USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 765 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 74 CYS SG : rot 180:sc= -0.972 USER MOD Set 1.2: A 132 ASN : amide:sc= 0.428 K(o=-0.54,f=-13!) USER MOD Set 2.1: A 26 THR OG1 : rot -134:sc= 1.46 USER MOD Set 2.2: A 29 HIS : no HD1:sc= -1.71 K(o=-0.25,f=-3.3) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.316 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.0263 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN :FLIP amide:sc= -0.34 F(o=-1.2,f=-0.34) USER MOD Single : A 66 CYS SG : rot -169:sc= 0.189 USER MOD Single : A 72 THR OG1 : rot -132:sc= 0.246 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -1.78! C(o=-1.8!,f=-7.7!) USER MOD Single : A 83 GLN : amide:sc= -1.2 K(o=-1.2,f=-2.3!) USER MOD Single : A 87 MET CE :methyl -161:sc= -7.26! (180deg=-9.7!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 79:sc= -2.21! USER MOD Single : A 97 ASN : amide:sc=-0.00355 X(o=-0.0036,f=-0.01) USER MOD Single : A 98 SER OG : rot 160:sc= -0.401 USER MOD Single : A 102 MET CE :methyl -162:sc= -3.81! (180deg=-6!) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot 119:sc= -0.829! USER MOD Single : A 107 MET CE :methyl -106:sc= -0.289 (180deg=-1.6) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 126 THR OG1 : rot 180:sc= 0 USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 ASN : amide:sc= -0.287 X(o=-0.29,f=-0.24) USER MOD Single : A 134 SER OG : rot -130:sc= -0.0537 USER MOD ----------------------------------------------------------------- ATOM 205 N PHE A 16 16.413 0.149 -5.813 1.00 0.00 N ATOM 206 CA PHE A 16 14.980 0.133 -5.574 1.00 0.00 C ATOM 207 C PHE A 16 14.319 1.400 -6.121 1.00 0.00 C ATOM 208 O PHE A 16 14.979 2.422 -6.298 1.00 0.00 O ATOM 209 CB PHE A 16 14.779 0.080 -4.059 1.00 0.00 C ATOM 210 CG PHE A 16 15.217 -1.239 -3.418 1.00 0.00 C ATOM 211 CD1 PHE A 16 16.533 -1.582 -3.400 1.00 0.00 C ATOM 212 CD2 PHE A 16 14.290 -2.068 -2.867 1.00 0.00 C ATOM 213 CE1 PHE A 16 16.939 -2.805 -2.805 1.00 0.00 C ATOM 214 CE2 PHE A 16 14.697 -3.292 -2.273 1.00 0.00 C ATOM 215 CZ PHE A 16 16.013 -3.635 -2.254 1.00 0.00 C ATOM 0 HA PHE A 16 14.529 -0.724 -6.074 1.00 0.00 H new ATOM 0 HB2 PHE A 16 15.336 0.897 -3.600 1.00 0.00 H new ATOM 0 HB3 PHE A 16 13.725 0.248 -3.837 1.00 0.00 H new ATOM 0 HD1 PHE A 16 17.269 -0.924 -3.838 1.00 0.00 H new ATOM 0 HD2 PHE A 16 13.245 -1.796 -2.881 1.00 0.00 H new ATOM 0 HE1 PHE A 16 17.984 -3.077 -2.790 1.00 0.00 H new ATOM 0 HE2 PHE A 16 13.961 -3.951 -1.836 1.00 0.00 H new ATOM 0 HZ PHE A 16 16.322 -4.566 -1.802 1.00 0.00 H new ATOM 225 N VAL A 17 13.023 1.291 -6.373 1.00 0.00 N ATOM 226 CA VAL A 17 12.265 2.415 -6.896 1.00 0.00 C ATOM 227 C VAL A 17 11.568 3.136 -5.740 1.00 0.00 C ATOM 228 O VAL A 17 11.654 2.704 -4.592 1.00 0.00 O ATOM 229 CB VAL A 17 11.292 1.934 -7.974 1.00 0.00 C ATOM 230 CG1 VAL A 17 10.174 1.085 -7.365 1.00 0.00 C ATOM 231 CG2 VAL A 17 10.718 3.114 -8.761 1.00 0.00 C ATOM 0 H VAL A 17 12.478 0.441 -6.225 1.00 0.00 H new ATOM 0 HA VAL A 17 12.929 3.134 -7.375 1.00 0.00 H new ATOM 0 HB VAL A 17 11.848 1.306 -8.670 1.00 0.00 H new ATOM 0 HG11 VAL A 17 9.497 0.756 -8.153 1.00 0.00 H new ATOM 0 HG12 VAL A 17 10.606 0.215 -6.871 1.00 0.00 H new ATOM 0 HG13 VAL A 17 9.622 1.679 -6.636 1.00 0.00 H new ATOM 0 HG21 VAL A 17 10.030 2.744 -9.521 1.00 0.00 H new ATOM 0 HG22 VAL A 17 10.185 3.780 -8.082 1.00 0.00 H new ATOM 0 HG23 VAL A 17 11.530 3.660 -9.242 1.00 0.00 H new ATOM 241 N LYS A 18 10.892 4.222 -6.085 1.00 0.00 N ATOM 242 CA LYS A 18 10.180 5.007 -5.090 1.00 0.00 C ATOM 243 C LYS A 18 8.707 5.112 -5.489 1.00 0.00 C ATOM 244 O LYS A 18 8.343 4.800 -6.621 1.00 0.00 O ATOM 245 CB LYS A 18 10.861 6.363 -4.890 1.00 0.00 C ATOM 246 CG LYS A 18 12.322 6.186 -4.472 1.00 0.00 C ATOM 247 CD LYS A 18 12.554 6.709 -3.053 1.00 0.00 C ATOM 248 CE LYS A 18 14.038 6.986 -2.806 1.00 0.00 C ATOM 249 NZ LYS A 18 14.339 8.421 -3.013 1.00 0.00 N ATOM 0 H LYS A 18 10.822 4.577 -7.039 1.00 0.00 H new ATOM 0 HA LYS A 18 10.214 4.513 -4.119 1.00 0.00 H new ATOM 0 HB2 LYS A 18 10.811 6.939 -5.814 1.00 0.00 H new ATOM 0 HB3 LYS A 18 10.328 6.933 -4.129 1.00 0.00 H new ATOM 0 HG2 LYS A 18 12.593 5.132 -4.524 1.00 0.00 H new ATOM 0 HG3 LYS A 18 12.970 6.717 -5.169 1.00 0.00 H new ATOM 0 HD2 LYS A 18 11.980 7.623 -2.900 1.00 0.00 H new ATOM 0 HD3 LYS A 18 12.191 5.979 -2.329 1.00 0.00 H new ATOM 0 HE2 LYS A 18 14.304 6.695 -1.790 1.00 0.00 H new ATOM 0 HE3 LYS A 18 14.644 6.380 -3.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 15.350 8.592 -2.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 14.104 8.688 -3.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 13.774 8.993 -2.353 1.00 0.00 H new ATOM 263 N VAL A 19 7.899 5.553 -4.536 1.00 0.00 N ATOM 264 CA VAL A 19 6.473 5.703 -4.773 1.00 0.00 C ATOM 265 C VAL A 19 6.244 6.835 -5.777 1.00 0.00 C ATOM 266 O VAL A 19 5.526 6.661 -6.760 1.00 0.00 O ATOM 267 CB VAL A 19 5.742 5.922 -3.447 1.00 0.00 C ATOM 268 CG1 VAL A 19 4.245 6.138 -3.675 1.00 0.00 C ATOM 269 CG2 VAL A 19 5.989 4.758 -2.486 1.00 0.00 C ATOM 0 H VAL A 19 8.205 5.811 -3.598 1.00 0.00 H new ATOM 0 HA VAL A 19 6.060 4.793 -5.209 1.00 0.00 H new ATOM 0 HB VAL A 19 6.144 6.825 -2.988 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.749 6.291 -2.716 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.096 7.015 -4.305 1.00 0.00 H new ATOM 0 HG13 VAL A 19 3.822 5.262 -4.166 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.458 4.939 -1.551 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.628 3.833 -2.935 1.00 0.00 H new ATOM 0 HG23 VAL A 19 7.057 4.672 -2.286 1.00 0.00 H new ATOM 279 N GLU A 20 6.867 7.969 -5.493 1.00 0.00 N ATOM 280 CA GLU A 20 6.740 9.129 -6.359 1.00 0.00 C ATOM 281 C GLU A 20 7.361 8.841 -7.727 1.00 0.00 C ATOM 282 O GLU A 20 7.170 9.604 -8.673 1.00 0.00 O ATOM 283 CB GLU A 20 7.376 10.364 -5.718 1.00 0.00 C ATOM 284 CG GLU A 20 8.900 10.326 -5.847 1.00 0.00 C ATOM 285 CD GLU A 20 9.532 11.595 -5.272 1.00 0.00 C ATOM 286 OE1 GLU A 20 9.278 12.670 -5.857 1.00 0.00 O ATOM 287 OE2 GLU A 20 10.254 11.462 -4.261 1.00 0.00 O ATOM 0 H GLU A 20 7.461 8.109 -4.676 1.00 0.00 H new ATOM 0 HA GLU A 20 5.680 9.338 -6.500 1.00 0.00 H new ATOM 0 HB2 GLU A 20 6.990 11.265 -6.194 1.00 0.00 H new ATOM 0 HB3 GLU A 20 7.098 10.416 -4.665 1.00 0.00 H new ATOM 0 HG2 GLU A 20 9.291 9.453 -5.325 1.00 0.00 H new ATOM 0 HG3 GLU A 20 9.177 10.221 -6.896 1.00 0.00 H new ATOM 294 N GLN A 21 8.091 7.737 -7.790 1.00 0.00 N ATOM 295 CA GLN A 21 8.740 7.338 -9.027 1.00 0.00 C ATOM 296 C GLN A 21 7.815 6.435 -9.845 1.00 0.00 C ATOM 297 O GLN A 21 8.167 6.016 -10.947 1.00 0.00 O ATOM 298 CB GLN A 21 10.075 6.646 -8.747 1.00 0.00 C ATOM 299 CG GLN A 21 11.251 7.579 -9.046 1.00 0.00 C ATOM 300 CD GLN A 21 12.337 6.854 -9.844 1.00 0.00 C ATOM 301 OE1 GLN A 21 13.179 6.157 -9.303 1.00 0.00 O ATOM 302 NE2 GLN A 21 12.270 7.057 -11.157 1.00 0.00 N ATOM 0 H GLN A 21 8.247 7.106 -7.004 1.00 0.00 H new ATOM 0 HA GLN A 21 8.949 8.235 -9.611 1.00 0.00 H new ATOM 0 HB2 GLN A 21 10.113 6.330 -7.704 1.00 0.00 H new ATOM 0 HB3 GLN A 21 10.157 5.746 -9.356 1.00 0.00 H new ATOM 0 HG2 GLN A 21 10.899 8.445 -9.607 1.00 0.00 H new ATOM 0 HG3 GLN A 21 11.670 7.953 -8.112 1.00 0.00 H new ATOM 0 HE21 GLN A 21 11.538 7.653 -11.544 1.00 0.00 H new ATOM 0 HE22 GLN A 21 12.950 6.617 -11.777 1.00 0.00 H new ATOM 311 N LEU A 22 6.651 6.162 -9.275 1.00 0.00 N ATOM 312 CA LEU A 22 5.673 5.316 -9.937 1.00 0.00 C ATOM 313 C LEU A 22 5.025 6.095 -11.084 1.00 0.00 C ATOM 314 O LEU A 22 5.085 7.323 -11.116 1.00 0.00 O ATOM 315 CB LEU A 22 4.669 4.763 -8.924 1.00 0.00 C ATOM 316 CG LEU A 22 5.259 3.957 -7.766 1.00 0.00 C ATOM 317 CD1 LEU A 22 4.222 3.743 -6.662 1.00 0.00 C ATOM 318 CD2 LEU A 22 5.849 2.636 -8.262 1.00 0.00 C ATOM 0 H LEU A 22 6.363 6.512 -8.361 1.00 0.00 H new ATOM 0 HA LEU A 22 6.158 4.445 -10.377 1.00 0.00 H new ATOM 0 HB2 LEU A 22 4.105 5.598 -8.509 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.958 4.131 -9.455 1.00 0.00 H new ATOM 0 HG LEU A 22 6.077 4.532 -7.332 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.668 3.167 -5.851 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.891 4.709 -6.282 1.00 0.00 H new ATOM 0 HD13 LEU A 22 3.368 3.200 -7.066 1.00 0.00 H new ATOM 0 HD21 LEU A 22 6.262 2.082 -7.419 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.067 2.044 -8.737 1.00 0.00 H new ATOM 0 HD23 LEU A 22 6.639 2.839 -8.985 1.00 0.00 H new ATOM 330 N LYS A 23 4.420 5.349 -11.996 1.00 0.00 N ATOM 331 CA LYS A 23 3.761 5.954 -13.141 1.00 0.00 C ATOM 332 C LYS A 23 2.907 4.900 -13.849 1.00 0.00 C ATOM 333 O LYS A 23 3.096 3.702 -13.642 1.00 0.00 O ATOM 334 CB LYS A 23 4.787 6.629 -14.054 1.00 0.00 C ATOM 335 CG LYS A 23 4.833 8.138 -13.807 1.00 0.00 C ATOM 336 CD LYS A 23 5.267 8.888 -15.068 1.00 0.00 C ATOM 337 CE LYS A 23 5.121 10.399 -14.884 1.00 0.00 C ATOM 338 NZ LYS A 23 5.079 11.079 -16.198 1.00 0.00 N ATOM 0 H LYS A 23 4.372 4.331 -11.965 1.00 0.00 H new ATOM 0 HA LYS A 23 3.086 6.746 -12.817 1.00 0.00 H new ATOM 0 HB2 LYS A 23 5.773 6.198 -13.880 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.534 6.435 -15.096 1.00 0.00 H new ATOM 0 HG2 LYS A 23 3.850 8.488 -13.492 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.525 8.356 -12.994 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.304 8.645 -15.301 1.00 0.00 H new ATOM 0 HD3 LYS A 23 4.664 8.561 -15.915 1.00 0.00 H new ATOM 0 HE2 LYS A 23 4.211 10.617 -14.326 1.00 0.00 H new ATOM 0 HE3 LYS A 23 5.955 10.782 -14.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 4.980 12.104 -16.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 5.959 10.885 -16.