USER MOD reduce.3.24.130724 H: found=0, std=0, add=608, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 610 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 73 THR OG1 : rot -60:sc= 1.24 USER MOD Set 1.2: A 74 MET CE :methyl 146:sc= -1.36 (180deg=-2.87) USER MOD Set 2.1: A 47 GLN : amide:sc= -4.16! C(o=-4.9!,f=-4.2!) USER MOD Set 2.2: A 85 LYS NZ :NH3+ 170:sc= 0 (180deg=0) USER MOD Set 2.3: A 94 MET CE :methyl -151:sc= -0.744 (180deg=-1.25) USER MOD Set 3.1: A 26 GLN : amide:sc= -0.146 K(o=-0.29,f=1.1) USER MOD Set 3.2: A 69 GLN : amide:sc= -0.146 K(o=-0.29,f=-2.2) USER MOD Single : A 15 THR OG1 : rot 29:sc= 0.0803 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -0.0652 X(o=-0.065,f=0) USER MOD Single : A 27 HIS : no HD1:sc= -0.0263 X(o=-0.026,f=-0.13) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 140:sc= -1.08 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= -0.648 K(o=-0.65,f=-2.7!) USER MOD Single : A 37 GLN : amide:sc= -0.0513 K(o=-0.051,f=-0.77) USER MOD Single : A 38 GLN : amide:sc= -0.0326 K(o=-0.033,f=-0.67) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -163:sc= -0.0135 (180deg=-0.203) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 HIS : no HD1:sc= -0.0992 K(o=-0.099,f=-0.99) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 26:sc= 0.266 USER MOD Single : A 68 ASN : amide:sc=-0.00636 K(o=-0.0064,f=-1.1) USER MOD Single : A 72 GLN : amide:sc= -0.0214 K(o=-0.021,f=-0.82) USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.188 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 CYS SG : rot 144:sc= -0.35! USER MOD Single : A 99 HIS : no HD1:sc= -0.722 K(o=-0.72,f=-1.9!) USER MOD ----------------------------------------------------------------- ATOM 168 N THR A 15 -8.627 8.046 11.285 1.00 0.00 N ATOM 169 CA THR A 15 -7.570 7.735 10.331 1.00 0.00 C ATOM 170 C THR A 15 -6.943 6.378 10.628 1.00 0.00 C ATOM 171 O THR A 15 -6.623 6.068 11.776 1.00 0.00 O ATOM 172 CB THR A 15 -6.468 8.810 10.342 1.00 0.00 C ATOM 173 OG1 THR A 15 -7.035 10.096 10.065 1.00 0.00 O ATOM 174 CG2 THR A 15 -5.391 8.493 9.315 1.00 0.00 C ATOM 0 HA THR A 15 -8.033 7.710 9.344 1.00 0.00 H new ATOM 0 HB THR A 15 -6.012 8.820 11.332 1.00 0.00 H new ATOM 0 HG1 THR A 15 -7.963 10.119 10.380 1.00 0.00 H new ATOM 0 HG21 THR A 15 -4.624 9.267 9.342 1.00 0.00 H new ATOM 0 HG22 THR A 15 -4.941 7.527 9.546 1.00 0.00 H new ATOM 0 HG23 THR A 15 -5.836 8.457 8.321 1.00 0.00 H new ATOM 182 N LYS A 16 -6.769 5.570 9.587 1.00 0.00 N ATOM 183 CA LYS A 16 -6.178 4.246 9.736 1.00 0.00 C ATOM 184 C LYS A 16 -4.680 4.283 9.449 1.00 0.00 C ATOM 185 O LYS A 16 -4.200 5.156 8.726 1.00 0.00 O ATOM 186 CB LYS A 16 -6.863 3.250 8.797 1.00 0.00 C ATOM 187 CG LYS A 16 -8.258 2.851 9.248 1.00 0.00 C ATOM 188 CD LYS A 16 -8.212 1.957 10.476 1.00 0.00 C ATOM 189 CE LYS A 16 -9.604 