1.235 1.00 0.00 C ATOM 1118 CE LYS A 75 5.578 -6.613 0.597 1.00 0.00 C ATOM 1119 NZ LYS A 75 6.799 -7.464 0.659 1.00 0.00 N ATOM 0 H LYS A 75 -0.313 -8.316 1.969 1.00 0.00 H new ATOM 0 HA LYS A 75 0.460 -5.765 1.244 1.00 0.00 H new ATOM 0 HB2 LYS A 75 1.847 -7.514 2.379 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.966 -8.384 0.862 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.053 -6.328 -0.146 1.00 0.00 H new ATOM 0 HG3 LYS A 75 3.065 -5.615 1.455 1.00 0.00 H new ATOM 0 HD2 LYS A 75 4.517 -7.343 2.315 1.00 0.00 H new ATOM 0 HD3 LYS A 75 4.312 -8.325 0.878 1.00 0.00 H new ATOM 0 HE2 LYS A 75 5.351 -6.378 -0.443 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.769 -5.667 1.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 7.594 -6.963 0.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 7.030 -7.668 1.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 6.626 -8.357 0.154 1.00 0.00 H new ATOM 1133 N ALA A 76 0.070 -7.761 -1.327 1.00 0.00 N ATOM 1134 CA ALA A 76 -0.014 -7.803 -2.781 1.00 0.00 C ATOM 1135 C ALA A 76 -0.960 -6.730 -3.307 1.00 0.00 C ATOM 1136 O ALA A 76 -0.700 -6.111 -4.339 1.00 0.00 O ATOM 1137 CB ALA A 76 -0.464 -9.181 -3.245 1.00 0.00 C ATOM 0 H ALA A 76 -0.236 -8.616 -0.862 1.00 0.00 H new ATOM 0 HA ALA A 76 0.979 -7.603 -3.183 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -0.522 -9.197 -4.333 1.00 0.00 H new ATOM 0 HB2 ALA A 76 0.253 -9.930 -2.909 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -1.445 -9.404 -2.826 1.00 0.00 H new ATOM 1143 N GLY A 77 -2.061 -6.515 -2.593 1.00 0.00 N ATOM 1144 CA GLY A 77 -3.030 -5.516 -3.006 1.00 0.00 C ATOM 1145 C GLY A 77 -2.502 -4.103 -2.861 1.00 0.00 C ATOM 1146 O GLY A 77 -2.671 -3.275 -3.757 1.00 0.00 O ATOM 0 H GLY A 77 -2.299 -7.015 -1.736 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -3.308 -5.692 -4.045 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -3.936 -5.625 -2.410 1.00 0.00 H new ATOM 1150 N LEU A 78 -1.864 -3.824 -1.731 1.00 0.00 N ATOM 1151 CA LEU A 78 -1.311 -2.499 -1.470 1.00 0.00 C ATOM 1152 C LEU A 78 -0.246 -2.141 -2.502 1.00 0.00 C ATOM 1153 O LEU A 78 -0.380 -1.159 -3.233 1.00 0.00 O ATOM 1154 CB LEU A 78 -0.714 -2.442 -0.063 1.00 0.00 C ATOM 1155 CG LEU A 78 -0.571 -1.048 0.549 1.00 0.00 C ATOM 1156 CD1 LEU A 78 -1.937 -0.404 0.733 1.00 0.00 C ATOM 1157 CD2 LEU A 78 0.169 -1.121 1.876 1.00 0.00 C ATOM 0 H LEU A 78 -1.716 -4.498 -0.979 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.121 -1.773 -1.544 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.336 -3.045 0.599 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.271 -2.909 -0.089 1.00 0.00 H new ATOM 0 HG LEU A 78 0.011 -0.430 -0.135 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -1.816 0.587 1.170 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -2.431 -0.317 -0.235 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.544 -1.021 1.396 1.00 0.00 H new ATOM 0 HD21 LEU A 78 0.261 -0.120 2.297 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -0.386 -1.755 2.567 1.00 0.00 H new ATOM 0 HD23 LEU A 78 1.162 -1.540 1.716 1.00 0.00 H new ATOM 1169 N LEU A 79 0.810 -2.946 -2.558 1.00 0.00 N ATOM 1170 CA LEU A 79 1.898 -2.714 -3.502 1.00 0.00 C ATOM 1171 C LEU A 79 1.359 -2.230 -4.845 1.00 0.00 C ATOM 1172 O LEU A 79 1.843 -1.242 -5.397 1.00 0.00 O ATOM 1173 CB LEU A 79 2.709 -3.997 -3.698 1.00 0.00 C ATOM 1174 CG LEU A 79 3.666 -4.366 -2.563 1.00 0.00 C ATOM 1175 CD1 LEU A 79 4.240 -5.757 -2.780 1.00 0.00 C ATOM 1176 CD2 LEU A 79 4.782 -3.338 -2.450 1.00 0.00 C ATOM 0 H LEU A 79 0.936 -3.764 -1.962 1.00 0.00 H new ATOM 0 HA