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 4.269 10.726 -16.746 1.00 0.00 H new ATOM 352 N PRO A 24 1.962 5.397 -14.690 1.00 0.00 N ATOM 353 CA PRO A 24 1.078 4.512 -15.430 1.00 0.00 C ATOM 354 C PRO A 24 1.816 3.848 -16.594 1.00 0.00 C ATOM 355 O PRO A 24 2.613 4.491 -17.276 1.00 0.00 O ATOM 356 CB PRO A 24 -0.074 5.394 -15.882 1.00 0.00 C ATOM 357 CG PRO A 24 0.432 6.824 -15.782 1.00 0.00 C ATOM 358 CD PRO A 24 1.710 6.810 -14.960 1.00 0.00 C ATOM 0 HA PRO A 24 0.712 3.681 -14.826 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -0.371 5.155 -16.903 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -0.951 5.245 -15.252 1.00 0.00 H new ATOM 0 HG2 PRO A 24 0.621 7.232 -16.775 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -0.317 7.462 -15.312 1.00 0.00 H new ATOM 0 HD2 PRO A 24 2.537 7.262 -15.507 1.00 0.00 H new ATOM 0 HD3 PRO A 24 1.592 7.375 -14.035 1.00 0.00 H new ATOM 366 N GLY A 25 1.523 2.570 -16.787 1.00 0.00 N ATOM 367 CA GLY A 25 2.148 1.812 -17.857 1.00 0.00 C ATOM 368 C GLY A 25 3.442 1.151 -17.377 1.00 0.00 C ATOM 369 O GLY A 25 4.337 0.878 -18.175 1.00 0.00 O ATOM 0 H GLY A 25 0.861 2.041 -16.220 1.00 0.00 H new ATOM 0 HA2 GLY A 25 1.458 1.049 -18.218 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.363 2.472 -18.698 1.00 0.00 H new ATOM 373 N THR A 26 3.499 0.912 -16.075 1.00 0.00 N ATOM 374 CA THR A 26 4.667 0.287 -15.479 1.00 0.00 C ATOM 375 C THR A 26 4.271 -0.997 -14.748 1.00 0.00 C ATOM 376 O THR A 26 3.136 -1.133 -14.294 1.00 0.00 O ATOM 377 CB THR A 26 5.344 1.318 -14.574 1.00 0.00 C ATOM 378 OG1 THR A 26 4.352 1.628 -13.599 1.00 0.00 O ATOM 379 CG2 THR A 26 5.596 2.648 -15.287 1.00 0.00 C ATOM 0 H THR A 26 2.755 1.140 -15.416 1.00 0.00 H new ATOM 0 HA THR A 26 5.384 -0.019 -16.241 1.00 0.00 H new ATOM 0 HB THR A 26 6.290 0.917 -14.211 1.00 0.00 H new ATOM 0 HG1 THR A 26 4.298 2.600 -13.485 1.00 0.00 H new ATOM 0 HG21 THR A 26 6.078 3.344 -14.600 1.00 0.00 H new ATOM 0 HG22 THR A 26 6.243 2.482 -16.149 1.00 0.00 H new ATOM 0 HG23 THR A 26 4.647 3.067 -15.621 1.00 0.00 H new ATOM 387 N THR A 27 5.230 -1.908 -14.657 1.00 0.00 N ATOM 388 CA THR A 27 4.995 -3.176 -13.988 1.00 0.00 C ATOM 389 C THR A 27 6.263 -3.643 -13.270 1.00 0.00 C ATOM 390 O THR A 27 7.345 -3.107 -13.502 1.00 0.00 O ATOM 391 CB THR A 27 4.486 -4.173 -15.031 1.00 0.00 C ATOM 392 OG1 THR A 27 5.329 -3.957 -16.159 1.00 0.00 O ATOM 393 CG2 THR A 27 3.086 -3.824 -15.540 1.00 0.00 C ATOM 0 H THR A 27 6.170 -1.793 -15.035 1.00 0.00 H new ATOM 0 HA THR A 27 4.236 -3.079 -13.212 1.00 0.00 H new ATOM 0 HB THR A 27 4.477 -5.175 -14.601 1.00 0.00 H new ATOM 0 HG1 THR A 27 5.069 -4.565 -16.883 1.00 0.00 H new ATOM 0 HG21 THR A 27 2.772 -4.563 -16.278 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.385 -3.824 -14.705 1.00 0.00 H new ATOM 0 HG23 THR A 27 3.102 -2.836 -16.000 1.00 0.00 H new ATOM 401 N GLY A 28 6.087 -4.637 -12.412 1.00 0.00 N ATOM 402 CA GLY A 28 7.203 -5.182 -11.658 1.00 0.00 C ATOM 403 C GLY A 28 8.073 -4.064 -11.081 1.00 0.00 C ATOM 404 O GLY A 28 8.957 -3.546 -11.762 1.00 0.00 O ATOM 0 H GLY A 28 5.188 -5.079 -12.222 1.00 0.00 H new ATOM 0 HA2 GLY A 28 6.828 -5.810 -10.850 1.00 0.00 H new ATOM 0 HA3 GLY A 28 7.806 -5.820 -12.304 1.00 0.00 H new ATOM 408 N HIS A 29 7.792 -3.724 -9.831 1.00 0.00 N ATOM 409 CA HIS A 29 8.538 -2.677 -9.155 1.00 0.00 C ATOM 410 C HIS A 29 9.173 -3.239 -7.882 1.00 0.00 C ATOM 411 O HIS A 29 8.719 -4.253 -7.353 1.00 0.00 O ATOM 412 CB HIS A 29 7.647 -1.462 -8.886 1.00 0.00 C ATOM 413 CG HIS A 29 7.176 -0.757 -10.136 1.00 0.00 C ATOM 414 ND1 HIS A 29 7.988 0.089 -10.870 1.00 0.00 N ATOM 415 CD2 HIS A 29 5.970 -0.783 -10.773 1.00 0.00 C ATOM 416 CE1 HIS A 29 7.292 0.548 -11.900 1.00 0.00 C ATOM 417 NE2 HIS A 29 6.041 0.007 -11.838 1.00 0.00 N ATOM 0 H HIS A 29 7.058 -4.155 -9.269 1.00 0.00 H new ATOM 0 HA HIS A 29 9.345 -2.328 -9.799 1.00 0.00 H new ATOM 0 HB2 HIS A 29 6.777 -1.782 -8.312 1.00 0.00 H new ATOM 0 HB3 HIS A 29 8.195 -0.753 -8.266 1.00 0.00 H new ATOM 0 HD2 HIS A 29 5.104 -1.350 -10.464 1.00 0.00 H new ATOM 0 HE1 HIS A 29 7.652 1.230 -12.656 1.00 0.00 H new ATOM 0 HE2 HIS A 29 5.285 0.181 -12.500 1.00 0.00 H new ATOM 425 N THR A 30 10.213 -2.556 -7.426 1.00 0.00 N ATOM 426 CA THR A 30 10.915 -2.975 -6.225 1.00 0.00 C ATOM 427 C THR A 30 11.256 -1.762 -5.357 1.00 0.00 C ATOM 428 O THR A 30 12.142 -0.980 -5.697 1.00 0.00 O ATOM 429 CB THR A 30 12.143 -3.782 -6.652 1.00 0.00 C ATOM 430 OG1 THR A 30 11.655 -4.638 -7.681 1.00 0.00 O ATOM 431 CG2 THR A 30 12.619 -4.744 -5.562 1.00 0.00 C ATOM 0 H THR A 30 10.586 -1.715 -7.867 1.00 0.00 H new ATOM 0 HA THR A 30 10.289 -3.615 -5.603 1.00 0.00 H new ATOM 0 HB THR A 30 12.952 -3.100 -6.913 1.00 0.00 H new ATOM 0 HG1 THR A 30 12.387 -5.196 -8.017 1.00 0.00 H new ATOM 0 HG21 THR A 30 13.492 -5.292 -5.916 1.00 0.00 H new ATOM 0 HG22 THR A 30 12.883 -4.179 -4.668 1.00 0.00 H new ATOM 0 HG23 THR A 30 11.821 -5.448 -5.324 1.00 0.00 H new ATOM 439 N LEU A 31 10.535 -1.644 -4.251 1.00 0.00 N ATOM 440 CA LEU A 31 10.751 -0.540 -3.332 1.00 0.00 C ATOM 441 C LEU A 31 10.285 -0.949 -1.933 1.00 0.00 C ATOM 442 O LEU A 31 9.587 -1.949 -1.775 1.00 0.00 O ATOM 443 CB LEU A 31 10.082 0.732 -3.856 1.00 0.00 C ATOM 444 CG LEU A 31 8.552 0.724 -3.881 1.00 0.00 C ATOM 445 CD1 LEU A 31 8.014 1.792 -4.834 1.00 0.00 C ATOM 446 CD2 LEU A 31 8.017 -0.669 -4.219 1.00 0.00 C ATOM 0 H LEU A 31 9.801 -2.295 -3.971 1.00 0.00 H new ATOM 0 HA LEU A 31 11.813 -0.306 -3.259 1.00 0.00 H new ATOM 0 HB2 LEU A 31 10.411 1.571 -3.243 1.00 0.00 H new ATOM 0 HB3 LEU A 31 10.441 0.917 -4.868 1.00 0.00 H new ATOM 0 HG LEU A 31 8.192 0.973 -2.883 1.00 0.00 H new ATOM 0 HD11 LEU A 31 6.924 1.765 -4.833 1.00 0.00 H new ATOM 0 HD12 LEU A 31 8.353 2.775 -4.507 1.00 0.00 H new ATOM 0 HD13 LEU A 31 8.381 1.598 -5.842 1.00 0.00 H new ATOM 0 HD21 LEU A 31 6.927 -0.647 -4.230 1.00 0.00 H new ATOM 0 HD22 LEU A 31 8.384 -0.972 -5.200 1.00 0.00 H new ATOM 0 HD23 LEU A 31 8.358 -1.382 -3.468 1.00 0.00 H new ATOM 458 N THR A 32 10.689 -0.154 -0.953 1.00 0.00 N ATOM 459 CA THR A 32 10.321 -0.420 0.427 1.00 0.00 C ATOM 460 C THR A 32 9.133 0.451 0.840 1.00 0.00 C ATOM 461 O THR A 32 9.278 1.659 1.021 1.00 0.00 O ATOM 462 CB THR A 32 11.562 -0.208 1.296 1.00 0.00 C ATOM 463 OG1 THR A 32 12.619 -0.797 0.544 1.00 0.00 O ATOM 464 CG2 THR A 32 11.521 -1.029 2.587 1.00 0.00 C ATOM 0 H THR A 32 11.268 0.675 -1.088 1.00 0.00 H new ATOM 0 HA THR A 32 9.988 -1.450 0.556 1.00 0.00 H new ATOM 0 HB THR A 32 11.655 0.850 1.541 1.00 0.00 H new ATOM 0 HG1 THR A 32 13.462 -0.702 1.035 1.00 0.00 H new ATOM 0 HG21 THR A 32 12.425 -0.841 3.166 1.00 0.00 H new ATOM 0 HG22 THR A 32 10.648 -0.742 3.173 1.00 0.00 H new ATOM 0 HG23 THR A 32 11.461 -2.089 2.342 1.00 0.00 H new ATOM 472 N VAL A 33 7.985 -0.196 0.977 1.00 0.00 N ATOM 473 CA VAL A 33 6.773 0.505 1.366 1.00 0.00 C ATOM 474 C VAL A 33 6.498 0.255 2.850 1.00 0.00 C ATOM 475 O VAL A 33 6.539 -0.885 3.309 1.00 0.00 O ATOM 476 CB VAL A 33 5.612 0.081 0.464 1.00 0.00 C ATOM 477 CG1 VAL A 33 5.933 0.353 -1.007 1.00 0.00 C ATOM 478 CG2 VAL A 33 5.255 -1.390 0.684 1.00 0.00 C ATOM 0 H VAL A 33 7.868 -1.198 0.826 1.00 0.00 H new ATOM 0 HA VAL A 33 6.895 1.580 1.235 1.00 0.00 H new ATOM 0 HB VAL A 33 4.743 0.680 0.734 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.092 0.043 -1.626 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.114 1.418 -1.149 1.00 0.00 H new ATOM 0 HG13 VAL A 33 6.822 -0.208 -1.295 1.00 0.00 H new ATOM 0 HG21 VAL A 33 4.427 -1.665 0.031 1.00 0.00 H new ATOM 0 HG22 VAL A 33 6.120 -2.012 0.455 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.963 -1.542 1.723 1.00 0.00 H new ATOM 488 N LYS A 34 6.226 1.341 3.559 1.00 0.00 N ATOM 489 CA LYS A 34 5.944 1.254 4.982 1.00 0.00 C ATOM 490 C LYS A 34 4.451 1.491 5.218 1.00 0.00 C ATOM 491 O LYS A 34 3.918 2.535 4.846 1.00 0.00 O ATOM 492 CB LYS A 34 6.849 2.207 5.766 1.00 0.00 C ATOM 493 CG LYS A 34 6.515 2.177 7.258 1.00 0.00 C ATOM 494 CD LYS A 34 6.186 3.579 7.775 1.00 0.00 C ATOM 495 CE LYS A 34 6.121 3.599 9.303 1.00 0.00 C ATOM 496 NZ LYS A 34 5.025 4.480 9.765 1.00 0.00 N ATOM 0 H LYS A 34 6.195 2.285 3.175 1.00 0.00 H new ATOM 0 HA LYS A 34 6.171 0.255 5.355 1.00 0.00 H new ATOM 0 HB2 LYS A 34 7.892 1.928 5.618 1.00 0.00 H new ATOM 0 HB3 LYS A 34 6.733 3.221 5.384 1.00 0.00 H new ATOM 0 HG2 LYS A 34 5.668 1.514 7.431 1.00 0.00 H new ATOM 0 HG3 LYS A 34 7.358 1.769 7.815 1.00 0.00 H new ATOM 0 HD2 LYS A 34 6.942 4.284 7.430 1.00 0.00 H new ATOM 0 HD3 LYS A 34 5.232 3.908 7.363 1.00 0.00 H new ATOM 0 HE2 LYS A 34 5.966 2.588 9.679 1.00 0.00 H new ATOM 0 HE3 LYS A 34 7.071 3.948 9.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 4.996 4.482 10.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 5.190 5.448 9.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 4.119 4.130 9.394 1.00 0.00 H new ATOM 510 N VAL A 35 3.818 0.503 5.834 1.00 0.00 N ATOM 511 CA VAL A 35 2.397 0.591 6.124 1.00 0.00 C ATOM 512 C VAL A 35 2.162 1.672 7.180 1.00 0.00 C ATOM 513 O VAL A 35 2.974 1.845 8.088 1.00 0.00 O ATOM 514 CB VAL A 35 1.863 -0.781 6.543 1.00 0.00 C ATOM 515 CG1 VAL A 35 0.346 -0.857 6.362 1.00 0.00 C ATOM 516 CG2 VAL A 35 2.564 -1.901 5.772 1.00 0.00 C ATOM 0 H VAL A 35 4.263 -0.362 6.140 1.00 0.00 H new ATOM 0 HA VAL A 35 1.842 0.883 5.232 1.00 0.00 H new ATOM 0 HB VAL A 35 2.081 -0.916 7.602 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -0.008 -1.842 6.667 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.132 -0.094 6.976 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.096 -0.690 5.314 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.166 -2.865 6.089 1.00 0.00 H new ATOM 0 HG22 VAL A 35 2.392 -1.770 4.704 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.635 -1.867 5.974 1.00 0.00 H new ATOM 526 N ILE A 36 1.048 2.372 7.026 1.00 0.00 N ATOM 527 CA ILE A 36 0.696 3.432 7.956 1.00 0.00 C ATOM 528 C ILE A 36 -0.633 3.090 8.633 1.00 0.00 C ATOM 529 O ILE A 36 -0.741 3.143 9.858 1.00 0.00 O ATOM 530 CB ILE A 36 0.693 4.788 7.246 1.00 0.00 C ATOM 531 CG1 ILE A 36 1.716 4.814 6.109 1.00 0.00 C ATOM 532 CG2 ILE A 36 0.914 5.928 8.242 1.00 0.00 C ATOM 533 CD1 ILE A 36 3.145 4.826 6.656 1.00 0.00 C ATOM 0 H ILE A 36 0.377 2.226 6.271 1.00 0.00 H new ATOM 0 HA ILE A 36 1.445 3.512 8.744 1.00 0.00 H new ATOM 0 HB ILE A 36 -0.289 4.937 6.798 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.575 3.943 5.469 1.00 0.00 H new ATOM 0 HG13 ILE A 36 1.553 5.695 5.489 1.00 0.00 H new ATOM 0 HG21 ILE A 36 0.908 6.880 7.712 1.00 0.00 H new ATOM 0 HG22 ILE A 36 0.117 5.921 8.986 1.00 0.00 H new ATOM 0 HG23 ILE A 36 1.875 5.796 8.739 1.00 0.00 H new ATOM 0 HD11 ILE A 36 3.852 4.844 5.827 1.00 0.00 H new ATOM 0 HD12 ILE A 36 3.290 5.711 7.276 1.00 0.00 H new ATOM 0 HD13 ILE A 36 3.313 3.931 7.256 1.00 0.00 H new ATOM 545 N GLU A 37 -1.610 2.746 7.808 1.00 0.00 N ATOM 546 CA GLU A 37 -2.927 2.395 8.312 1.00 0.00 C ATOM 547 C GLU A 37 -3.493 1.205 7.535 1.00 0.00 C ATOM 548 O GLU A 37 -3.063 0.928 6.417 1.00 0.00 O ATOM 549 CB GLU A 37 -3.876 3.593 8.247 1.00 0.00 C ATOM 550 CG GLU A 37 -3.189 4.865 8.747 1.00 0.00 C ATOM 551 CD GLU A 37 -4.206 5.839 9.345 1.00 0.00 C ATOM 552 OE1 GLU A 37 -4.735 6.658 8.563 1.00 0.00 O ATOM 553 OE2 GLU A 37 -4.431 5.743 10.571 1.00 0.00 O ATOM 0 H GLU A 37 -1.516 2.703 6.793 1.00 0.00 H new ATOM 0 HA GLU A 37 -2.829 2.107 9.359 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -4.215 3.738 7.221 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -4.762 3.393 8.850 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -2.442 4.608 9.498 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -2.661 5.345 7.923 1.00 0.00 H new ATOM 560 N ALA A 38 -4.449 0.533 8.159 1.00 0.00 N ATOM 561 CA ALA A 38 -5.078 -0.622 7.540 1.00 0.00 C ATOM 562 C ALA A 38 -6.521 -0.737 8.036 1.00 0.00 C ATOM 563 O ALA A 38 -6.757 -0.995 9.215 1.00 0.00 O ATOM 564 CB ALA A 38 -4.255 -1.876 7.843 1.00 0.00 C ATOM 0 H ALA A 38 -4.804 0.766 9.087 1.00 0.00 H new ATOM 0 HA ALA A 38 -5.109 -0.508 6.456 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -4.727 -2.742 7.379 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.248 -1.755 7.445 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -4.204 -2.026 8.921 1.00 0.00 H new ATOM 570 N ASN A 39 -7.449 -0.542 