1.705 11.034 1.00 0.00 C ATOM 190 NZ LYS A 16 -9.561 1.267 12.457 1.00 0.00 N ATOM 0 H LYS A 16 -7.029 5.810 8.630 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.325 3.924 10.767 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -6.923 3.686 7.800 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.246 2.355 8.717 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -8.840 3.746 9.470 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -8.769 2.331 8.437 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -7.745 1.007 10.218 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -7.590 2.421 11.242 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -10.198 2.615 10.952 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -10.103 0.944 10.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -10.529 1.106 12.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -9.016 0.385 12.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -9.108 2.004 13.034 1.00 0.00 H new ATOM 204 N GLU A 17 -3.949 3.330 10.018 1.00 0.00 N ATOM 205 CA GLU A 17 -2.506 3.255 9.821 1.00 0.00 C ATOM 206 C GLU A 17 -2.052 1.806 9.671 1.00 0.00 C ATOM 207 O GLU A 17 -2.636 0.896 10.260 1.00 0.00 O ATOM 208 CB GLU A 17 -1.774 3.911 10.994 1.00 0.00 C ATOM 209 CG GLU A 17 -2.182 5.355 11.235 1.00 0.00 C ATOM 210 CD GLU A 17 -1.989 5.782 12.677 1.00 0.00 C ATOM 211 OE1 GLU A 17 -0.854 6.157 13.038 1.00 0.00 O ATOM 212 OE2 GLU A 17 -2.973 5.742 13.445 1.00 0.00 O ATOM 0 H GLU A 17 -4.332 2.600 10.619 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.262 3.791 8.904 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.963 3.333 11.899 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.700 3.872 10.809 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.598 6.007 10.586 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -3.228 5.484 10.959 1.00 0.00 H new ATOM 219 N LEU A 18 -1.007 1.599 8.877 1.00 0.00 N ATOM 220 CA LEU A 18 -0.473 0.261 8.648 1.00 0.00 C ATOM 221 C LEU A 18 1.052 0.277 8.640 1.00 0.00 C ATOM 222 O LEU A 18 1.672 1.046 7.905 1.00 0.00 O ATOM 223 CB LEU A 18 -0.995 -0.297 7.322 1.00 0.00 C ATOM 224 CG LEU A 18 -0.994 -1.820 7.189 1.00 0.00 C ATOM 225 CD1 LEU A 18 -2.173 -2.423 7.938 1.00 0.00 C ATOM 226 CD2 LEU A 18 -1.028 -2.227 5.723 1.00 0.00 C ATOM 0 H LEU A 18 -0.513 2.341 8.381 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.807 -0.381 9.463 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.015 0.060 7.177 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.394 0.119 6.514 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.074 -2.203 7.632 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -2.155 -3.508 7.832 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.106 -2.161 8.994 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.104 -2.033 