LEU A 79 2.546 -1.940 -3.091 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.014 -4.824 -3.844 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.287 -3.901 -4.617 1.00 0.00 H new ATOM 0 HG LEU A 79 3.106 -4.368 -1.628 1.00 0.00 H new ATOM 0 HD11 LEU A 79 4.918 -6.002 -1.963 1.00 0.00 H new ATOM 0 HD12 LEU A 79 3.429 -6.485 -2.809 1.00 0.00 H new ATOM 0 HD13 LEU A 79 4.785 -5.783 -3.724 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.453 -3.617 -1.637 1.00 0.00 H new ATOM 0 HD22 LEU A 79 5.340 -3.303 -3.386 1.00 0.00 H new ATOM 0 HD23 LEU A 79 4.354 -2.357 -2.246 1.00 0.00 H new ATOM 1188 N GLU A 80 0.356 -2.931 -5.363 1.00 0.00 N ATOM 1189 CA GLU A 80 -0.247 -2.571 -6.640 1.00 0.00 C ATOM 1190 C GLU A 80 -0.987 -1.239 -6.535 1.00 0.00 C ATOM 1191 O GLU A 80 -0.943 -0.420 -7.453 1.00 0.00 O ATOM 1192 CB GLU A 80 -1.211 -3.666 -7.102 1.00 0.00 C ATOM 1193 CG GLU A 80 -0.529 -4.801 -7.847 1.00 0.00 C ATOM 1194 CD GLU A 80 -1.435 -5.454 -8.873 1.00 0.00 C ATOM 1195 OE1 GLU A 80 -2.186 -6.378 -8.497 1.00 0.00 O ATOM 1196 OE2 GLU A 80 -1.395 -5.040 -10.050 1.00 0.00 O ATOM 0 H GLU A 80 -0.056 -3.751 -4.918 1.00 0.00 H new ATOM 0 HA GLU A 80 0.552 -2.468 -7.374 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -1.730 -4.072 -6.234 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -1.969 -3.223 -7.747 1.00 0.00 H new ATOM 0 HG2 GLU A 80 0.362 -4.420 -8.345 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -0.197 -5.553 -7.131 1.00 0.00 H new ATOM 1203 N ARG A 81 -1.666 -1.033 -5.412 1.00 0.00 N ATOM 1204 CA ARG A 81 -2.416 0.197 -5.188 1.00 0.00 C ATOM 1205 C ARG A 81 -1.493 1.411 -5.228 1.00 0.00 C ATOM 1206 O ARG A 81 -1.856 2.462 -5.758 1.00 0.00 O ATOM 1207 CB ARG A 81 -3.142 0.139 -3.842 1.00 0.00 C ATOM 1208 CG ARG A 81 -4.430 0.943 -3.809 1.00 0.00 C ATOM 1209 CD ARG A 81 -5.609 0.128 -4.319 1.00 0.00 C ATOM 1210 NE ARG A 81 -6.833 0.922 -4.393 1.00 0.00 N ATOM 1211 CZ ARG A 81 -7.853 0.628 -5.192 1.00 0.00 C ATOM 1212 NH1 ARG A 81 -7.796 -0.438 -5.980 1.00 0.00 N ATOM 1213 NH2 ARG A 81 -8.933 1.398 -5.203 1.00 0.00 N ATOM 0 H ARG A 81 -1.712 -1.702 -4.643 1.00 0.00 H new ATOM 0 HA ARG A 81 -3.152 0.295 -5.986 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -3.367 -0.901 -3.605 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -2.474 0.507 -3.063 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -4.628 1.273 -2.789 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -4.316 1.840 -4.418 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -5.375 -0.269 -5.307 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -5.770 -0.726 -3.662 1.00 0.00 H new ATOM 0 HE ARG A 81 -6.909 1.747 -3.799 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -6.968 -1.034 -5.973 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -8.580 -0.662 -6.593 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -8.981 2.217 -4.597 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -9.715 1.171 -5.817 1.00 0.00 H new ATOM 1227 N VAL A 82 -0.300 1.260 -4.663 1.00 0.00 N ATOM 1228 CA VAL A 82 0.675 2.344 -4.635 1.00 0.00 C ATOM 1229 C VAL A 82 1.254 2.599 -6.022 1.00 0.00 C ATOM 1230 O VAL A 82 1.215 3.721 -6.527 1.00 0.00 O ATOM 1231 CB VAL A 82 1.827 2.039 -3.659 1.00 0.00 C ATOM 1232 CG1 VAL A 82 2.887 3.127 -3.726 1.00 0.00 C ATOM 1233 CG2 VAL A 82 1.296 1.886 -2.241 1.00 0.00 C ATOM 0 H VAL A 82 0.015 0.398 -4.218 1.00 0.00 H new ATOM 0 HA VAL A 82 0.147 3.235 -4.295 1.00 0.00 H new ATOM 0 HB VAL A 82 2.290 1.097 -3.953 1.00 0.00 H new ATOM 0 HG11 VAL A 82 3.692 2.894 -3.030 1.00 0.00 H new ATOM 0 HG12 VAL A 82 3.287 