7.110 1.00 0.00 N ATOM 571 CA ASN A 39 -8.862 -0.621 7.438 1.00 0.00 C ATOM 572 C ASN A 39 -9.596 -1.379 6.330 1.00 0.00 C ATOM 573 O ASN A 39 -9.203 -1.320 5.167 1.00 0.00 O ATOM 574 CB ASN A 39 -9.481 0.774 7.547 1.00 0.00 C ATOM 575 CG ASN A 39 -8.668 1.662 8.491 1.00 0.00 C ATOM 576 OD1 ASN A 39 -7.537 2.121 7.962 1.00 0.00 O flip ATOM 577 ND2 ASN A 39 -9.042 1.915 9.624 1.00 0.00 N flip ATOM 0 H ASN A 39 -7.249 -0.329 6.133 1.00 0.00 H new ATOM 0 HA ASN A 39 -8.958 -1.134 8.395 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -9.527 1.233 6.560 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -10.506 0.694 7.910 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -9.921 1.530 9.969 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -8.475 2.512 10.227 1.00 0.00 H new ATOM 584 N ILE A 40 -10.651 -2.074 6.732 1.00 0.00 N ATOM 585 CA ILE A 40 -11.444 -2.842 5.788 1.00 0.00 C ATOM 586 C ILE A 40 -11.889 -1.931 4.642 1.00 0.00 C ATOM 587 O ILE A 40 -11.941 -0.712 4.797 1.00 0.00 O ATOM 588 CB ILE A 40 -12.602 -3.540 6.504 1.00 0.00 C ATOM 589 CG1 ILE A 40 -13.573 -2.519 7.099 1.00 0.00 C ATOM 590 CG2 ILE A 40 -12.084 -4.521 7.558 1.00 0.00 C ATOM 591 CD1 ILE A 40 -14.835 -3.205 7.626 1.00 0.00 C ATOM 0 H ILE A 40 -10.974 -2.121 7.698 1.00 0.00 H new ATOM 0 HA ILE A 40 -10.845 -3.639 5.348 1.00 0.00 H new ATOM 0 HB ILE A 40 -13.157 -4.122 5.769 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -13.085 -1.976 7.908 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -13.844 -1.784 6.341 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -12.928 -5.003 8.052 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -11.464 -5.278 7.077 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -11.491 -3.982 8.297 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -15.509 -2.457 8.044 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -15.334 -3.727 6.809 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -14.563 -3.921 8.401 1.00 0.00 H new ATOM 954 N ILE A 63 -10.552 -8.704 2.396 1.00 0.00 N ATOM 955 CA ILE A 63 -9.722 -7.713 1.732 1.00 0.00 C ATOM 956 C ILE A 63 -9.708 -6.427 2.562 1.00 0.00 C ATOM 957 O ILE A 63 -10.755 -5.963 3.011 1.00 0.00 O ATOM 958 CB ILE A 63 -10.184 -7.507 0.288 1.00 0.00 C ATOM 959 CG1 ILE A 63 -9.621 -8.595 -0.628 1.00 0.00 C ATOM 960 CG2 ILE A 63 -9.831 -6.103 -0.206 1.00 0.00 C ATOM 961 CD1 ILE A 63 -8.166 -8.302 -0.998 1.00 0.00 C ATOM 0 HA ILE A 63 -8.692 -8.062 1.666 1.00 0.00 H new ATOM 0 HB ILE A 63 -11.270 -7.594 0.261 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -9.686 -9.563 -0.131 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -10.224 -8.661 -1.534 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -10.170 -5.983 -1.235 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -10.320 -5.361 0.426 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -8.751 -5.963 -0.162 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -7.790 -9.091 -1.650 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -8.108 -7.345 -1.516 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -7.561 -8.261 -0.092 1.00 0.00 H new ATOM 973 N VAL A 64 -8.511 -5.889 2.741 1.00 0.00 N ATOM 974 CA VAL A 64 -8.346 -4.667 3.509 1.00 0.00 C ATOM 975 C VAL A 64 -7.314 -3.772 2.821 1.00 0.00 C ATOM 976 O VAL A 64 -6.290 -4.256 2.340 1.00 0.00 O ATOM 977 CB VAL A 64 -7.977 -5.003 4.955 1.00 0.00 C ATOM 978 CG1 VAL A 64 -7.682 -3.733 5.755 1.00 0.00 C ATOM 979 CG2 VAL A 64 -9.078 -5.829 5.624 1.00 0.00 C ATOM 0 H VAL A 64 -7.645 -6.277 2.367 1.00 0.00 H new ATOM 0 HA VAL A 64 -9.283 -4.111 3.548 1.00 0.00 H new ATOM 0 HB VAL A 64 -7.069 -5.606 4.937 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -7.422 -4.000 6.779 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -6.849 -3.200 5.297 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -8.564 -3.093 5.760 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -8.791 -6.054 6.651 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -10.009 -5.262 5.624 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -9.220 -6.760 5.074 1.00 0.00 H new ATOM 989 N GLU A 65 -7.617 -2.483 2.796 1.00 0.00 N ATOM 990 CA GLU A 65 -6.728 -1.516 2.175 1.00 0.00 C ATOM 991 C GLU A 65 -5.814 -0.883 3.227 1.00 0.00 C ATOM 992 O GLU A 65 -6.291 -0.308 4.203 1.00 0.00 O ATOM 993 CB GLU A 65 -7.521 -0.446 1.423 1.00 0.00 C ATOM 994 CG GLU A 65 -8.098 -1.005 0.121 1.00 0.00 C ATOM 995 CD GLU A 65 -9.267 -0.150 -0.373 1.00 0.00 C ATOM 996 OE1 GLU A 65 -9.949 0.435 0.496 1.00 0.00 O ATOM 997 OE2 GLU A 65 -9.452 -0.100 -1.608 1.00 0.00 O ATOM 0 H GLU A 65 -8.467 -2.085 3.196 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.106 -2.038 1.448 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -8.329 -0.077 2.054 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -6.874 0.404 1.203 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -7.319 -1.038 -0.641 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -8.434 -2.030 0.278 1.00 0.00 H new ATOM 1004 N CYS A 66 -4.517 -1.012 2.991 1.00 0.00 N ATOM 1005 CA CYS A 66 -3.532 -0.460 3.906 1.00 0.00 C ATOM 1006 C CYS A 66 -2.737 0.617 3.164 1.00 0.00 C ATOM 1007 O CYS A 66 -2.460 0.479 1.973 1.00 0.00 O ATOM 1008 CB CYS A 66 -2.622 -1.547 4.481 1.00 0.00 C ATOM 1009 SG CYS A 66 -3.584 -3.073 4.785 1.00 0.00 S ATOM 0 H CYS A 66 -4.125 -1.490 2.180 1.00 0.00 H new ATOM 0 HA CYS A 66 -4.038 -0.012 4.761 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -1.806 -1.754 3.788 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -2.171 -1.201 5.411 1.00 0.00 H new ATOM 0 HG CYS A 66 -2.864 -3.910 5.472 1.00 0.00 H new ATOM 1015 N LEU A 67 -2.392 1.664 3.898 1.00 0.00 N ATOM 1016 CA LEU A 67 -1.635 2.764 3.324 1.00 0.00 C ATOM 1017 C LEU A 67 -0.140 2.463 3.443 1.00 0.00 C ATOM 1018 O LEU A 67 0.386 2.334 4.547 1.00 0.00 O ATOM 1019 CB LEU A 67 -2.048 4.091 3.964 1.00 0.00 C ATOM 1020 CG LEU A 67 -1.553 5.357 3.262 1.00 0.00 C ATOM 1021 CD1 LEU A 67 -2.062 5.421 1.821 1.00 0.00 C ATOM 1022 CD2 LEU A 67 -1.928 6.608 4.059 1.00 0.00 C ATOM 0 H LEU A 67 -2.623 1.774 4.885 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.857 2.867 2.262 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.136 4.127 4.009 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.686 4.104 4.992 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.465 5.318 3.216 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.695 6.331 1.346 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.702 4.553 1.269 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.152 5.425 1.820 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.564 7.494 3.538 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.012 6.665 4.158 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.475 6.558 5.049 1.00 0.00 H new ATOM 1034 N ILE A 68 0.504 2.362 2.289 1.00 0.00 N ATOM 1035 CA ILE A 68 1.929 2.079 2.249 1.00 0.00 C ATOM 1036 C ILE A 68 2.611 3.054 1.287 1.00 0.00 C ATOM 1037 O ILE A 68 1.984 3.552 0.354 1.00 0.00 O ATOM 1038 CB ILE A 68 2.174 0.608 1.910 1.00 0.00 C ATOM 1039 CG1 ILE A 68 2.102 0.373 0.400 1.00 0.00 C ATOM 1040 CG2 ILE A 68 1.210 -0.300 2.678 1.00 0.00 C ATOM 1041 CD1 ILE A 68 0.759 0.842 -0.164 1.00 0.00 C ATOM 0 H ILE A 68 0.065 2.471 1.375 1.00 0.00 H new ATOM 0 HA ILE A 68 2.376 2.234 3.231 1.00 0.00 H new ATOM 0 HB ILE A 68 3.184 0.348 2.228 1.00 0.00 H new ATOM 0 HG12 ILE A 68 2.914 0.906 -0.094 1.00 0.00 H new ATOM 0 HG13 ILE A 68 2.240 -0.687 0.186 1.00 0.00 H new ATOM 0 HG21 ILE A 68 1.406 -1.340 2.419 1.00 0.00 H new ATOM 0 HG22 ILE A 68 1.354 -0.160 3.749 1.00 0.00 H new ATOM 0 HG23 ILE A 68 0.183 -0.047 2.414 1.00 0.00 H new ATOM 0 HD11 ILE A 68 0.734 0.664 -1.239 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -0.050 0.289 0.315 1.00 0.00 H new ATOM 0 HD13 ILE A 68 0.635 1.907 0.030 1.00 0.00 H new ATOM 1053 N GLY A 69 3.888 3.296 1.548 1.00 0.00 N ATOM 1054 CA GLY A 69 4.662 4.202 0.717 1.00 0.00 C ATOM 1055 C GLY A 69 6.041 4.463 1.326 1.00 0.00 C ATOM 1056 O GLY A 69 6.474 3.739 2.221 1.00 0.00 O ATOM 0 H GLY A 69 4.405 2.880 2.323 1.00 0.00 H new ATOM 0 HA2 GLY A 69 4.776 3.778 -0.281 1.00 0.00 H new ATOM 0 HA3 GLY A 69 4.126 5.145 0.604 1.00 0.00 H new ATOM 1060 N ASP A 70 6.691 5.498 0.817 1.00 0.00 N ATOM 1061 CA ASP A 70 8.012 5.863 1.301 1.00 0.00 C ATOM 1062 C ASP A 70 8.050 7.366 1.585 1.00 0.00 C ATOM 1063 O ASP A 70 7.051 8.061 1.404 1.00 0.00 O ATOM 1064 CB ASP A 70 9.086 5.553 0.256 1.00 0.00 C ATOM 1065 CG ASP A 70 10.485 5.299 0.822 1.00 0.00 C ATOM 1066 OD1 ASP A 70 10.673 5.594 2.022 1.00 0.00 O ATOM 1067 OD2 ASP A 70 11.334 4.817 0.042 1.00 0.00 O ATOM 0 H ASP A 70 6.328 6.096 0.074 1.00 0.00 H new ATOM 0 HA ASP A 70 8.210 5.287 2.205 1.00 0.00 H new ATOM 0 HB2 ASP A 70 8.776 4.676 -0.313 1.00 0.00 H new ATOM 0 HB3 ASP A 70 9.140 6.385 -0.446 1.00 0.00 H new ATOM 1072 N GLU A 71 9.212 7.824 2.025 1.00 0.00 N ATOM 1073 CA GLU A 71 9.393 9.232 2.336 1.00 0.00 C ATOM 1074 C GLU A 71 8.891 10.099 1.180 1.00 0.00 C ATOM 1075 O GLU A 71 8.557 11.267 1.375 1.00 0.00 O ATOM 1076 CB GLU A 71 10.857 9.539 2.656 1.00 0.00 C ATOM 1077 CG GLU A 71 11.747 9.300 1.435 1.00 0.00 C ATOM 1078 CD GLU A 71 13.152 9.864 1.661 1.00 0.00 C ATOM 1079 OE1 GLU A 71 13.311 11.087 1.458 1.00 0.00 O ATOM 1080 OE2 GLU A 71 14.033 9.059 2.031 1.00 0.00 O ATOM 0 H GLU A 71 10.038 7.245 2.174 1.00 0.00 H new ATOM 0 HA GLU A 71 8.805 9.467 3.223 1.00 0.00 H new ATOM 0 HB2 GLU A 71 10.952 10.575 2.983 1.00 0.00 H new ATOM 0 HB3 GLU A 71 11.191 8.912 3.483 1.00 0.00 H new ATOM 0 HG2 GLU A 71 11.809 8.231 1.229 1.00 0.00 H new ATOM 0 HG3 GLU A 71 11.300 9.768 0.558 1.00 0.00 H new ATOM 1087 N THR A 72 8.852 9.495 0.002 1.00 0.00 N ATOM 1088 CA THR A 72 8.396 10.197 -1.185 1.00 0.00 C ATOM 1089 C THR A 72 6.878 10.382 -1.145 1.00 0.00 C ATOM 1090 O THR A 72 6.389 11.463 -0.820 1.00 0.00 O ATOM 1091 CB THR A 72 8.881 9.420 -2.410 1.00 0.00 C ATOM 1092 OG1 THR A 72 8.543 8.067 -2.119 1.00 0.00 O ATOM 1093 CG2 THR A 72 10.407 9.406 -2.529 1.00 0.00 C ATOM 0 H THR A 72 9.129 8.526 -0.156 1.00 0.00 H new ATOM 0 HA THR A 72 8.813 11.203 -1.234 1.00 0.00 H new ATOM 0 HB THR A 72 8.451 9.858 -3.311 1.00 0.00 H new ATOM 0 HG1 THR A 72 9.316 7.491 -2.298 1.00 0.00 H new ATOM 0 HG21 THR A 72 10.698 8.842 -3.415 1.00 0.00 H new ATOM 0 HG22 THR A 72 10.775 10.429 -2.613 1.00 0.00 H new ATOM 0 HG23 THR A 72 10.837 8.938 -1.643 1.00 0.00 H new ATOM 1101 N GLY A 73 6.174 9.311 -1.481 1.00 0.00 N ATOM 1102 CA GLY A 73 4.722 9.342 -1.487 1.00 0.00 C ATOM 1103 C GLY A 73 4.143 7.999 -1.036 1.00 0.00 C ATOM 1104 O GLY A 73 4.880 7.117 -0.599 1.00 0.00 O ATOM 0 H GLY A 73 6.583 8.416 -1.751 1.00 0.00 H new ATOM 0 HA2 GLY A 73 4.369 10.134 -0.827 1.00 0.00 H new ATOM 0 HA3 GLY A 73 4.364 9.578 -2.489 1.00 0.00 H new ATOM 1108 N CYS A 74 2.828 7.886 -1.159 1.00 0.00 N ATOM 1109 CA CYS A 74 2.142 6.666 -0.770 1.00 0.00 C ATOM 1110 C CYS A 74 1.054 6.376 -1.805 1.00 0.00 C ATOM 1111 O CYS A 74 0.705 7.243 -2.605 1.00 0.00 O ATOM 1112 CB CYS A 74 1.572 6.765 0.646 1.00 0.00 C ATOM 1113 SG CYS A 74 0.498 8.240 0.787 1.00 0.00 S ATOM 0 H CYS A 74 2.220 8.620 -1.523 1.00 0.00 H new ATOM 0 HA CYS A 74 2.851 5.838 -0.748 1.00 0.00 H new ATOM 0 HB2 CYS A 74 1.002 5.866 0.881 1.00 0.00 H new ATOM 0 HB3 CYS A 74 2.384 6.826 1.370 1.00 0.00 H new ATOM 0 HG CYS A 74 0.017 8.313 1.993 1.00 0.00 H new ATOM 1119 N ILE A 75 0.546 5.153 -1.757 1.00 0.00 N ATOM 1120 CA ILE A 75 -0.496 4.738 -2.680 1.00 0.00 C ATOM 1121 C ILE A 75 -1.358 3.661 -2.019 1.00 0.00 C ATOM 1122 O ILE A 75 -0.959 3.070 -1.017 1.00 0.00 O ATOM 1123 CB ILE A 75 0.113 4.304 -4.015 1.00 0.00 C ATOM 1124 CG1 ILE A 75 -0.075 2.802 -4.241 1.00 0.00 C ATOM 1125 CG2 ILE A 75 1.583 4.718 -4.108 1.00 0.00 C ATOM 1126 CD1 ILE A 75 0.629 1.992 -3.151 1.00 0.00 C ATOM 0 H ILE A 75 0.837 4.436 -1.093 1.00 0.00 H new ATOM 0 HA ILE A 75 -1.154 5.575 -2.913 1.00 0.00 H new ATOM 0 HB ILE A 75 -0.418 4.819 -4.816 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -1.138 2.562 -4.248 1.00 0.00 H new ATOM 0 HG13 ILE A 75 0.321 2.525 -5.218 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.991 4.397 -5.066 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.662 5.802 -4.024 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.145 4.250 -3.300 1.00 0.00 H new ATOM 0 HD11 ILE A 75 0.480 0.928 -3.335 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.696 2.216 -3.163 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.214 2.254 -2.178 1.00 0.00 H new ATOM 1138 N LEU A 76 -2.525 3.439 -2.606 1.00 0.00 N ATOM 1139 CA LEU A 76 -3.447 2.444 -2.086 1.00 0.00 C ATOM 1140 C LEU A 76 -3.102 1.076 -2.678 1.00 0.00 C ATOM 1141 O LEU A 76 -3.179 0.883 -3.890 1.00 0.00 O ATOM 1142 CB LEU A 76 -4.895 2.873 -2.334 1.00 0.00 C ATOM 1143 CG LEU A 76 -5.847 2.741 -1.144 1.00 0.00 C ATOM 1144 CD1 LEU A 76 -6.798 3.937 -1.067 1.00 0.00 C ATOM 1145 CD2 LEU A 76 -6.601 1.411 -1.190 1.00 0.00 C ATOM 0 H LEU A 76 -2.853 3.931 -3.437 1.00 0.00 H new ATOM 0 HA LEU A 76 -3.344 2.359 -1.004 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -4.894 3.913 -2.659 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -5.292 2.281 -3.159 1.00 0.00 H new ATOM 0 HG LEU A 76 -5.253 2.743 -0.230 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -7.464 3.818 -0.212 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -6.220 4.854 -0.952 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -7.388 3.992 -1.982 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -7.271 1.343 -0.333 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -7.182 1.354 -2.110 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -5.888 0.587 -1.160 1.00 0.00 H new ATOM 1157 N PHE A 77 -2.727 0.162 -1.795 1.00 0.00 N ATOM 1158 CA PHE A 77 -2.370 -1.182 -2.215 1.00 0.00 C ATOM 1159 C PHE A 77 -3.234 -2.226 -1.506 1.00 0.00 C ATOM 1160 O PHE A 77 -3.336 -2.224 -0.280 1.00 0.00 O ATOM 1161 CB PHE A 77 -0.906 -1.398 -1.823 1.00 0.00 C ATOM 1162 CG PHE A 77 -0.448 -2.855 -1.911 1.00 0.00 C ATOM 1163 CD1 PHE A 77 -0.825 -3.746 -0.955 1.00 0.00 C ATOM 1164 CD2 PHE A 77 0.338 -3.260 -2.945 1.00 0.00 C ATOM 1165 CE1 PHE A 77 -0.399 -5.098 -1.036 1.00 0.00 C ATOM 1166 CE2 PHE A 77 0.764 -4.612 -3.026 1.00 0.00 C ATOM 1167 CZ PHE A 77 0.386 -5.503 -2.070 1.00 0.00 C ATOM 0 H PHE A 77 -2.663 0.326 -0.790 1.00 0.00 H new ATOM 0 HA PHE A 77 -2.525 -1.290 -3.289 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -0.274 -0.789 -2.469 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -0.757 -1.042 -0.804 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -1.449 -3.425 -0.134 1.00 0.00 H new ATOM 0 HD2 PHE A 77 0.638 -2.553 -3.704 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -0.698 -5.805 -0.276 1.00 0.00 H new ATOM 0 HE2 PHE A 77 1.388 -4.933 -3.847 1.00 0.00 H new ATOM 0 HZ PHE A 77 0.709 -6.532 -2.132 1.00 0.00 H new ATOM 1177 N THR A 78 -3.835 -3.094 -2.307 1.00 0.00 N ATOM 1178 CA THR A 78 -4.688 -4.141 -1.772 1.00 0.00 C ATOM 1179 C THR A 78 -3.840 -5.294 -1.231 1.00 0.00 C ATOM 1180 O THR A 78 -2.802 -5.627 -1.801 1.00 0.00 O ATOM 1181 CB THR A 78 -5.661 -4.567 -2.873 1.00 0.00 C ATOM 1182 OG1 THR A 78 -6.406 -3.386 -3.154 1.00 0.00 O ATOM 1183 CG2 THR A 78 -6.712 -5.561 -2.373 1.00 0.00 C ATOM 0 H THR A 78 -3.748 -3.093 -3.323 1.00 0.00 H new ATOM 0 HA THR A 78 -5.271 -3.782 -0.924 1.00 0.00 H new ATOM 0 HB THR A 78 -5.104 -5.012 -3.697 1.00 0.00 H new ATOM 0 HG1 THR A 78 -7.060 -3.572 -3.859 1.00 0.00 H new ATOM 0 HG21 THR A 78 -7.377 -5.831 -3.193 1.00 0.00 H new ATOM 0 HG22 THR A 78 -6.217 -6.457 -1.998 1.00 0.00 H new ATOM 0 HG23 THR A 78 -7.292 -5.105 -1.571 1.00 0.00 H new ATOM 1191 N ALA A 79 -4.314 -5.872 -0.137 1.00 0.00 N ATOM 1192 CA ALA A 79 -3.613 -6.981 0.488 1.00 0.00 C ATOM 1193 C ALA A 79 -4.603 -8.114 0.765 1.00 0.00 C ATOM 1194 O ALA A 79 -5.666 -7.886 1.340 1.00 0.00 O ATOM 1195 CB ALA A 79 -2.914 -6.493 1.758 1.00 0.00 C ATOM 0 H ALA A 79 -5.175 -5.593 0.333 1.00 0.00 H new ATOM 0 HA ALA A 79 -2.843 -7.372 -0.177 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -2.388 -7.325 2.227 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -2.200 -5.710 1.502 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -3.655 -6.095 2.451 1.00 0.00 H new ATOM 1201 N ARG A 80 -4.218 -9.309 0.344 1.00 0.00 N ATOM 1202 CA ARG A 80 -5.059 -10.478 0.540 1.00 0.00 C ATOM 1203 C ARG A 80 -5.059 -10.891 2.013 1.00 0.00 C ATOM 1204 O ARG A 80 -4.220 -10.436 2.789 1.00 0.00 O ATOM 1205 CB ARG A 80 -4.575 -11.654 -0.312 1.00 0.00 C ATOM 1206 CG ARG A 80 -4.663 -11.323 -1.803 1.00 0.00 C ATOM 1207 CD ARG A 80 -5.697 -12.208 -2.502 1.00 0.00 C ATOM 1208 NE ARG A 80 -6.305 -11.478 -3.637 1.00 0.00 N ATOM 1209 CZ ARG A 80 -5.641 -11.133 -4.749 1.00 0.00 C ATOM 1210 NH1 ARG A 80 -4.346 -11.448 -4.881 1.00 0.00 N ATOM 1211 NH2 ARG A 80 -6.274 -10.471 -5.728 1.00 0.00 N ATOM 0 H ARG A 80 -3.335 -9.494 -0.132 1.00 0.00 H new ATOM 0 HA ARG A 80 -6.071 -10.214 0.233 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -3.545 -11.898 -0.050 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -5.177 -12.537 -0.096 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -4.931 -10.274 -1.931 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -3.687 -11.462 -2.268 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -5.223 -13.122 -2.859 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -6.471 -12.506 -1.794 1.00 0.00 H new ATOM 0 HE ARG A 80 -7.290 -11.222 -3.569 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -3.865 -11.951 -4.135 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -3.841 -11.185 -5.727 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -7.260 -10.230 -5.626 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -5.770 -10.208 -6.575 1.00 0.00 H new ATOM 1225 N ASN A 81 -6.009 -11.749 2.354 1.00 0.00 N ATOM 1226 CA ASN A 81 -6.130 -12.228 3.721 1.00 0.00 C ATOM 1227 C ASN A 81 -4.750 -12.644 4.234 1.00 0.00 C ATOM 1228 O ASN A 81 -4.514 -12.669 5.441 1.00 0.00 O ATOM 1229 CB ASN A 81 -7.050 -13.448 3.797 1.00 0.00 C ATOM 1230 CG ASN A 81 -6.441 -14.642 3.059 1.00 0.00 C ATOM 1231 OD1 ASN A 81 -5.573 -14.504 2.213 1.00 0.00 O ATOM 1232 ND2 ASN A 81 -6.942 -15.817 3.426 1.00 0.00 N ATOM 0 H ASN A 81 -6.702 -12.125 1.707 1.00 0.00 H new ATOM 0 HA ASN A 81 -6.548 -11.423 4.325 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -7.225 -13.712 4.840 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -8.020 -13.204 3.363 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -6.601 -16.675 2.992 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -7.668 -15.861 4.141 1.00 0.00 H new ATOM 1239 N ASP A 82 -3.874 -12.960 3.292 1.00 0.00 N ATOM 1240 CA ASP A 82 -2.523 -13.374 3.634 1.00 0.00 C ATOM 1241 C ASP A 82 -1.627 -12.138 3.738 1.00 0.00 C ATOM 1242 O ASP A 82 -1.082 -11.850 4.802 1.00 0.00 O ATOM 1243 CB ASP A 82 -1.940 -14.292 2.558 1.00 0.00 C ATOM 1244 CG ASP A 82 -1.673 -15.729 3.010 1.00 0.00 C ATOM 1245 OD1 ASP A 82 -2.435 -16.201 3.880 1.00 0.00 O ATOM 1246 OD2 ASP A 82 -0.712 -16.323 2.474 1.00 0.00 O ATOM 0 H ASP A 82 -4.073 -12.938 2.292 1.00 0.00 H new ATOM 0 HA ASP A 82 -2.564 -13.910 4.582 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -2.625 -14.315 1.711 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -1.005 -13.860 2.200 1.00 0.00 H new ATOM 1251 N GLN A 83 -1.503 -11.440 2.618 1.00 0.00 N ATOM 1252 CA GLN A 83 -0.683 -10.242 2.570 1.00 0.00 C ATOM 1253 C GLN A 83 -1.110 -9.262 3.665 1.00 0.00 C ATOM 1254 O GLN A 83 -0.268 -8.620 4.292 1.00 0.00 O ATOM 1255 CB GLN A 83 -0.750 -9.586 1.190 1.00 0.00 C ATOM 1256 CG GLN A 83 -0.267 -10.547 0.102 1.00 0.00 C ATOM 1257 CD GLN A 83 -0.849 -10.169 -1.262 1.00 0.00 C ATOM 1258 OE1 GLN A 83 -1.598 -10.912 -1.874 1.00 0.00 O ATOM 1259 NE2 GLN A 83 -0.464 -8.974 -1.702 1.00 0.00 N ATOM 0 H GLN A 83 -1.957 -11.682 1.737 1.00 0.00 H new ATOM 0 HA GLN A 83 0.353 -10.528 2.750 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -1.774 -9.278 0.979 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -0.138 -8.684 1.182 1.00 0.00 H new ATOM 0 HG2 GLN A 83 0.822 -10.530 0.054 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -0.559 -11.566 0.356 1.00 0.00 H new ATOM 0 HE21 GLN A 83 0.165 -8.402 -1.139 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -0.798 -8.630 -2.602 1.00 0.00 H new ATOM 1268 N VAL A 84 -2.417 -9.177 3.861 1.00 0.00 N ATOM 1269 CA VAL A 84 -2.966 -8.286 4.869 1.00 0.00 C ATOM 1270 C VAL A 84 -2.065 -8.304 6.105 1.00 0.00 C ATOM 1271 O VAL A 84 -1.786 -7.258 6.689 1.00 0.00 O ATOM 1272 CB VAL A 84 -4.414 -8.674 5.178 1.00 0.00 C ATOM 1273 CG1 VAL A 84 -4.468 -9.869 6.133 1.00 0.00 C ATOM 1274 CG2 VAL A 84 -5.192 -7.485 5.744 1.00 0.00 C ATOM 0 H VAL A 84 -3.112 -9.710 3.339 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.990 -7.261 4.500 1.00 0.00 H new ATOM 0 HB VAL A 84 -4.889 -8.969 4.242 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -5.508 -10.125 6.337 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -3.967 -10.723 5.676 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.968 -9.611 7.067 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -6.218 -7.788 5.955 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -4.718 -7.145 6.665 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -5.196 -6.673 5.017 1.00 0.00 H new ATOM 1284 N ASP A 85 -1.635 -9.503 6.467 1.00 0.00 N ATOM 1285 CA ASP A 85 -0.771 -9.671 7.623 1.00 0.00 C ATOM 1286 C ASP A 85 0.534 -8.907 7.394 1.00 0.00 C ATOM 1287 O ASP A 85 0.933 -8.090 8.223 1.00 0.00 O ATOM 1288 CB ASP A 85 -0.423 -11.145 7.841 1.00 0.00 C ATOM 1289 CG ASP A 85 -0.391 -11.592 9.304 1.00 0.00 C ATOM 1290 OD1 ASP A 85 -0.567 -10.709 10.171 1.00 0.00 O ATOM 1291 OD2 ASP A 85 -0.191 -12.807 9.522 1.00 0.00 O ATOM 0 H ASP A 85 -1.869 -10.368 5.980 1.00 0.00 H new ATOM 0 HA ASP A 85 -1.300 -9.292 8.497 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -1.149 -11.757 7.305 1.00 0.00 H new