7.526 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.027 -3.314 5.647 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.930 -1.832 5.256 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.151 -1.827 5.214 1.00 0.00 H new ATOM 238 N VAL A 19 1.651 -0.579 9.462 1.00 0.00 N ATOM 239 CA VAL A 19 3.104 -0.667 9.548 1.00 0.00 C ATOM 240 C VAL A 19 3.585 -2.091 9.292 1.00 0.00 C ATOM 241 O VAL A 19 3.024 -3.051 9.820 1.00 0.00 O ATOM 242 CB VAL A 19 3.614 -0.204 10.925 1.00 0.00 C ATOM 243 CG1 VAL A 19 5.134 -0.232 10.970 1.00 0.00 C ATOM 244 CG2 VAL A 19 3.089 1.187 11.247 1.00 0.00 C ATOM 0 H VAL A 19 1.152 -1.221 10.078 1.00 0.00 H new ATOM 0 HA VAL A 19 3.507 -0.007 8.779 1.00 0.00 H new ATOM 0 HB VAL A 19 3.240 -0.894 11.682 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.475 0.099 11.951 1.00 0.00 H new ATOM 0 HG12 VAL A 19 5.485 -1.248 10.787 1.00 0.00 H new ATOM 0 HG13 VAL A 19 5.533 0.433 10.204 1.00 0.00 H new ATOM 0 HG21 VAL A 19 3.459 1.499 12.224 1.00 0.00 H new ATOM 0 HG22 VAL A 19 3.432 1.890 10.488 1.00 0.00 H new ATOM 0 HG23 VAL A 19 1.999 1.170 11.260 1.00 0.00 H new ATOM 254 N PHE A 20 4.628 -2.220 8.479 1.00 0.00 N ATOM 255 CA PHE A 20 5.186 -3.527 8.152 1.00 0.00 C ATOM 256 C PHE A 20 6.529 -3.384 7.442 1.00 0.00 C ATOM 257 O PHE A 20 6.729 -2.464 6.649 1.00 0.00 O ATOM 258 CB PHE A 20 4.213 -4.315 7.273 1.00 0.00 C ATOM 259 CG PHE A 20 3.855 -3.611 5.995 1.00 0.00 C ATOM 260 CD1 PHE A 20 4.630 -3.776 4.858 1.00 0.00 C ATOM 261 CD2 PHE A 20 2.745 -2.785 5.931 1.00 0.00 C ATOM 262 CE1 PHE A 20 4.304 -3.130 3.680 1.00 0.00 C ATOM 263 CE2 PHE A 20 2.414 -2.137 4.756 1.00 0.00 C ATOM 264 CZ PHE A 20 3.195 -2.309 3.630 1.00 0.00 C ATOM 0 H PHE A 20 5.104 -1.435 8.034 1.00 0.00 H new ATOM 0 HA PHE A 20 5.344 -4.070 9.084 1.00 0.00 H new ATOM 0 HB2 PHE A 20 4.654 -5.283 7.034 1.00 0.00 H new ATOM 0 HB3 PHE A 20 3.302 -4.511 7.838 1.00 0.00 H new ATOM 0 HD1 PHE A 20 5.499 -4.417 4.893 1.00 0.00 H new ATOM 0 HD2 PHE A 20 2.131 -2.646 6.809 1.00 0.00 H new ATOM 0 HE1 PHE A 20 4.916 -3.267 2.801 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.545 -1.497 4.718 1.00 0.00 H new ATOM 0 HZ PHE A 20 2.939 -1.802 2.712 1.00 0.00 H new ATOM 274 N SER A 21 7.446 -4.301 7.733 1.00 0.00 N ATOM 275 CA SER A 21 8.772 -4.275 7.127 1.00 0.00 C ATOM 276 C SER A 21 8.698 -4.625 5.643 1.00 0.00 C ATOM 277 O SER A 21 7.889 -5.455 5.230 1.00 0.00 O ATOM 278 CB SER A 21 9.704 -5.251 7.846 1.00 0.00 C ATOM 279 OG SER A 21 9.464 -6.585 7.433 1.00 0.00 O ATOM 0 H SER A 21 7.295 -5.071 8.385 1.00 0.00 H new ATOM 0 HA SER A 21 9.169 -3.265 7.226 1.00 0.00 H new ATOM 0 HB2 SER A 21 10.741 -4.985 7.642 1.00 0.00 H new ATOM 0 HB3 SER A 21 9.560 -5.169 8.923 1.00 0.00 H new ATOM 0 HG SER A 21 10.074 -7.189 7.906 1.00 0.00 H new ATOM 285 N SER A 22 9.548 -3.984 4.847 