3.183 -4.738 1.00 0.00 H new ATOM 0 HG13 VAL A 82 2.442 4.085 -3.458 1.00 0.00 H new ATOM 0 HG21 VAL A 82 2.123 1.671 -1.564 1.00 0.00 H new ATOM 0 HG22 VAL A 82 0.807 2.810 -1.934 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.577 1.067 -2.208 1.00 0.00 H new ATOM 1243 N LYS A 83 1.792 1.549 -6.635 1.00 0.00 N ATOM 1244 CA LYS A 83 2.378 1.657 -7.966 1.00 0.00 C ATOM 1245 C LYS A 83 1.378 2.249 -8.954 1.00 0.00 C ATOM 1246 O LYS A 83 1.744 3.051 -9.813 1.00 0.00 O ATOM 1247 CB LYS A 83 2.841 0.283 -8.454 1.00 0.00 C ATOM 1248 CG LYS A 83 3.797 -0.412 -7.500 1.00 0.00 C ATOM 1249 CD LYS A 83 3.680 -1.924 -7.595 1.00 0.00 C ATOM 1250 CE LYS A 83 4.194 -2.439 -8.931 1.00 0.00 C ATOM 1251 NZ LYS A 83 3.118 -2.483 -9.960 1.00 0.00 N ATOM 0 H LYS A 83 1.834 0.613 -6.231 1.00 0.00 H new ATOM 0 HA LYS A 83 3.239 2.323 -7.904 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.968 -0.352 -8.607 1.00 0.00 H new ATOM 0 HB3 LYS A 83 3.327 0.396 -9.423 1.00 0.00 H new ATOM 0 HG2 LYS A 83 4.820 -0.111 -7.725 1.00 0.00 H new ATOM 0 HG3 LYS A 83 3.588 -0.094 -6.479 1.00 0.00 H new ATOM 0 HD2 LYS A 83 4.244 -2.385 -6.784 1.00 0.00 H new ATOM 0 HD3 LYS A 83 2.638 -2.218 -7.467 1.00 0.00 H new ATOM 0 HE2 LYS A 83 5.004 -1.798 -9.280 1.00 0.00 H new ATOM 0 HE3 LYS A 83 4.611 -3.437 -8.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 3.247 -3.321 -10.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 2.191 -2.533 -9.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 3.163 -1.626 -10.547 1.00 0.00 H new ATOM 1265 N GLU A 84 0.118 1.850 -8.825 1.00 0.00 N ATOM 1266 CA GLU A 84 -0.933 2.342 -9.708 1.00 0.00 C ATOM 1267 C GLU A 84 -1.349 3.758 -9.321 1.00 0.00 C ATOM 1268 O GLU A 84 -1.480 4.635 -10.177 1.00 0.00 O ATOM 1269 CB GLU A 84 -2.147 1.412 -9.661 1.00 0.00 C ATOM 1270 CG GLU A 84 -2.084 0.277 -10.670 1.00 0.00 C ATOM 1271 CD GLU A 84 -2.602 0.683 -12.036 1.00 0.00 C ATOM 1272 OE1 GLU A 84 -2.145 1.719 -12.561 1.00 0.00 O ATOM 1273 OE2 GLU A 84 -3.465 -0.037 -12.581 1.00 0.00 O ATOM 0 H GLU A 84 -0.201 1.188 -8.118 1.00 0.00 H new ATOM 0 HA GLU A 84 -0.539 2.362 -10.724 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -2.234 0.992 -8.659 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -3.049 1.997 -9.840 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.053 -0.065 -10.763 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -2.667 -0.566 -10.300 1.00 0.00 H new ATOM 1280 N LEU A 85 -1.555 3.975 -8.027 1.00 0.00 N ATOM 1281 CA LEU A 85 -1.957 5.286 -7.525 1.00 0.00 C ATOM 1282 C LEU A 85 -0.976 6.364 -7.974 1.00 0.00 C ATOM 1283 O LEU A 85 -1.360 7.323 -8.645 1.00 0.00 O ATOM 1284 CB LEU A 85 -2.043 5.263 -5.998 1.00 0.00 C ATOM 1285 CG LEU A 85 -3.344 4.720 -5.408 1.00 0.00 C ATOM 1286 CD1 LEU A 85 -3.156 4.359 -3.943 1.00 0.00 C ATOM 1287 CD2 LEU A 85 -4.468 5.734 -5.569 1.00 0.00 C ATOM 0 H LEU A 85 -1.451 3.261 -7.306 1.00 0.00 H new ATOM 0 HA LEU A 85 -2.939 5.521 -7.935 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.216 4.664 -5.616 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.897 6.279 -5.630 1.00 0.00 H new ATOM 0 HG LEU A 85 -3.617 3.816 -5.952 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -4.093 3.974 -3.540 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.382 3.597 -3.852 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -2.858 5.247 -3.385 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.386 5.330 -5.143 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -4.203 6.656 -5.052 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -4.620 5.943 -6.628 1.00 0.00 H new