ATOM 0 HB3 ASP A 85 0.552 -11.343 7.395 1.00 0.00 H new ATOM 1296 N LEU A 86 1.164 -9.198 6.265 1.00 0.00 N ATOM 1297 CA LEU A 86 2.416 -8.548 5.917 1.00 0.00 C ATOM 1298 C LEU A 86 2.171 -7.051 5.722 1.00 0.00 C ATOM 1299 O LEU A 86 3.089 -6.244 5.863 1.00 0.00 O ATOM 1300 CB LEU A 86 3.055 -9.230 4.706 1.00 0.00 C ATOM 1301 CG LEU A 86 3.853 -10.503 4.996 1.00 0.00 C ATOM 1302 CD1 LEU A 86 3.997 -11.359 3.736 1.00 0.00 C ATOM 1303 CD2 LEU A 86 5.209 -10.170 5.621 1.00 0.00 C ATOM 0 H LEU A 86 0.830 -9.876 5.579 1.00 0.00 H new ATOM 0 HA LEU A 86 3.137 -8.650 6.728 1.00 0.00 H new ATOM 0 HB2 LEU A 86 2.267 -9.474 3.993 1.00 0.00 H new ATOM 0 HB3 LEU A 86 3.716 -8.514 4.218 1.00 0.00 H new ATOM 0 HG LEU A 86 3.299 -11.094 5.725 1.00 0.00 H new ATOM 0 HD11 LEU A 86 4.568 -12.257 3.970 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.009 -11.641 3.373 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.517 -10.789 2.966 1.00 0.00 H new ATOM 0 HD21 LEU A 86 5.756 -11.092 5.817 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.783 -9.547 4.935 1.00 0.00 H new ATOM 0 HD23 LEU A 86 5.056 -9.633 6.557 1.00 0.00 H new ATOM 1315 N MET A 87 0.928 -6.724 5.399 1.00 0.00 N ATOM 1316 CA MET A 87 0.550 -5.338 5.183 1.00 0.00 C ATOM 1317 C MET A 87 -0.113 -4.749 6.429 1.00 0.00 C ATOM 1318 O MET A 87 -1.089 -4.008 6.326 1.00 0.00 O ATOM 1319 CB MET A 87 -0.416 -5.250 4.000 1.00 0.00 C ATOM 1320 CG MET A 87 0.197 -5.871 2.743 1.00 0.00 C ATOM 1321 SD MET A 87 1.614 -4.919 2.221 1.00 0.00 S ATOM 1322 CE MET A 87 0.930 -3.273 2.311 1.00 0.00 C ATOM 0 H MET A 87 0.170 -7.396 5.282 1.00 0.00 H new ATOM 0 HA MET A 87 1.452 -4.765 4.970 1.00 0.00 H new ATOM 0 HB2 MET A 87 -1.346 -5.762 4.247 1.00 0.00 H new ATOM 0 HB3 MET A 87 -0.668 -4.207 3.809 1.00 0.00 H new ATOM 0 HG2 MET A 87 0.494 -6.900 2.944 1.00 0.00 H new ATOM 0 HG3 MET A 87 -0.544 -5.903 1.945 1.00 0.00 H new ATOM 0 HE1 MET A 87 1.538 -2.593 1.714 1.00 0.00 H new ATOM 0 HE2 MET A 87 -0.090 -3.281 1.926 1.00 0.00 H new ATOM 0 HE3 MET A 87 0.923 -2.938 3.348 1.00 0.00 H new ATOM 1332 N LYS A 88 0.443 -5.101 7.579 1.00 0.00 N ATOM 1333 CA LYS A 88 -0.082 -4.617 8.844 1.00 0.00 C ATOM 1334 C LYS A 88 0.323 -3.154 9.033 1.00 0.00 C ATOM 1335 O LYS A 88 1.322 -2.705 8.473 1.00 0.00 O ATOM 1336 CB LYS A 88 0.356 -5.530 9.991 1.00 0.00 C ATOM 1337 CG LYS A 88 -0.690 -6.614 10.260 1.00 0.00 C ATOM 1338 CD LYS A 88 -1.180 -6.556 11.708 1.00 0.00 C ATOM 1339 CE LYS A 88 -1.236 -7.956 12.324 1.00 0.00 C ATOM 1340 NZ LYS A 88 -2.608 -8.504 12.238 1.00 0.00 N ATOM 0 H LYS A 88 1.252 -5.716 7.661 1.00 0.00 H new ATOM 0 HA LYS A 88 -1.172 -4.649 8.841 1.00 0.00 H new ATOM 0 HB2 LYS A 88 1.311 -5.994 9.746 1.00 0.00 H new ATOM 0 HB3 LYS A 88 0.511 -4.938 10.893 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -1.534 -6.487 9.582 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -0.262 -7.596 10.056 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -0.515 -5.923 12.296 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -2.169 -6.099 11.743 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -0.541 -8.616 11.805 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -0.919 -7.914 13.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -2.629 -9.454 12.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -3.263 -7.882 12.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -2.897 -8.562 11.241 1.00 0.00 H new ATOM 1354 N PRO A 89 -0.494 -2.432 9.847 1.00 0.00 N ATOM 1355 CA PRO A 89 -0.230 -1.029 10.117 1.00 0.00 C ATOM 1356 C PRO A 89 0.939 -0.868 11.091 1.00 0.00 C ATOM 1357 O PRO A 89 0.967 -1.504 12.143 1.00 0.00 O ATOM 1358 CB PRO A 89 -1.538 -0.481 10.664 1.00 0.00 C ATOM 1359 CG PRO A 89 -2.340 -1.691 11.115 1.00 0.00 C ATOM 1360 CD PRO A 89 -1.685 -2.930 10.528 1.00 0.00 C ATOM 0 HA PRO A 89 0.076 -0.480 9.226 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -1.359 0.201 11.495 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -2.076 0.082 9.901 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -2.362 -1.750 12.203 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -3.374 -1.610 10.779 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -1.425 -3.647 11.307 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -2.353 -3.440 9.835 1.00 0.00 H new ATOM 1368 N GLY A 90 1.876 -0.015 10.705 1.00 0.00 N ATOM 1369 CA GLY A 90 3.045 0.238 11.531 1.00 0.00 C ATOM 1370 C GLY A 90 4.137 -0.801 11.267 1.00 0.00 C ATOM 1371 O GLY A 90 4.988 -1.043 12.122 1.00 0.00 O ATOM 0 H GLY A 90 1.850 0.510 9.831 1.00 0.00 H new ATOM 0 HA2 GLY A 90 3.431 1.237 11.326 1.00 0.00 H new ATOM 0 HA3 GLY A 90 2.763 0.215 12.584 1.00 0.00 H new ATOM 1375 N ALA A 91 4.077 -1.388 10.081 1.00 0.00 N ATOM 1376 CA ALA A 91 5.050 -2.395 9.694 1.00 0.00 C ATOM 1377 C ALA A 91 5.674 -2.007 8.352 1.00 0.00 C ATOM 1378 O ALA A 91 5.075 -1.264 7.577 1.00 0.00 O ATOM 1379 CB ALA A 91 4.375 -3.767 9.648 1.00 0.00 C ATOM 0 H ALA A 91 3.369 -1.185 9.375 1.00 0.00 H new ATOM 0 HA ALA A 91 5.855 -2.452 10.427 1.00 0.00 H new ATOM 0 HB1 ALA A 91 5.105 -4.522 9.358 1.00 0.00 H new ATOM 0 HB2 ALA A 91 3.975 -4.009 10.633 1.00 0.00 H new ATOM 0 HB3 ALA A 91 3.563 -3.749 8.921 1.00 0.00 H new ATOM 1385 N THR A 92 6.871 -2.527 8.120 1.00 0.00 N ATOM 1386 CA THR A 92 7.583 -2.244 6.885 1.00 0.00 C ATOM 1387 C THR A 92 7.715 -3.514 6.043 1.00 0.00 C ATOM 1388 O THR A 92 8.110 -4.562 6.552 1.00 0.00 O ATOM 1389 CB THR A 92 8.928 -1.613 7.249 1.00 0.00 C ATOM 1390 OG1 THR A 92 8.576 -0.457 8.005 1.00 0.00 O ATOM 1391 CG2 THR A 92 9.660 -1.051 6.029 1.00 0.00 C ATOM 0 H THR A 92 7.365 -3.142 8.766 1.00 0.00 H new ATOM 0 HA THR A 92 7.033 -1.536 6.264 1.00 0.00 H new ATOM 0 HB THR A 92 9.557 -2.356 7.739 1.00 0.00 H new ATOM 0 HG1 THR A 92 8.347 -0.722 8.920 1.00 0.00 H new ATOM 0 HG21 THR A 92 10.608 -0.615 6.343 1.00 0.00 H new ATOM 0 HG22 THR A 92 9.848 -1.854 5.316 1.00 0.00 H new ATOM 0 HG23 THR A 92 9.046 -0.284 5.558 1.00 0.00 H new ATOM 1399 N VAL A 93 7.378 -3.379 4.769 1.00 0.00 N ATOM 1400 CA VAL A 93 7.455 -4.503 3.851 1.00 0.00 C ATOM 1401 C VAL A 93 7.846 -3.996 2.462 1.00 0.00 C ATOM 1402 O VAL A 93 7.562 -2.851 2.112 1.00 0.00 O ATOM 1403 CB VAL A 93 6.133 -5.273 3.856 1.00 0.00 C ATOM 1404 CG1 VAL A 93 5.812 -5.803 5.255 1.00 0.00 C ATOM 1405 CG2 VAL A 93 4.991 -4.406 3.323 1.00 0.00 C ATOM 0 H VAL A 93 7.051 -2.508 4.350 1.00 0.00 H new ATOM 0 HA VAL A 93 8.226 -5.204 4.170 1.00 0.00 H new ATOM 0 HB VAL A 93 6.242 -6.129 3.190 1.00 0.00 H new ATOM 0 HG11 VAL A 93 4.867 -6.346 5.230 1.00 0.00 H new ATOM 0 HG12 VAL A 93 6.607 -6.473 5.582 1.00 0.00 H new ATOM 0 HG13 VAL A 93 5.732 -4.968 5.951 1.00 0.00 H new ATOM 0 HG21 VAL A 93 4.063 -4.978 3.337 1.00 0.00 H new ATOM 0 HG22 VAL A 93 4.882 -3.522 3.951 1.00 0.00 H new ATOM 0 HG23 VAL A 93 5.213 -4.100 2.301 1.00 0.00 H new ATOM 1415 N ILE A 94 8.491 -4.872 1.707 1.00 0.00 N ATOM 1416 CA ILE A 94 8.925 -4.527 0.363 1.00 0.00 C ATOM 1417 C ILE A 94 7.997 -5.196 -0.654 1.00 0.00 C ATOM 1418 O ILE A 94 7.375 -6.214 -0.357 1.00 0.00 O ATOM 1419 CB ILE A 94 10.402 -4.876 0.170 1.00 0.00 C ATOM 1420 CG1 ILE A 94 11.303 -3.827 0.827 1.00 0.00 C ATOM 1421 CG2 ILE A 94 10.731 -5.068 -1.311 1.00 0.00 C ATOM 1422 CD1 ILE A 94 12.736 -4.345 0.965 1.00 0.00 C ATOM 0 H ILE A 94 8.724 -5.821 2.000 1.00 0.00 H new ATOM 0 HA ILE A 94 8.853 -3.451 0.203 1.00 0.00 H new ATOM 0 HB ILE A 94 10.597 -5.826 0.668 1.00 0.00 H new ATOM 0 HG12 ILE A 94 11.298 -2.914 0.232 1.00 0.00 H new ATOM 0 HG13 ILE A 94 10.910 -3.569 1.810 1.00 0.00 H new ATOM 0 HG21 ILE A 94 11.787 -5.315 -1.420 1.00 0.00 H new ATOM 0 HG22 ILE A 94 10.125 -5.878 -1.716 1.00 0.00 H new ATOM 0 HG23 ILE A 94 10.516 -4.148 -1.854 1.00 0.00 H new ATOM 0 HD11 ILE A 94 13.355 -3.581 1.434 1.00 0.00 H new ATOM 0 HD12 ILE A 94 12.740 -5.244 1.581 1.00 0.00 H new ATOM 0 HD13 ILE A 94 13.135 -4.579 -0.022 1.00 0.00 H new ATOM 1434 N LEU A 95 7.935 -4.595 -1.833 1.00 0.00 N ATOM 1435 CA LEU A 95 7.094 -5.119 -2.896 1.00 0.00 C ATOM 1436 C LEU A 95 7.975 -5.566 -4.065 1.00 0.00 C ATOM 1437 O LEU A 95 8.692 -4.756 -4.651 1.00 0.00 O ATOM 1438 CB LEU A 95 6.026 -4.097 -3.288 1.00 0.00 C ATOM 1439 CG LEU A 95 4.613 -4.370 -2.768 1.00 0.00 C ATOM 1440 CD1 LEU A 95 4.641 -4.788 -1.297 1.00 0.00 C ATOM 1441 CD2 LEU A 95 3.699 -3.166 -3.005 1.00 0.00 C ATOM 0 H LEU A 95 8.453 -3.751 -2.076 1.00 0.00 H new ATOM 0 HA LEU A 95 6.550 -5.998 -2.552 1.00 0.00 H new ATOM 0 HB2 LEU A 95 6.341 -3.117 -2.930 1.00 0.00 H new ATOM 0 HB3 LEU A 95 5.987 -4.041 -4.376 1.00 0.00 H new ATOM 0 HG LEU A 95 4.197 -5.205 -3.332 1.00 0.00 H new ATOM 0 HD11 LEU A 95 3.624 -4.976 -0.953 1.00 0.00 H new ATOM 0 HD12 LEU A 95 5.235 -5.696 -1.188 1.00 0.00 H new ATOM 0 HD13 LEU A 95 5.084 -3.991 -0.701 1.00 0.00 H new ATOM 0 HD21 LEU A 95 2.701 -3.387 -2.626 1.00 0.00 H new ATOM 0 HD22 LEU A 95 4.101 -2.296 -2.485 1.00 0.00 H new ATOM 0 HD23 LEU A 95 3.643 -2.956 -4.073 1.00 0.00 H new ATOM 1453 N ARG A 96 7.894 -6.853 -4.368 1.00 0.00 N ATOM 1454 CA ARG A 96 8.675 -7.417 -5.455 1.00 0.00 C ATOM 1455 C ARG A 96 7.764 -7.781 -6.630 1.00 0.00 C ATOM 1456 O ARG A 96 6.752 -8.456 -6.450 1.00 0.00 O ATOM 1457 CB ARG A 96 9.432 -8.666 -5.000 1.00 0.00 C ATOM 1458 CG ARG A 96 10.370 -8.344 -3.834 1.00 0.00 C ATOM 1459 CD ARG A 96 11.751 -7.925 -4.342 1.00 0.00 C ATOM 1460 NE ARG A 96 12.787 -8.828 -3.794 1.00 0.00 N ATOM 1461 CZ ARG A 96 13.995 -9.009 -4.345 1.00 0.00 C ATOM 1462 NH1 ARG A 96 14.325 -8.350 -5.464 1.00 0.00 N ATOM 1463 NH2 ARG A 96 14.872 -9.849 -3.779 1.00 0.00 N ATOM 0 H ARG A 96 7.299 -7.522 -3.879 1.00 0.00 H new ATOM 0 HA ARG A 96 9.397 -6.663 -5.770 1.00 0.00 H new ATOM 0 HB2 ARG A 96 8.722 -9.436 -4.698 1.00 0.00 H new ATOM 0 HB3 ARG A 96 10.007 -9.071 -5.833 1.00 0.00 H new ATOM 0 HG2 ARG A 96 9.943 -7.544 -3.229 1.00 0.00 H new ATOM 0 HG3 ARG A 96 10.465 -9.216 -3.188 1.00 0.00 H new ATOM 0 HD2 ARG A 96 11.771 -7.954 -5.431 1.00 0.00 H new ATOM 0 HD3 ARG A 96 11.960 -6.897 -4.046 1.00 0.00 H new ATOM 0 HE ARG A 96 12.568 -9.346 -2.943 1.00 0.00 H new ATOM 0 HH11 ARG A 96 13.657 -7.711 -5.896 1.00 0.00 H new ATOM 0 HH12 ARG A 96 15.244 -8.487 -5.884 1.00 0.00 H new ATOM 0 HH21 ARG A 96 14.620 -10.352 -2.928 1.00 0.00 H new ATOM 0 HH22 ARG A 96 15.791 -9.986 -4.199 1.00 0.00 H new ATOM 1477 N ASN A 97 8.157 -7.317 -7.807 1.00 0.00 N ATOM 1478 CA ASN A 97 7.389 -7.585 -9.011 1.00 0.00 C ATOM 1479 C ASN A 97 6.012 -6.930 -8.889 1.00 0.00 C ATOM 1480 O ASN A 97 5.037 -7.413 -9.463 1.00 0.00 O ATOM 1481 CB ASN A 97 7.182 -9.088 -9.209 1.00 0.00 C ATOM 1482 CG ASN A 97 7.465 -9.494 -10.657 1.00 0.00 C ATOM 1483 OD1 ASN A 97 8.574 -9.388 -11.153 1.00 0.00 O ATOM 1484 ND2 ASN A 97 6.402 -9.965 -11.304 1.00 0.00 N ATOM 0 H ASN A 97 8.997 -6.757 -7.953 1.00 0.00 H new ATOM 0 HA ASN A 97 7.941 -7.182 -9.860 1.00 0.00 H new ATOM 0 HB2 ASN A 97 7.839 -9.641 -8.537 1.00 0.00 H new ATOM 0 HB3 ASN A 97 6.159 -9.356 -8.946 1.00 0.00 H new ATOM 0 HD21 ASN A 97 6.487 -10.264 -12.275 1.00 0.00 H new ATOM 0 HD22 ASN A 97 5.502 -10.027 -10.829 1.00 0.00 H new ATOM 1491 N SER A 98 5.975 -5.840 -8.136 1.00 0.00 N ATOM 1492 CA SER A 98 4.734 -5.113 -7.931 1.00 0.00 C ATOM 1493 C SER A 98 4.378 -4.318 -9.190 1.00 0.00 C ATOM 1494 O SER A 98 5.199 -3.557 -9.700 1.00 0.00 O ATOM 1495 CB SER A 98 4.835 -4.179 -6.724 1.00 0.00 C ATOM 1496 OG SER A 98 6.053 -3.439 -6.723 1.00 0.00 O ATOM 0 H SER A 98 6.785 -5.443 -7.660 1.00 0.00 H new ATOM 0 HA SER A 98 3.944 -5.836 -7.731 1.00 0.00 H new ATOM 0 HB2 SER A 98 3.991 -3.489 -6.728 1.00 0.00 H new ATOM 0 HB3 SER A 98 4.765 -4.763 -5.806 1.00 0.00 H new ATOM 0 HG SER A 98 5.955 -2.649 -6.152 1.00 0.00 H new ATOM 1502 N ARG A 99 3.154 -4.522 -9.654 1.00 0.00 N ATOM 1503 CA ARG A 99 2.680 -3.834 -10.842 1.00 0.00 C ATOM 1504 C ARG A 99 1.758 -2.677 -10.454 1.00 0.00 C ATOM 1505 O ARG A 99 1.189 -2.672 -9.363 1.00 0.00 O ATOM 1506 CB ARG A 99 1.926 -4.790 -11.768 1.00 0.00 C ATOM 1507 CG ARG A 99 0.846 -5.557 -11.002 1.00 0.00 C ATOM 1508 CD ARG A 99 -0.412 -5.731 -11.855 1.00 0.00 C ATOM 1509 NE ARG A 99 -1.403 -6.560 -11.133 1.00 0.00 N ATOM 1510 CZ ARG A 99 -2.559 -6.982 -11.663 1.00 0.00 C ATOM 1511 NH1 ARG A 99 -2.878 -6.654 -12.923 1.00 0.00 N ATOM 1512 NH2 ARG A 99 -3.397 -7.730 -10.933 1.00 0.00 N ATOM 0 H ARG A 99 2.476 -5.154 -9.228 1.00 0.00 H new ATOM 0 HA ARG A 99 3.551 -3.446 -11.370 1.00 0.00 H new ATOM 0 HB2 ARG A 99 1.469 -4.228 -12.583 1.00 0.00 H new ATOM 0 HB3 ARG A 99 2.626 -5.493 -12.219 1.00 0.00 H new ATOM 0 HG2 ARG A 99 1.228 -6.534 -10.708 1.00 0.00 H new ATOM 0 HG3 ARG A 99 0.597 -5.023 -10.085 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -0.841 -4.756 -12.087 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -0.155 -6.201 -12.804 1.00 0.00 H new ATOM 0 HE ARG A 99 -1.193 -6.827 -10.171 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -2.241 -6.083 -13.478 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -3.758 -6.975 -13.326 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -3.155 -7.978 -9.974 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -4.277 -8.051 -11.336 1.00 0.00 H new ATOM 1526 N ILE A 100 1.638 -1.725 -11.368 1.00 0.00 N ATOM 1527 CA ILE A 100 0.794 -0.566 -11.134 1.00 0.00 C ATOM 1528 C ILE A 100 -0.466 -0.676 -11.994 1.00 0.00 C ATOM 1529 O ILE A 100 -0.380 -0.841 -13.210 1.00 0.00 O ATOM 1530 CB ILE A 100 1.583 0.725 -11.362 1.00 0.00 C ATOM 1531 CG1 ILE A 100 2.678 0.893 -10.306 1.00 0.00 C ATOM 1532 CG2 ILE A 100 0.649 1.936 -11.416 1.00 0.00 C ATOM 1533 CD1 ILE A 100 2.079 1.278 -8.952 1.00 0.00 C ATOM 0 H ILE A 100 2.111 -1.733 -12.272 1.00 0.00 H new ATOM 0 HA ILE A 100 0.469 -0.535 -10.094 1.00 0.00 H new ATOM 0 HB ILE A 100 2.078 0.656 -12.331 1.00 0.00 H new ATOM 0 HG12 ILE A 100 3.240 -0.036 -10.208 1.00 0.00 H new ATOM 0 HG13 ILE A 100 3.383 1.660 -10.627 1.00 0.00 H new ATOM 0 HG21 ILE A 100 1.235 2.841 -11.579 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -0.061 1.812 -12.233 1.00 0.00 H new ATOM 0 HG23 ILE A 100 0.107 2.020 -10.474 1.00 0.00 H new ATOM 0 HD11 ILE A 100 2.878 1.391 -8.220 1.00 0.00 H new ATOM 0 HD12 ILE A 100 1.539 2.220 -9.048 1.00 0.00 H new ATOM 0 HD13 ILE A 100 1.393 0.498 -8.623 1.00 0.00 H new ATOM 1545 N ASP A 101 -1.608 -0.581 -11.328 1.00 0.00 N ATOM 1546 CA ASP A 101 -2.885 -0.668 -12.017 1.00 0.00 C ATOM 1547 C ASP A 101 -3.384 0.742 -12.336 1.00 0.00 C ATOM 1548 O ASP A 101 -3.510 1.578 -11.443 1.00 0.00 O ATOM 1549 CB ASP A 101 -3.936 -1.355 -11.143 1.00 0.00 C ATOM 1550 CG ASP A 101 -3.429 -2.560 -10.347 1.00 0.00 C ATOM 1551 OD1 ASP A 101 -2.418 -3.147 -10.789 1.00 0.00 O ATOM 1552 OD2 ASP A 101 -4.063 -2.866 -9.315 1.00 0.00 O ATOM 0 H ASP A 101 -1.676 -0.445 -10.319 1.00 0.00 H new ATOM 0 HA ASP A 101 -2.738 -1.248 -12.928 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -4.341 -0.622 -10.445 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -4.760 -1.679 -11.779 1.00 0.00 H new ATOM 1557 N MET A 102 -3.656 0.964 -13.614 1.00 0.00 N ATOM 1558 CA MET A 102 -4.139 2.258 -14.063 1.00 0.00 C ATOM 1559 C MET A 102 -5.633 2.417 -13.772 1.00 0.00 C ATOM 1560 O MET A 102 -6.468 1.816 -14.446 1.00 0.00 O ATOM 1561 CB MET A 102 -3.894 2.402 -15.566 1.00 0.00 C ATOM 1562 CG MET A 102 -3.180 3.718 -15.882 1.00 0.00 C ATOM 1563 SD MET A 102 -4.274 5.095 -15.574 1.00 0.00 S ATOM 1564 CE MET A 102 -3.266 6.046 -14.449 1.00 0.00 C ATOM 0 H MET A 102 -3.551 0.269 -14.353 1.00 0.00 H new ATOM 0 HA MET A 102 -3.598 3.034 -13.522 1.00 0.00 H new ATOM 0 HB2 MET A 102 -3.294 1.564 -15.922 1.00 0.00 H new ATOM 0 HB3 MET A 102 -4.844 2.363 -16.098 1.00 0.00 H new ATOM 0 HG2 MET A 102 -2.283 3.811 -15.269 1.00 0.00 H new ATOM 0 HG3 MET A 102 -2.857 3.725 -16.923 1.00 0.00 H new ATOM 0 HE1 MET A 102 -3.893 6.757 -13.911 1.00 0.00 H new ATOM 0 HE2 MET A 102 -2.784 5.376 -13.737 1.00 0.00 H new ATOM 0 HE3 MET A 102 -2.504 6.586 -15.011 1.00 0.00 H new ATOM 1574 N PHE A 103 -5.924 3.230 -12.768 1.00 0.00 N ATOM 1575 CA PHE A 103 -7.303 3.476 -12.379 1.00 0.00 C ATOM 1576 C PHE A 103 -7.840 4.748 -13.039 1.00 0.00 C ATOM 1577 O PHE A 103 -7.068 5.620 -13.435 1.00 0.00 O ATOM 1578 CB PHE A 103 -7.314 3.660 -10.861 1.00 0.00 C ATOM 1579 CG PHE A 103 -8.715 3.795 -10.260 1.00 0.00 C ATOM 1580 CD1 PHE A 103 -9.743 3.060 -10.761 1.00 0.00 C ATOM 1581 CD2 PHE A 103 -8.931 4.651 -9.225 1.00 0.00 C ATOM 1582 CE1 PHE A 103 -11.043 3.186 -10.204 1.00 0.00 C ATOM 1583 CE2 PHE A 103 -10.231 4.776 -8.668 1.00 0.00 C ATOM 1584 CZ PHE A 103 -11.260 4.041 -9.169 1.00 0.00 C ATOM 0 H PHE A 103 -5.229 3.727 -12.211 1.00 0.00 H new ATOM 0 HA PHE A 103 -7.932 2.643 -12.692 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -6.812 2.810 -10.399 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -6.735 4.548 -10.609 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -9.571 2.380 -11.583 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -8.114 5.235 -8.827 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -11.860 2.603 -10.602 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -10.403 5.455 -7.846 1.00 0.00 H new ATOM 0 HZ PHE A 103 -12.249 4.136 -8.745 1.00 0.00 H new ATOM 1594 N LYS A 104 -9.160 4.813 -13.137 1.00 0.00 N ATOM 1595 CA LYS A 104 -9.809 5.964 -13.741 1.00 0.00 C ATOM 1596 C LYS A 104 -9.109 7.242 -13.275 1.00 0.00 C ATOM 1597 O LYS A 104 -9.392 7.749 -12.191 1.00 0.00 O ATOM 1598 CB LYS A 104 -11.311 5.945 -13.452 1.00 0.00 C ATOM 1599 CG LYS A 104 -11.579 5.783 -11.954 1.00 0.00 C ATOM 1600 CD LYS A 104 -12.563 6.842 -11.455 1.00 0.00 C ATOM 1601 CE LYS A 104 -13.522 6.255 -10.417 1.00 0.00 C ATOM 1602 NZ LYS A 104 -14.721 7.111 -10.276 1.00 0.00 N ATOM 0 H LYS A 104 -9.797 4.087 -12.808 1.00 0.00 H new ATOM 0 HA LYS A 104 -9.716 5.927 -14.826 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -11.765 6.869 -13.808 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -11.780 5.128 -14.000 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -11.980 4.788 -11.758 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -10.642 5.864 -11.403 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -12.014 7.676 -11.017 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -13.131 7.240 -12.296 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -13.819 5.250 -10.715 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -13.016 6.166 -9.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -15.361 6.698 -9.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -14.434 8.063 -9.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -15.212 7.175 -11.191 1.00 0.00 H new ATOM 1616 N GLY A 105 -8.210 7.727 -14.119 1.00 0.00 N ATOM 1617 CA GLY A 105 -7.467 8.937 -13.807 1.00 0.00 C ATOM 1618 C GLY A 105 -6.689 8.781 -12.499 1.00 0.00 C ATOM 1619 O GLY A 105 -6.661 9.694 -11.676 1.00 0.00 O ATOM 0 H GLY A 105 -7.979 7.304 -15.018 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -6.777 9.164 -14.620 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -8.154 9.779 -13.727 1.00 0.00 H new ATOM 1623 N THR A 106 -6.076 7.616 -12.348 1.00 0.00 N ATOM 1624 CA THR A 106 -5.299 7.328 -11.154 1.00 0.00 C ATOM 1625 C THR A 106 -4.600 5.973 -11.286 1.00 0.00 C ATOM 1626 O THR A 106 -4.686 5.326 -12.329 1.00 0.00 O ATOM 1627 CB THR A 106 -6.236 7.413 -9.948 1.00 0.00 C ATOM 1628 OG1 THR A 106 -7.540 7.312 -10.514 1.00 0.00 O ATOM 1629 CG2 THR A 106 -6.222 8.796 -9.292 1.00 0.00 C ATOM 0 H THR A 106 -6.102 6.860 -13.033 1.00 0.00 H new ATOM 0 HA THR A 106 -4.501 8.058 -11.016 1.00 0.00 H new ATOM 0 HB THR A 106 -5.952 6.659 -9.214 1.00 0.00 H new ATOM 0 HG1 THR A 106 -7.993 6.522 -10.153 1.00 0.00 H new ATOM 0 HG21 THR A 106 -6.904 8.802 -8.442 1.00 0.00 H new ATOM 0 HG22 THR A 106 -5.213 9.026 -8.950 1.00 0.00 H new ATOM 0 HG23 THR A 106 -6.539 9.546 -10.017 1.00 0.00 H new ATOM 1637 N MET A 107 -3.925 5.585 -10.215 1.00 0.00 N ATOM 1638 CA MET A 107 -3.212 4.319 -10.197 1.00 0.00 C ATOM 1639 C MET A 107 -3.054 3.798 -8.768 1.00 0.00 C ATOM 1640 O MET A 107 -3.231 4.546 -7.807 1.00 0.00 O ATOM 1641 CB MET A 107 -1.831 4.502 -10.830 1.00 0.00 C ATOM 1642 CG MET A 107 -1.040 5.596 -10.112 1.00 0.00 C ATOM 1643 SD MET A 107 0.677 5.124 -9.983 1.00 0.00 S ATOM 1644 CE MET A 107 0.966 5.473 -8.257 1.00 0.00 C ATOM 0 H MET A 107 -3.856 6.125 -9.353 1.00 0.00 H new ATOM 0 HA MET A 107 -3.789 3.591 -10.767 1.00 0.00 H new ATOM 0 HB2 MET A 107 -1.280 3.562 -10.787 1.00 0.00 H new ATOM 0 HB3 MET A 107 -1.941 4.760 -11.883 1.00 0.00 H new ATOM 0 HG2 MET A 107 -1.127 6.536 -10.657 1.00 0.00 H new ATOM 0 HG3 MET A 107 -1.455 5.764 -9.118 1.00 0.00 H new ATOM 0 HE1 MET A 107 1.564 6.380 -8.164 1.00 0.00 H new ATOM 0 HE2 MET A 107 0.012 5.614 -7.750 1.00 0.00 H new ATOM 0 HE3 MET A 107 1.499 4.639 -7.801 1.00 0.00 H new ATOM 1654 N ARG A 108 -2.723 2.519 -8.671 1.00 0.00 N ATOM 1655 CA ARG A 108 -2.539 1.889 -7.375 1.00 0.00 C ATOM 1656 C ARG A 108 -1.439 0.827 -7.451 1.00 0.00 C ATOM 1657 O ARG A 108 -1.065 0.394 -8.540 1.00 0.00 O ATOM 1658 CB ARG A 108 -3.835 1.237 -6.890 1.00 0.00 C ATOM 1659 CG ARG A 108 -4.883 2.294 -6.539 1.00 0.00 C ATOM 1660 CD ARG A 108 -6.295 1.709 -6.602 1.00 0.00 C ATOM 1661 NE ARG A 108 -6.575 0.929 -5.375 1.00 0.00 N ATOM 1662 CZ ARG A 108 -7.697 0.225 -5.172 1.00 0.00 C ATOM 1663 NH1 ARG A 108 -8.651 0.200 -6.112 1.00 0.00 N ATOM 1664 NH2 ARG A 108 -7.865 -0.453 -4.028 1.00 0.00 N ATOM 0 H ARG A 108 -2.577 1.901 -9.470 1.00 0.00 H new ATOM 0 HA ARG A 108 -2.250 2.666 -6.668 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -4.225 0.576 -7.664 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -3.630 0.619 -6.016 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -4.691 2.683 -5.539 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -4.803 3.134 -7.229 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -7.025 2.511 -6.708 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -6.394 1.070 -7.480 1.00 0.00 H new ATOM 0 HE ARG A 108 -5.870 0.927 -4.638 