1.00 0.00 N ATOM 286 CA SER A 22 9.577 -4.223 3.409 1.00 0.00 C ATOM 287 C SER A 22 9.934 -5.676 3.108 1.00 0.00 C ATOM 288 O SER A 22 9.564 -6.214 2.065 1.00 0.00 O ATOM 289 CB SER A 22 10.582 -3.288 2.735 1.00 0.00 C ATOM 290 OG SER A 22 11.914 -3.657 3.053 1.00 0.00 O ATOM 0 H SER A 22 10.226 -3.295 5.174 1.00 0.00 H new ATOM 0 HA SER A 22 8.582 -4.021 3.011 1.00 0.00 H new ATOM 0 HB2 SER A 22 10.442 -3.316 1.654 1.00 0.00 H new ATOM 0 HB3 SER A 22 10.399 -2.262 3.054 1.00 0.00 H new ATOM 0 HG SER A 22 12.538 -3.045 2.609 1.00 0.00 H new ATOM 296 N ASN A 23 10.657 -6.304 4.029 1.00 0.00 N ATOM 297 CA ASN A 23 11.066 -7.694 3.862 1.00 0.00 C ATOM 298 C ASN A 23 9.876 -8.569 3.482 1.00 0.00 C ATOM 299 O ASN A 23 10.031 -9.581 2.797 1.00 0.00 O ATOM 300 CB ASN A 23 11.707 -8.216 5.150 1.00 0.00 C ATOM 301 CG ASN A 23 12.302 -9.601 4.979 1.00 0.00 C ATOM 302 OD1 ASN A 23 13.474 -9.747 4.631 1.00 0.00 O ATOM 303 ND2 ASN A 23 11.494 -10.626 5.223 1.00 0.00 N ATOM 0 H ASN A 23 10.972 -5.873 4.898 1.00 0.00 H new ATOM 0 HA ASN A 23 11.798 -7.738 3.056 1.00 0.00 H new ATOM 0 HB2 ASN A 23 12.487 -7.525 5.470 1.00 0.00 H new ATOM 0 HB3 ASN A 23 10.958 -8.240 5.942 1.00 0.00 H new ATOM 0 HD21 ASN A 23 11.838 -11.581 5.124 1.00 0.00 H new ATOM 0 HD22 ASN A 23 10.529 -10.458 5.509 1.00 0.00 H new ATOM 310 N ILE A 24 8.690 -8.173 3.930 1.00 0.00 N ATOM 311 CA ILE A 24 7.474 -8.920 3.635 1.00 0.00 C ATOM 312 C ILE A 24 7.525 -9.525 2.236 1.00 0.00 C ATOM 313 O ILE A 24 7.985 -8.887 1.290 1.00 0.00 O ATOM 314 CB ILE A 24 6.223 -8.029 3.751 1.00 0.00 C ATOM 315 CG1 ILE A 24 4.955 -8.864 3.559 1.00 0.00 C ATOM 316 CG2 ILE A 24 6.281 -6.901 2.732 1.00 0.00 C ATOM 317 CD1 ILE A 24 3.694 -8.159 4.007 1.00 0.00 C ATOM 0 H ILE A 24 8.545 -7.339 4.499 1.00 0.00 H new ATOM 0 HA ILE A 24 7.410 -9.720 4.372 1.00 0.00 H new ATOM 0 HB ILE A 24 6.198 -7.591 4.749 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.859 -9.128 2.506 1.00 0.00 H new ATOM 0 HG13 ILE A 24 5.057 -9.797 4.113 1.00 0.00 H new ATOM 0 HG21 ILE A 24 5.390 -6.280 2.826 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.168 -6.293 2.912 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.326 -7.321 1.727 1.00 0.00 H new ATOM 0 HD11 ILE A 24 2.835 -8.809 3.842 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.769 -7.919 5.068 1.00 0.00 H new ATOM 0 HD13 ILE A 24 3.568 -7.240 3.435 1.00 0.00 H new ATOM 329 N GLY A 25 7.049 -10.760 2.113 1.00 0.00 N ATOM 330 CA GLY A 25 7.048 -11.430 0.826 1.00 0.00 C ATOM 331 C GLY A 25 5.829 -11.086 -0.006 1.00 0.00 C ATOM 332 O GLY A 25 4.963 -10.331 0.435 1.00 0.00 O ATOM 0 H GLY A 25 6.664 -11.309 2.882 1.00 0.00 H new ATOM 0 HA2 GLY A 25 7.948 -11.156 0.276 1.00 0.00 H new ATOM 0 HA3 GLY A 25 7.086 -12.508 0.981 1.00 0.00 H new ATOM 336 N GLN A 26 5.762 -11.640 -1.212 1.00 0.00 N ATOM 337 CA GLN A 26 4.640 -11.385 -2.108 1.00 0.00 C ATOM 338 C GLN A 26 3.366 -12.040 -1.586 1.00 0.00 C ATOM 339 O GLN A 26 2.302 -11.421 -1.561 1.00 0.00 O ATOM 340 CB GLN A 26 4.955 -11.902 -3.513 1.00 0.00 C ATOM 341 CG GLN A 26 3.957 -11.448 -4.566 1.00 0.00 C ATOM 342 CD GLN A 26 4.045 -9.961 -4.849 1.00 0.00 C ATOM 343 OE1 GLN A 26 4.817 -9.524 -5.703 1.00 0.00 O ATOM 344 NE2 GLN A 26 3.251 -9.174 -4.133 1.00 0.00 N ATOM 0 H GLN A 26 6.471 -12.268 -1.591 1.00 0.00 H new ATOM 0 HA GLN A 26 4.480 -10.308 -2.152 1.00 0.00 H new ATOM 0 HB2 GLN A 26 5.951 -11.566 -3.800 1.00 0.00 H new ATOM 0 HB3 GLN A 26 4.979 -12.992 -3.493 1.00 0.00 H new ATOM 0 HG2 GLN A 26 4.131 -12.001 -5.489 1.00 0.00 H new ATOM 0 HG3 GLN A 26 2.948 -11.692 -4.234 1.00 0.00 H new ATOM 0 HE21 GLN A 26 2.626 -9.579 -3.435 1.00 0.00 H new ATOM 0 HE22 GLN A 26 3.266 -8.165 -4.281 1.00 0.00 H new ATOM 353 N HIS A 27 3.481 -13.297 -1.168 1.00 0.00 N ATOM 354 CA HIS A 27 2.338 -14.037 -0.645 1.00 0.00 C ATOM 355 C HIS A 27 1.698 -13.293 0.523 1.00 0.00 C ATOM 356 O HIS A 27 0.476 -13.159 0.591 1.00 0.00 O ATOM 357 CB HIS A 27 2.769 -15.435 -0.201 1.00 0.00 C ATOM 358 CG HIS A 27 3.014 -16.377 -1.339 1.00 0.00 C ATOM 359 ND1 HIS A 27 2.121 -16.555 -2.374 1.00 0.00 N ATOM 360 CD2 HIS A 27 4.061 -17.193 -1.602 1.00 0.00 C ATOM 361 CE1 HIS A 27 2.607 -17.442 -3.224 1.00 0.00 C ATOM 362 NE2 HIS A 27 3.784 -17.844 -2.779 1.00 0.00 N ATOM 0 H HIS A 27 4.354 -13.824 -1.181 1.00 0.00 H new ATOM 0 HA HIS A 27 1.600 -14.129 -1.442 1.00 0.00 H new ATOM 0 HB2 HIS A 27 3.678 -15.354 0.394 1.00 0.00 H new ATOM 0 HB3 HIS A 27 2.000 -15.854 0.448 1.00 0.00 H new ATOM 0 HD2 HIS A 27 4.949 -17.310 -0.999 1.00 0.00 H new ATOM 0 HE1 HIS A 27 2.124 -17.781 -4.129 1.00 0.00 H new ATOM 0 HE2 HIS A 27 4.389 -18.527 -3.235 1.00 0.00 H new ATOM 371 N ASP A 28 2.531 -12.813 1.439 1.00 0.00 N ATOM 372 CA ASP A 28 2.046 -12.082 2.605 1.00 0.00 C ATOM 373 C ASP A 28 1.521 -10.707 2.204 1.00 0.00 C ATOM 374 O ASP A 28 0.347 -10.395 2.407 1.00 0.00 O ATOM 375 CB ASP A 28 3.161 -11.934 3.641 1.00 0.00 C ATOM 376 CG ASP A 28 3.695 -13.273 4.112 1.00 0.00 C ATOM 377 OD1 ASP A 28 4.303 -13.991 3.291 1.00 0.00 O ATOM 378 OD2 ASP A 28 3.503 -13.603 5.301 1.00 0.00 O ATOM 0 H ASP A 28 3.545 -12.916 1.398 1.00 0.00 H new ATOM 0 HA ASP A 28 1.226 -12.650 3.044 1.00 0.00 H new ATOM 0 HB2 ASP A 28 3.976 -11.351 3.212 1.00 0.00 H new ATOM 0 HB3 ASP A 28 2.785 -11.374 4.498 1.00 0.00 H new ATOM 383 N LEU A 29 2.399 -9.887 1.635 1.00 0.00 N ATOM 384 CA LEU A 29 2.025 -8.544 1.207 1.00 0.00 C ATOM 385 C LEU A 29 0.683 -8.557 0.481 1.00 0.00 C ATOM 386 O LEU A 29 -0.054 -7.571 0.499 1.00 0.00 O ATOM 387 CB LEU A 29 3.105 -7.958 0.296 1.00 0.00 C ATOM 388 CG LEU A 29 2.858 -6.537 -0.211 1.00 0.00 C ATOM 389 CD1 LEU A 29 2.935 -5.541 0.936 1.00 0.00 