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -8.523 0.717 -6.982 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -9.505 -0.336 -5.958 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -7.139 -0.433 -3.312 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -8.719 -0.989 -3.873 1.00 0.00 H new ATOM 1678 N LEU A 109 -0.953 0.440 -6.282 1.00 0.00 N ATOM 1679 CA LEU A 109 0.096 -0.563 -6.202 1.00 0.00 C ATOM 1680 C LEU A 109 -0.531 -1.928 -5.914 1.00 0.00 C ATOM 1681 O LEU A 109 -1.417 -2.043 -5.068 1.00 0.00 O ATOM 1682 CB LEU A 109 1.159 -0.146 -5.184 1.00 0.00 C ATOM 1683 CG LEU A 109 2.443 -0.979 -5.177 1.00 0.00 C ATOM 1684 CD1 LEU A 109 3.159 -0.894 -6.526 1.00 0.00 C ATOM 1685 CD2 LEU A 109 3.354 -0.571 -4.017 1.00 0.00 C ATOM 0 H LEU A 109 -1.266 0.803 -5.381 1.00 0.00 H new ATOM 0 HA LEU A 109 0.617 -0.647 -7.156 1.00 0.00 H new ATOM 0 HB2 LEU A 109 1.425 0.894 -5.371 1.00 0.00 H new ATOM 0 HB3 LEU A 109 0.717 -0.188 -4.189 1.00 0.00 H new ATOM 0 HG LEU A 109 2.172 -2.023 -5.022 1.00 0.00 H new ATOM 0 HD11 LEU A 109 4.068 -1.495 -6.494 1.00 0.00 H new ATOM 0 HD12 LEU A 109 2.503 -1.271 -7.311 1.00 0.00 H new ATOM 0 HD13 LEU A 109 3.417 0.144 -6.736 1.00 0.00 H new ATOM 0 HD21 LEU A 109 4.259 -1.178 -4.035 1.00 0.00 H new ATOM 0 HD22 LEU A 109 3.620 0.481 -4.116 1.00 0.00 H new ATOM 0 HD23 LEU A 109 2.832 -0.725 -3.073 1.00 0.00 H new ATOM 1697 N GLY A 110 -0.046 -2.930 -6.633 1.00 0.00 N ATOM 1698 CA GLY A 110 -0.547 -4.283 -6.465 1.00 0.00 C ATOM 1699 C GLY A 110 0.508 -5.314 -6.872 1.00 0.00 C ATOM 1700 O GLY A 110 1.402 -5.013 -7.663 1.00 0.00 O ATOM 0 H GLY A 110 0.689 -2.831 -7.333 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -0.834 -4.442 -5.425 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -1.445 -4.419 -7.068 1.00 0.00 H new ATOM 1704 N VAL A 111 0.370 -6.507 -6.314 1.00 0.00 N ATOM 1705 CA VAL A 111 1.300 -7.584 -6.610 1.00 0.00 C ATOM 1706 C VAL A 111 0.568 -8.691 -7.370 1.00 0.00 C ATOM 1707 O VAL A 111 -0.475 -9.168 -6.926 1.00 0.00 O ATOM 1708 CB VAL A 111 1.956 -8.078 -5.319 1.00 0.00 C ATOM 1709 CG1 VAL A 111 2.302 -9.565 -5.415 1.00 0.00 C ATOM 1710 CG2 VAL A 111 3.195 -7.247 -4.980 1.00 0.00 C ATOM 0 H VAL A 111 -0.372 -6.752 -5.658 1.00 0.00 H new ATOM 0 HA VAL A 111 2.105 -7.227 -7.252 1.00 0.00 H new ATOM 0 HB VAL A 111 1.238 -7.953 -4.509 1.00 0.00 H new ATOM 0 HG11 VAL A 111 2.767 -9.891 -4.485 1.00 0.00 H new ATOM 0 HG12 VAL A 111 1.392 -10.140 -5.587 1.00 0.00 H new ATOM 0 HG13 VAL A 111 2.994 -9.725 -6.242 1.00 0.00 H new ATOM 0 HG21 VAL A 111 3.642 -7.619 -4.058 1.00 0.00 H new ATOM 0 HG22 VAL A 111 3.919 -7.325 -5.791 1.00 0.00 H new ATOM 0 HG23 VAL A 111 2.909 -6.204 -4.849 1.00 0.00 H new ATOM 1720 N ASP A 112 1.143 -9.067 -8.504 1.00 0.00 N ATOM 1721 CA ASP A 112 0.557 -10.109 -9.330 1.00 0.00 C ATOM 1722 C ASP A 112 0.870 -11.475 -8.718 1.00 0.00 C ATOM 1723 O ASP A 112 1.583 -11.564 -7.719 1.00 0.00 O ATOM 1724 CB ASP A 112 1.138 -10.080 -10.745 1.00 0.00 C ATOM 1725 CG ASP A 112 0.187 -9.559 -11.824 1.00 0.00 C ATOM 1726 OD1 ASP A 112 -1.032 -9.783 -11.663 1.00 0.00 O ATOM 1727 OD2 ASP A 112 0.701 -8.947 -12.786 1.00 0.00 O ATOM 0 H ASP A 112 2.008 -8.669 -8.869 1.00 0.00 H new ATOM 0 HA ASP A 112 -0.518 -9.938 -9.378 1.00 0.00 H new ATOM 0 HB2 ASP A 112 2.034 -9.459 -10.741 1.00 0.00 H new ATOM 0 HB3 ASP A 112 1.451 -11.089 -11.014 1.00 0.00 H new ATOM 1732 N LYS A 113 0.321 -12.507 -9.341 1.00 0.00 N ATOM 1733 CA LYS A 113 0.533 -13.866 -8.870 1.00 0.00 C ATOM 1734 C LYS A 113 2.011 -14.231 -9.028 1.00 0.00 C ATOM 1735 O LYS A 113 2.498 -15.154 -8.377 1.00 0.00 O ATOM 1736 CB LYS A 113 -0.418 -14.833 -9.578 1.00 0.00 C ATOM 1737 CG LYS A 113 -0.239 -14.766 -11.096 1.00 0.00 C ATOM 1738 CD LYS A 113 -0.950 -15.932 -11.784 1.00 0.00 C ATOM 1739 CE LYS A 113 -0.012 -17.132 -11.937 1.00 0.00 C ATOM 1740 NZ LYS A 113 -0.531 -18.294 -11.182 1.00 0.00 N ATOM 0 H LYS A 113 -0.271 -12.430 -10.168 1.00 0.00 H new ATOM 0 HA LYS A 113 0.297 -13.943 -7.809 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -0.233 -15.850 -9.231 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -1.449 -14.590 -9.319 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -0.635 -13.822 -11.471 1.00 0.00 H new ATOM 0 HG3 LYS A 113 0.823 -14.787 -11.342 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -1.826 -16.222 -11.204 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -1.307 -15.617 -12.765 1.00 0.00 H new ATOM 0 HE2 LYS A 113 0.088 -17.391 -12.991 1.00 0.00 H new ATOM 0 HE3 LYS A 113 0.983 -16.872 -11.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 0.117 -19.100 -11.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -0.604 -18.049 -10.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -1.471 -18.552 -11.544 1.00 0.00 H new ATOM 1754 N TRP A 114 2.682 -13.488 -9.895 1.00 0.00 N ATOM 1755 CA TRP A 114 4.094 -13.722 -10.146 1.00 0.00 C ATOM 1756 C TRP A 114 4.896 -12.779 -9.247 1.00 0.00 C ATOM 1757 O TRP A 114 6.037 -12.440 -9.558 1.00 0.00 O ATOM 1758 CB TRP A 114 4.422 -13.555 -11.631 1.00 0.00 C ATOM 1759 CG TRP A 114 3.487 -14.326 -12.565 1.00 0.00 C ATOM 1760 CD1 TRP A 114 2.363 -13.892 -13.150 1.00 0.00 C ATOM 1761 CD2 TRP A 114 3.643 -15.693 -13.001 1.00 0.00 C ATOM 1762 NE1 TRP A 114 1.785 -14.874 -13.928 1.00 0.00 N ATOM 1763 CE2 TRP A 114 2.588 -16.005 -13.834 1.00 0.00 C ATOM 1764 CE3 TRP A 114 4.643 -16.635 -12.701 1.00 0.00 C ATOM 1765 CZ2 TRP A 114 2.431 -17.259 -14.436 1.00 0.00 C ATOM 1766 CZ3 TRP A 114 4.471 -17.884 -13.311 1.00 0.00 C ATOM 1767 CH2 TRP A 114 3.415 -18.213 -14.152 1.00 0.00 C ATOM 0 H TRP A 114 2.274 -12.723 -10.433 1.00 0.00 H new ATOM 0 HA TRP A 114 4.364 -14.749 -9.902 1.00 0.00 H new ATOM 0 HB2 TRP A 114 4.380 -12.496 -11.885 1.00 0.00 H new ATOM 0 HB3 TRP A 114 5.446 -13.885 -11.806 1.00 0.00 H new ATOM 0 HD1 TRP A 114 1.960 -12.898 -13.028 1.00 0.00 H new ATOM 0 HE1 TRP A 114 0.927 -14.786 -14.472 1.00 0.00 H new ATOM 0 HE3 TRP A 114 5.477 -16.413 -12.052 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 1.596 -17.478 -15.085 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 5.211 -18.645 -13.114 1.00 0.00 H new ATOM 0 HH2 TRP A 114 3.354 -19.201 -14.585 1.00 0.00 H new ATOM 1778 N GLY A 115 4.269 -12.382 -8.150 1.00 0.00 N ATOM 1779 CA GLY A 115 4.910 -11.485 -7.204 1.00 0.00 C ATOM 1780 C GLY A 115 4.504 -11.821 -5.767 1.00 0.00 C ATOM 1781 O GLY A 115 3.376 -12.245 -5.521 1.00 0.00 O ATOM 0 H GLY A 115 3.323 -12.665 -7.895 1.00 0.00 H new ATOM 0 HA2 GLY A 115 5.993 -11.557 -7.306 1.00 0.00 H new ATOM 0 HA3 GLY A 115 4.636 -10.455 -7.432 1.00 0.00 H new ATOM 1785 N ARG A 116 5.445 -11.620 -4.858 1.00 0.00 N ATOM 1786 CA ARG A 116 5.200 -11.897 -3.452 1.00 0.00 C ATOM 1787 C ARG A 116 5.815 -10.801 -2.580 1.00 0.00 C ATOM 1788 O ARG A 116 6.718 -10.088 -3.017 1.00 0.00 O ATOM 1789 CB ARG A 116 5.785 -13.251 -3.047 1.00 0.00 C ATOM 1790 CG ARG A 116 7.287 -13.307 -3.335 1.00 0.00 C ATOM 1791 CD ARG A 116 8.030 -14.057 -2.228 1.00 0.00 C ATOM 1792 NE ARG A 116 8.828 -15.159 -2.810 1.00 0.00 N ATOM 1793 CZ ARG A 116 9.397 -16.136 -2.092 1.00 0.00 C ATOM 1794 NH1 ARG A 116 9.259 -16.155 -0.759 1.00 0.00 N ATOM 1795 NH2 ARG A 116 10.103 -17.095 -2.705 1.00 0.00 N ATOM 0 H ARG A 116 6.379 -11.268 -5.067 1.00 0.00 H new ATOM 0 HA ARG A 116 4.121 -11.922 -3.302 1.00 0.00 H new ATOM 0 HB2 ARG A 116 5.608 -13.425 -1.986 1.00 0.00 H new ATOM 0 HB3 ARG A 116 5.277 -14.048 -3.590 1.00 0.00 H new ATOM 0 HG2 ARG A 116 7.459 -13.800 -4.292 1.00 0.00 H new ATOM 0 HG3 ARG A 116 7.682 -12.295 -3.422 1.00 0.00 H new ATOM 0 HD2 ARG A 116 8.682 -13.371 -1.687 1.00 0.00 H new ATOM 0 HD3 ARG A 116 7.317 -14.455 -1.506 1.00 0.00 H new ATOM 0 HE ARG A 116 8.953 -15.176 -3.822 1.00 0.00 H new ATOM 0 HH11 ARG A 116 8.721 -15.426 -0.292 1.00 0.00 H new ATOM 0 HH12 ARG A 116 9.692 -16.899 -0.212 1.00 0.00 H new ATOM 0 HH21 ARG A 116 10.208 -17.082 -3.720 1.00 0.00 H new ATOM 0 HH22 ARG A 116 10.536 -17.839 -2.157 1.00 0.00 H new ATOM 1809 N ILE A 117 5.302 -10.700 -1.363 1.00 0.00 N ATOM 1810 CA ILE A 117 5.790 -9.702 -0.425 1.00 0.00 C ATOM 1811 C ILE A 117 7.121 -10.173 0.166 1.00 0.00 C ATOM 1812 O ILE A 117 7.404 -11.369 0.194 1.00 0.00 O ATOM 1813 CB ILE A 117 4.725 -9.391 0.628 1.00 0.00 C ATOM 1814 CG1 ILE A 117 3.420 -8.938 -0.029 1.00 0.00 C ATOM 1815 CG2 ILE A 117 5.241 -8.369 1.643 1.00 0.00 C ATOM 1816 CD1 ILE A 117 2.536 -8.187 0.968 1.00 0.00 C ATOM 0 H ILE A 117 4.553 -11.293 -1.004 1.00 0.00 H new ATOM 0 HA ILE A 117 5.983 -8.759 -0.937 1.00 0.00 H new ATOM 0 HB ILE A 117 4.508 -10.308 1.176 1.00 0.00 H new ATOM 0 HG12 ILE A 117 3.642 -8.295 -0.880 1.00 0.00 H new ATOM 0 HG13 ILE A 117 2.883 -9.804 -0.415 1.00 0.00 H new ATOM 0 HG21 ILE A 117 4.465 -8.165 2.381 1.00 0.00 H new ATOM 0 HG22 ILE A 117 6.123 -8.768 2.145 1.00 0.00 H new ATOM 0 HG23 ILE A 117 5.503 -7.445 1.128 1.00 0.00 H new ATOM 0 HD11 ILE A 117 1.615 -7.876 0.475 1.00 0.00 H new ATOM 0 HD12 ILE A 117 2.296 -8.841 1.806 1.00 0.00 H new ATOM 0 HD13 ILE A 117 3.066 -7.308 1.334 1.00 0.00 H new ATOM 1828 N GLU A 118 7.903 -9.206 0.624 1.00 0.00 N ATOM 1829 CA GLU A 118 9.197 -9.506 1.213 1.00 0.00 C ATOM 1830 C GLU A 118 9.089 -9.546 2.739 1.00 0.00 C ATOM 1831 O GLU A 118 9.362 -10.574 3.357 1.00 0.00 O ATOM 1832 CB GLU A 118 10.252 -8.493 0.764 1.00 0.00 C ATOM 1833 CG GLU A 118 11.657 -8.954 1.155 1.00 0.00 C ATOM 1834 CD GLU A 118 12.227 -9.917 0.112 1.00 0.00 C ATOM 1835 OE1 GLU A 118 11.855 -11.109 0.176 1.00 0.00 O ATOM 1836 OE2 GLU A 118 13.023 -9.440 -0.726 1.00 0.00 O ATOM 0 H GLU A 118 7.665 -8.214 0.599 1.00 0.00 H new ATOM 0 HA GLU A 118 9.514 -10.489 0.865 1.00 0.00 H new ATOM 0 HB2 GLU A 118 10.197 -8.360 -0.316 1.00 0.00 H new ATOM 0 HB3 GLU A 118 10.045 -7.523 1.216 1.00 0.00 H new ATOM 0 HG2 GLU A 118 12.313 -8.089 1.254 1.00 0.00 H new ATOM 0 HG3 GLU A 118 11.626 -9.443 2.128 1.00 0.00 H new ATOM 1843 N ALA A 119 8.691 -8.415 3.302 1.00 0.00 N ATOM 1844 CA ALA A 119 8.544 -8.308 4.743 1.00 0.00 C ATOM 1845 C ALA A 119 9.889 -7.920 5.362 1.00 0.00 C ATOM 1846 O ALA A 119 10.305 -8.499 6.364 1.00 0.00 O ATOM 1847 CB ALA A 119 8.004 -9.626 5.301 1.00 0.00 C ATOM 0 H ALA A 119 8.466 -7.565 2.786 1.00 0.00 H new ATOM 0 HA ALA A 119 7.827 -7.528 4.998 1.00 0.00 H new ATOM 0 HB1 ALA A 119 7.894 -9.545 6.382 1.00 0.00 H new ATOM 0 HB2 ALA A 119 7.034 -9.841 4.852 1.00 0.00 H new ATOM 0 HB3 ALA A 119 8.699 -10.432 5.066 1.00 0.00 H new ATOM 1853 N THR A 120 10.531 -6.944 4.738 1.00 0.00 N ATOM 1854 CA THR A 120 11.820 -6.473 5.214 1.00 0.00 C ATOM 1855 C THR A 120 11.870 -6.508 6.743 1.00 0.00 C ATOM 1856 O THR A 120 12.749 -7.141 7.324 1.00 0.00 O ATOM 1857 CB THR A 120 12.059 -5.078 4.631 1.00 0.00 C ATOM 1858 OG1 THR A 120 13.076 -4.524 5.461 1.00 0.00 O ATOM 1859 CG2 THR A 120 10.863 -4.146 4.834 1.00 0.00 C ATOM 0 H THR A 120 10.183 -6.466 3.907 1.00 0.00 H new ATOM 0 HA THR A 120 12.627 -7.125 4.878 1.00 0.00 H new ATOM 0 HB THR A 120 12.277 -5.162 3.566 1.00 0.00 H new ATOM 0 HG1 THR A 120 13.293 -3.620 5.152 1.00 0.00 H new ATOM 0 HG21 THR A 120 11.085 -3.170 4.402 1.00 0.00 H new ATOM 0 HG22 THR A 120 9.985 -4.568 4.345 1.00 0.00 H new ATOM 0 HG23 THR A 120 10.665 -4.035 5.900 1.00 0.00 H new ATOM 1867 N GLY A 121 10.914 -5.820 7.350 1.00 0.00 N ATOM 1868 CA GLY A 121 10.837 -5.765 8.800 1.00 0.00 C ATOM 1869 C GLY A 121 10.353 -4.393 9.271 1.00 0.00 C ATOM 1870 O GLY A 121 9.178 -4.221 9.591 1.00 0.00 O ATOM 0 H GLY A 121 10.186 -5.296 6.864 1.00 0.00 H new ATOM 0 HA2 GLY A 121 10.159 -6.538 9.161 1.00 0.00 H new ATOM 0 HA3 GLY A 121 11.817 -5.976 9.228 1.00 0.00 H new ATOM 1874 N ALA A 122 11.284 -3.450 9.301 1.00 0.00 N ATOM 1875 CA ALA A 122 10.968 -2.098 9.728 1.00 0.00 C ATOM 1876 C ALA A 122 11.566 -1.101 8.734 1.00 0.00 C ATOM 1877 O ALA A 122 12.537 -1.411 8.047 1.00 0.00 O ATOM 1878 CB ALA A 122 11.480 -1.880 11.153 1.00 0.00 C ATOM 0 H ALA A 122 12.258 -3.596 9.036 1.00 0.00 H new ATOM 0 HA ALA A 122 9.889 -1.942 9.742 1.00 0.00 H new ATOM 0 HB1 ALA A 122 11.243 -0.866 11.474 1.00 0.00 H new ATOM 0 HB2 ALA A 122 11.002 -2.594 11.824 1.00 0.00 H new ATOM 0 HB3 ALA A 122 12.560 -2.025 11.178 1.00 0.00 H new ATOM 1884 N ALA A 123 10.960 0.077 8.690 1.00 0.00 N ATOM 1885 CA ALA A 123 11.421 1.122 7.792 1.00 0.00 C ATOM 1886 C ALA A 123 12.268 2.126 8.577 1.00 0.00 C ATOM 1887 O ALA A 123 12.042 2.338 9.767 1.00 0.00 O ATOM 1888 CB ALA A 123 10.218 1.780 7.114 1.00 0.00 C ATOM 0 H ALA A 123 10.154 0.330 9.262 1.00 0.00 H new ATOM 0 HA ALA A 123 12.050 0.703 7.006 1.00 0.00 H new ATOM 0 HB1 ALA A 123 10.564 2.564 6.440 1.00 0.00 H new ATOM 0 HB2 ALA A 123 9.666 1.031 6.546 1.00 0.00 H new ATOM 0 HB3 ALA A 123 9.566 2.214 7.872 1.00 0.00 H new ATOM 1894 N SER A 124 13.227 2.717 7.878 1.00 0.00 N ATOM 1895 CA SER A 124 14.109 3.693 8.495 1.00 0.00 C ATOM 1896 C SER A 124 13.809 5.089 7.946 1.00 0.00 C ATOM 1897 O SER A 124 14.558 6.032 8.195 1.00 0.00 O ATOM 1898 CB SER A 124 15.578 3.335 8.258 1.00 0.00 C ATOM 1899 OG SER A 124 16.389 3.635 9.391 1.00 0.00 O ATOM 0 H SER A 124 13.412 2.539 6.891 1.00 0.00 H new ATOM 0 HA SER A 124 13.929 3.685 9.570 1.00 0.00 H new ATOM 0 HB2 SER A 124 15.660 2.273 8.024 1.00 0.00 H new ATOM 0 HB3 SER A 124 15.949 3.882 7.391 1.00 0.00 H new ATOM 0 HG SER A 124 17.319 3.391 9.201 1.00 0.00 H new ATOM 1905 N PHE A 125 12.710 5.178 7.210 1.00 0.00 N ATOM 1906 CA PHE A 125 12.302 6.443 6.625 1.00 0.00 C ATOM 1907 C PHE A 125 10.883 6.816 7.060 1.00 0.00 C ATOM 1908 O PHE A 125 10.089 5.945 7.413 1.00 0.00 O ATOM 1909 CB PHE A 125 12.326 6.262 5.106 1.00 0.00 C ATOM 1910 CG PHE A 125 11.530 5.052 4.611 1.00 0.00 C ATOM 1911 CD1 PHE A 125 10.179 5.017 4.764 1.00 0.00 C ATOM 1912 CD2 PHE A 125 12.174 4.011 4.018 1.00 0.00 C ATOM 1913 CE1 PHE A 125 9.441 3.894 4.305 1.00 0.00 C ATOM 1914 CE2 PHE A 125 11.436 2.888 3.559 1.00 0.00 C ATOM 1915 CZ PHE A 125 10.085 2.854 3.712 1.00 0.00 C ATOM 0 H PHE A 125 12.090 4.394 7.006 1.00 0.00 H new ATOM 0 HA PHE A 125 12.974 7.237 6.951 1.00 0.00 H new ATOM 0 HB2 PHE A 125 11.929 7.162 4.637 1.00 0.00 H new ATOM 0 HB3 PHE A 125 13.361 6.162 4.779 1.00 0.00 H new ATOM 0 HD1 PHE A 125 9.667 5.843 5.235 1.00 0.00 H new ATOM 0 HD2 PHE A 125 13.247 4.039 3.896 1.00 0.00 H new ATOM 0 HE1 PHE A 125 8.368 3.866 4.427 1.00 0.00 H new ATOM 0 HE2 PHE A 125 11.947 2.061 3.089 1.00 0.00 H new ATOM 0 HZ PHE A 125 9.524 2.000 3.362 1.00 0.00 H new ATOM 1925 N THR A 126 10.607 8.111 7.020 1.00 0.00 N ATOM 1926 CA THR A 126 9.298 8.609 7.405 1.00 0.00 C ATOM 1927 C THR A 126 8.434 8.853 6.166 1.00 0.00 C ATOM 1928 O THR A 126 8.701 9.767 5.389 1.00 0.00 O ATOM 1929 CB THR A 126 9.501 9.862 8.260 1.00 0.00 C ATOM 1930 OG1 THR A 126 10.316 9.416 9.341 1.00 0.00 O ATOM 1931 CG2 THR A 126 8.209 10.328 8.934 1.00 0.00 C ATOM 0 H THR A 126 11.268 8.831 6.727 1.00 0.00 H new ATOM 0 HA THR A 126 8.756 7.875 8.001 1.00 0.00 H new ATOM 0 HB THR A 126 9.895 10.666 7.638 1.00 0.00 H new ATOM 0 HG1 THR A 126 10.498 10.166 9.944 1.00 0.00 H new ATOM 0 HG21 THR A 126 8.410 11.220 9.528 1.00 0.00 H new ATOM 0 HG22 THR A 126 7.464 10.559 8.172 1.00 0.00 H new ATOM 0 HG23 THR A 126 7.831 9.538 9.583 1.00 0.00 H new ATOM 1939 N VAL A 127 7.415 8.019 6.022 1.00 0.00 N ATOM 1940 CA VAL A 127 6.510 8.132 4.891 1.00 0.00 C ATOM 1941 C VAL A 127 5.946 9.553 4.834 1.00 0.00 C ATOM 1942 O VAL A 127 5.630 10.141 5.867 1.00 0.00 O ATOM 1943 CB VAL A 127 5.422 7.060 4.982 1.00 0.00 C ATOM 1944 CG1 VAL A 127 4.300 7.331 3.977 1.00 0.00 C ATOM 1945 CG2 VAL A 127 6.011 5.662 4.782 1.00 0.00 C ATOM 0 H VAL A 127 7.196 7.262 6.670 1.00 0.00 H new ATOM 0 HA VAL A 127 7.043 7.956 3.957 1.00 0.00 H new ATOM 0 HB VAL A 127 4.993 7.103 5.983 1.00 0.00 H new ATOM 0 HG11 VAL A 127 3.540 6.555 4.062 1.00 0.00 H new ATOM 0 HG12 VAL A 127 3.852 8.302 4.185 1.00 0.00 H new ATOM 0 HG13 VAL A 127 4.708 7.329 2.966 1.00 0.00 H new ATOM 0 HG21 VAL A 127 5.216 4.919 4.852 1.00 0.00 H new ATOM 0 HG22 VAL A 127 6.479 5.602 3.800 1.00 0.00 H new ATOM 0 HG23 VAL A 127 6.757 5.468 5.552 1.00 0.00 H new ATOM 1955 N LYS A 128 5.837 10.064 3.617 1.00 0.00 N ATOM 1956 CA LYS A 128 5.317 11.405 3.412 1.00 0.00 C ATOM 1957 C LYS A 128 3.800 11.336 3.225 1.00 0.00 C ATOM 1958 O LYS A 128 3.314 11.235 2.100 1.00 0.00 O ATOM 1959 CB LYS A 128 6.048 12.093 2.258 1.00 0.00 C ATOM 1960 CG LYS A 128 5.259 13.303 1.752 1.00 0.00 C ATOM 1961 CD LYS A 128 6.177 14.510 1.548 1.00 0.00 C ATOM 1962 CE LYS A 128 6.416 14.772 0.060 1.00 0.00 C ATOM 1963 NZ LYS A 128 7.476 15.788 -0.123 1.00 0.00 N ATOM 0 H LYS A 128 6.100 9.573 2.762 1.00 0.00 H new ATOM 0 HA LYS A 128 5.503 12.024 4.290 1.00 0.00 H new ATOM 0 HB2 LYS A 128 7.037 12.411 2.588 1.00 0.00 H new ATOM 0 HB3 LYS A 128 6.196 11.385 1.443 1.00 0.00 H new ATOM 0 HG2 LYS A 128 4.766 13.053 0.812 1.00 0.00 H new ATOM 0 HG3 LYS A 128 4.475 13.555 2.466 1.00 0.00 H new ATOM 0 HD2 LYS A 128 5.732 15.392 2.009 1.00 0.00 H new ATOM 0 HD3 LYS A 128 7.130 14.335 2.048 1.00 0.00 H new ATOM 0 HE2 LYS A 128 6.702 13.845 -0.437 1.00 0.00 H new ATOM 0 HE3 LYS A 128 5.493 15.113 -0.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 7.626 15.954 -1.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 7.188 16.676 0.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 8.360 15.448 0.306 1.00 0.00 H new ATOM 1977 N GLU A 129 3.094 11.394 4.345 1.00 0.00 N ATOM 1978 CA GLU A 129 1.643 11.339 4.319 1.00 0.00 C ATOM 1979 C GLU A 129 1.073 12.640 3.750 1.00 0.00 C ATOM 1980 O GLU A 129 0.379 13.376 4.450 1.00 0.00 O ATOM 1981 CB GLU A 129 1.079 11.057 5.713 1.00 0.00 C ATOM 1982 CG GLU A 129 0.646 9.595 5.844 1.00 0.00 C ATOM 1983 CD GLU A 129 -0.721 9.487 6.522 1.00 0.00 C ATOM 1984 OE1 GLU A 129 -1.588 10.324 6.188 1.00 0.00 O ATOM 1985 OE2 GLU A 129 -0.868 8.571 7.359 1.00 0.00 O ATOM 0 H GLU A 129 3.501 11.479 5.277 1.00 0.00 H new ATOM 0 HA GLU A 129 1.342 10.518 3.669 1.00 0.00 H new ATOM 0 HB2 GLU A 129 1.832 11.286 6.467 1.00 0.00 H new ATOM 0 HB3 GLU A 129 0.228 11.711 5.904 1.00 0.00 H new ATOM 0 HG2 GLU A 129 0.604 9.135 4.857 1.00 0.00 H new ATOM 0 HG3 GLU A 129 1.387 9.043 6.422 1.00 0.00 H new ATOM 1992 N ASP A 130 1.387 12.884 2.486 1.00 0.00 N ATOM 1993 CA ASP A 130 0.915 14.083 1.815 1.00 0.00 C ATOM 1994 C ASP A 130 0.989 13.878 0.301 1.00 0.00 C ATOM 1995 O ASP A 130 0.055 14.221 -0.422 1.00 0.00 O ATOM 1996 CB ASP A 130 1.783 15.291 2.172 1.00 0.00 C ATOM 1997 CG ASP A 130 1.013 16.591 2.416 1.00 0.00 C ATOM 1998 OD1 ASP A 130 0.022 16.530 3.176 1.00 0.00 O ATOM 1999 OD2 ASP A 130 1.432 17.616 1.837 1.00 0.00 O ATOM 0 H ASP A 130 1.963 12.271 1.909 1.00 0.00 H new ATOM 0 HA ASP A 130 -0.110 14.268 2.136 1.00 0.00 H new ATOM 0 HB2 ASP A 130 2.359 15.054 3.067 1.00 0.00 H new ATOM 0 HB3 ASP A 130 2.499 15.456 1.367 1.00 0.00 H new ATOM 2004 N ASN A 131 2.109 13.319 -0.134 1.00 0.00 N ATOM 2005 CA ASN A 131 2.317 13.064 -1.550 1.00 0.00 C ATOM 2006 C ASN A 131 1.658 11.736 -1.927 1.00 0.00 C ATOM 2007 O ASN A 131 2.301 10.862 -2.506 1.00 0.00 O ATOM 2008 CB ASN A 131 3.808 12.961 -1.877 1.00 0.00 C ATOM 2009 CG ASN A 131 4.044 13.024 -3.387 1.00 0.00 C ATOM 2010 OD1 ASN A 131 3.578 13.915 -4.078 1.00 0.00 O ATOM 2011 ND2 ASN A 131 4.790 12.030 -3.860 1.00 0.00 N ATOM 0 H ASN A 131 2.882 13.036 0.469 1.00 0.00 H new ATOM 0 HA ASN A 131 1.881 13.892 -2.109 1.00 0.00 H new ATOM 0 HB2 ASN A 131 4.348 13.771 -1.387 1.00 0.00 H new ATOM 0 HB3 ASN A 131 4.207 12.027 -1.482 1.00 0.00 H new ATOM 0 HD21 ASN A 131 5.003 11.982 -4.856 1.00 0.00 H new ATOM 0 HD22 ASN A 131 5.149 11.316 -3.226 1.00 0.00 H new ATOM 2018 N ASN A 132 0.383 11.627 -1.584 1.00 0.00 N ATOM 2019 CA ASN A 132 -0.371 10.421 -1.879 1.00 0.00 C ATOM 2020 C ASN A 132 -0.593 10.320 -3.389 1.00 0.00 C ATOM 2021 O ASN A 132 -0.952 11.305 -4.034 1.00 0.00 O ATOM 2022 CB ASN A 132 -1.742 10.447 -1.200 1.00 0.00 C ATOM 2023 CG ASN A 132 -2.289 9.031 -1.014 1.00 0.00 C ATOM 2024 OD1 ASN A 132 -2.169 8.173 -1.873 1.00 0.00 O ATOM 2025 ND2 ASN A 132 -2.895 8.834 0.154 1.00 0.00 N ATOM 0 H ASN A 132 -0.147 12.355 -1.104 1.00 0.00 H new ATOM 0 HA ASN A 132 0.198 9.569 -1.508 1.00 0.00 H new ATOM 0 HB2 ASN A 132 -1.663 10.940 -0.231 1.00 0.00 H new ATOM 0 HB3 ASN A 132 -2.438 11.033 -1.800 1.00 0.00 H new ATOM 0 HD21 ASN A 132 -3.294 7.921 0.374 1.00 0.00 H new ATOM 0 HD22 ASN A 132 -2.961 9.596 0.829 1.00 0.00 H new ATOM 2032 N LEU A 133 -0.372 9.122 -3.910 1.00 0.00 N ATOM 2033 CA LEU A 133 -0.544 8.881 -5.332 1.00 0.00 C ATOM 2034 C LEU A 133 -1.934 8.292 -5.581 1.00 0.00 C ATOM 2035 O LEU A 133 -2.422 8.299 -6.710 1.00 0.00 O ATOM 2036 CB LEU A 133 0.596 8.013 -5.870 1.00 0.00 C ATOM 2037 CG LEU A 133 1.993 8.333 -5.333 1.00 0.00 C ATOM 2038 CD1 LEU A 133 3.073 7.651 -6.174 1.00 0.00 C ATOM 2039 CD2 LEU A 133 2.211 9.844 -5.236 1.00 0.00 C ATOM 0 H LEU A 133 -0.075 8.308 -3.372 1.00 0.00 H new ATOM 0 HA LEU A 133 -0.490 9.818 -5.886 1.00 0.00 H new ATOM 0 HB2 LEU A 133 0.371 6.971 -5.643 1.00 0.00 H new ATOM 0 HB3 LEU A 133 0.616 8.106 -6.956 1.00 0.00 H new ATOM 0 HG LEU A 133 2.070 7.932 -4.323 1.00 0.00 H new ATOM 0 HD11 LEU A 133 4.056 7.895 -5.771 1.00 0.00 H new ATOM 0 HD12 LEU A 133 2.927 6.571 -6.147 1.00 0.00 H new ATOM 0 HD13 LEU A 133 3.006 8.000 -7.204 1.00 0.00 H new ATOM 0 HD21 LEU A 133 3.211 10.043 -4.852 1.00 0.00 H new ATOM 0 HD22 LEU A 133 2.106 10.291 -6.225 1.00 0.00 H new ATOM 0 HD23 LEU A 133 1.471 10.276 -4.562 1.00 0.00 H new ATOM 2051 N SER A 134 -2.533 7.797 -4.508 1.00 0.00 N ATOM 2052 CA SER A 134 -3.857 7.206 -4.595 1.00 0.00 C ATOM 2053 C SER A 134 -4.920 8.306 -4.630 1.00 0.00 C ATOM 2054 O SER A 134 -6.111 8.019 -4.739 1.00 0.00 O ATOM 2055 CB SER A 134 -4.115 6.256 -3.424 1.00 0.00 C ATOM 2056 OG SER A 134 -5.295 6.603 -2.705 1.00 0.00 O ATOM 0 H SER A 134 -2.125 7.793 -3.573 1.00 0.00 H new ATOM 0 HA SER A 134 -3.912 6.626 -5.516 1.00 0.00 H new ATOM 0 HB2 SER A 134 -4.205 5.236 -3.798 1.00 0.00 H new ATOM 0 HB3 SER A 134 -3.260 6.273 -2.748 1.00 0.00 H new ATOM 0 HG SER A 134 -5.094 6.644 -1.747 1.00 0.00 H new