C ATOM 390 CD2 LEU A 29 3.858 -6.178 -1.300 1.00 0.00 C ATOM 0 H LEU A 29 3.374 -10.129 1.460 1.00 0.00 H new ATOM 0 HA LEU A 29 1.930 -7.920 2.096 1.00 0.00 H new ATOM 0 HB2 LEU A 29 4.052 -7.970 0.835 1.00 0.00 H new ATOM 0 HB3 LEU A 29 3.220 -8.615 -0.566 1.00 0.00 H new ATOM 0 HG LEU A 29 1.856 -6.492 -0.637 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.757 -4.535 0.557 1.00 0.00 H new ATOM 0 HD12 LEU A 29 2.180 -5.787 1.682 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.924 -5.587 1.392 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.667 -5.163 -1.649 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.870 -6.240 -0.899 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.754 -6.874 -2.133 1.00 0.00 H new ATOM 402 N ASP A 30 0.372 -9.681 -0.155 1.00 0.00 N ATOM 403 CA ASP A 30 -0.882 -9.825 -0.884 1.00 0.00 C ATOM 404 C ASP A 30 -2.075 -9.547 0.026 1.00 0.00 C ATOM 405 O ASP A 30 -3.002 -8.829 -0.350 1.00 0.00 O ATOM 406 CB ASP A 30 -0.994 -11.231 -1.477 1.00 0.00 C ATOM 407 CG ASP A 30 -1.895 -11.275 -2.695 1.00 0.00 C ATOM 408 OD1 ASP A 30 -1.449 -10.845 -3.780 1.00 0.00 O ATOM 409 OD2 ASP A 30 -3.046 -11.741 -2.565 1.00 0.00 O ATOM 0 H ASP A 30 0.971 -10.506 -0.180 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.888 -9.096 -1.694 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -0.001 -11.587 -1.750 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -1.379 -11.912 -0.719 1.00 0.00 H new ATOM 414 N THR A 31 -2.045 -10.122 1.224 1.00 0.00 N ATOM 415 CA THR A 31 -3.124 -9.938 2.187 1.00 0.00 C ATOM 416 C THR A 31 -3.098 -8.534 2.780 1.00 0.00 C ATOM 417 O THR A 31 -4.144 -7.938 3.039 1.00 0.00 O ATOM 418 CB THR A 31 -3.039 -10.967 3.329 1.00 0.00 C ATOM 419 OG1 THR A 31 -3.034 -12.295 2.793 1.00 0.00 O ATOM 420 CG2 THR A 31 -4.207 -10.807 4.290 1.00 0.00 C ATOM 0 H THR A 31 -1.285 -10.719 1.551 1.00 0.00 H new ATOM 0 HA THR A 31 -4.059 -10.084 1.646 1.00 0.00 H new ATOM 0 HB THR A 31 -2.113 -10.793 3.876 1.00 0.00 H new ATOM 0 HG1 THR A 31 -2.978 -12.943 3.526 1.00 0.00 H new ATOM 0 HG21 THR A 31 -4.125 -11.545 5.088 1.00 0.00 H new ATOM 0 HG22 THR A 31 -4.191 -9.805 4.719 1.00 0.00 H new ATOM 0 HG23 THR A 31 -5.143 -10.956 3.753 1.00 0.00 H new ATOM 428 N LYS A 32 -1.896 -8.008 2.993 1.00 0.00 N ATOM 429 CA LYS A 32 -1.733 -6.673 3.554 1.00 0.00 C ATOM 430 C LYS A 32 -2.551 -5.650 2.772 1.00 0.00 C ATOM 431 O LYS A 32 -3.196 -4.779 3.355 1.00 0.00 O ATOM 432 CB LYS A 32 -0.256 -6.272 3.549 1.00 0.00 C ATOM 433 CG LYS A 32 0.571 -6.985 4.604 1.00 0.00 C ATOM 434 CD LYS A 32 0.494 -6.277 5.946 1.00 0.00 C ATOM 435 CE LYS A 32 1.453 -6.890 6.955 1.00 0.00 C ATOM 436 NZ LYS A 32 0.981 -8.219 7.432 1.00 0.00 N ATOM 0 H LYS A 32 -1.020 -8.487 2.785 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.095 -6.692 4.582 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.165 -6.482 2.566 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -0.180 -5.196 3.705 1.00 0.00 H new ATOM 0 HG2 LYS A 32 0.218 -8.011 4.712 1.00 0.00 H new ATOM 0 HG3 LYS A 32 1.610 -7.038 4.279 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.728 -5.220 5.815 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -0.525 -6.333 6.330 1.00 0.00 H new ATOM 0 HE2 LYS A 32 2.438 -6.996 6.501 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.564 -6.217 7.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 1.662 -8.603 8.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 0.052 -8.114 7.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 0.899 -8.869 6.624 1.00 0.00 H new ATOM 450 N SER A 33 -2.521 -5.763 1.447 1.00 0.00 N ATOM 451 CA SER A 33 -3.258 -4.846 0.585 1.00 0.00 C ATOM 452 C SER A 33 -4.762 -5.026 0.761 1.00 0.00 C ATOM 453 O SER A 33 -5.529 -4.067 0.672 1.00 0.00 O ATOM 454 CB SER A 33 -2.873 -5.070 -0.879 1.00 0.00 C ATOM 455 OG SER A 33 -1.590 -4.538 -1.156 1.00 0.00 O ATOM 0 H SER A 33 -1.995 -6.480 0.948 1.00 0.00 H new ATOM 0 HA SER A 33 -2.996 -3.827 0.870 1.00 0.00 H new ATOM 0 HB2 SER A 33 -2.884 -6.137 -1.102 1.00 0.00 H new ATOM 0 HB3 SER A 33 -3.612 -4.601 -1.528 1.00 0.00 H new ATOM 0 HG SER A 33 -1.103 -5.150 -1.746 1.00 0.00 H new ATOM 461 N LYS A 34 -5.178 -6.263 1.012 1.00 0.00 N ATOM 462 CA LYS A 34 -6.591 -6.572 1.202 1.00 0.00 C ATOM 463 C LYS A 34 -7.184 -5.734 2.330 1.00 0.00 C ATOM 464 O LYS A 34 -8.176 -5.032 2.138 1.00 0.00 O ATOM 465 CB LYS A 34 -6.772 -8.060 1.508 1.00 0.00 C ATOM 466 CG LYS A 34 -6.099 -8.975 0.499 1.00 0.00 C ATOM 467 CD LYS A 34 -6.668 -8.780 -0.896 1.00 0.00 C ATOM 468 CE LYS A 34 -8.082 -9.329 -1.003 1.00 0.00 C ATOM 469 NZ LYS A 34 -8.491 -9.535 -2.420 1.00 0.00 N ATOM 0 H LYS A 34 -4.557 -7.068 1.089 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.118 -6.331 0.279 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.371 -8.270 2.500 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.837 -8.289 1.540 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -5.027 -8.778 0.486 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -6.229 -10.013 0.804 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -6.669 -7.719 -1.145 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.027 -9.277 -1.624 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -8.146 -10.275 -0.465 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -8.776 -8.641 -0.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -9.461 -9.910 -2.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -8.455 -8.628 -2.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -7.844 -10.211 -2.873 1.00 0.00 H new ATOM 483 N GLN A 35 -6.568 -5.813 3.506 1.00 0.00 N ATOM 484 CA GLN A 35 -7.036 -5.061 4.664 1.00 0.00 C ATOM 485 C GLN A 35 -7.234 -3.590 4.314 1.00 0.00 C ATOM 486 O GLN A 35 -8.224 -2.975 4.711 1.00 0.00 O ATOM 487 CB GLN A 35 -6.043 -5.194 5.820 1.00 0.00 C ATOM 488 CG GLN A 35 -6.596 -4.721 7.155 1.00 0.00 C ATOM 489 CD GLN A 35 -7.670 -5.641 7.700 1.00 0.00 C ATOM 490 OE1 GLN A 35 -8.751 -5.763 7.122 1.00 0.00 O ATOM 491 NE2 GLN A 35 -7.379 -6.296 8.818 1.00 0.00 N ATOM 0 H GLN A 35 -5.745 -6.389 3.681 1.00 0.00 H new ATOM 0 HA GLN A 35 -7.997 -5.475 4.971 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -5.741 -6.237 5.910 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -5.146 -4.622 5.585 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -5.782 -4.651 7.877 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -7.007 -3.718 7.039 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -6.471 -6.165 9.264 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -8.063 -6.930 9.231 1.00 0.00 H new ATOM 500 N ILE A 36 -6.285 -3.031 3.571 1.00 0.00 N ATOM 501 CA ILE A 36 -6.356 -1.632 3.167 1.00 0.00 C ATOM 502 C ILE A 36 -7.501 -1.400 2.187 1.00 0.00 C ATOM 503 O ILE A 36 -8.230 -0.414 2.293 1.00 0.00 O ATOM 504 CB ILE A 36 -5.039 -1.165 2.520 1.00 0.00 C ATOM 505 CG1 ILE A 36 -3.872 -1.355 3.492 1.00 0.00 C ATOM 506 CG2 ILE A 36 -5.146 0.290 2.091 1.00 0.00 C ATOM 507 CD1 ILE A 36 -2.520 -1.386 2.814 1.00 0.00 C ATOM 0 H ILE A 36 -5.458 -3.525 3.236 1.00 0.00 H new ATOM 0 HA ILE A 36 -6.532 -1.051 4.072 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.852 -1.772 1.634 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.884 -0.547 4.224 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.015 -2.285 4.042 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.207 0.605 1.636 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.954 0.398 1.368 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.353 0.912 2.962 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.740 -1.523 3.563 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.489 -2.211 2.102 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.355 -0.446 2.287 1.00 0.00 H new ATOM 519 N GLN A 37 -7.653 -2.315 1.236 1.00 0.00 N ATOM 520 CA GLN A 37 -8.711 -2.210 0.238 1.00 0.00 C ATOM 521 C GLN A 37 -10.071 -2.031 0.903 1.00 0.00 C ATOM 522 O GLN A 37 -10.955 -1.368 0.360 1.00 0.00 O ATOM 523 CB GLN A 37 -8.726 -3.454 -0.653 1.00 0.00 C ATOM 524 CG GLN A 37 -9.420 -3.237 -1.988 1.00 0.00 C ATOM 525 CD GLN A 37 -9.875 -4.535 -2.626 1.00 0.00 C ATOM 526 OE1 GLN A 37 -10.384 -5.429 -1.949 1.00 0.00 O ATOM 527 NE2 GLN A 37 -9.694 -4.646 -3.937 1.00 0.00 N ATOM 0 H GLN A 37 -7.058 -3.137 1.135 1.00 0.00 H new ATOM 0 HA GLN A 37 -8.509 -1.333 -0.377 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -7.700 -3.774 -0.834 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -9.224 -4.265 -0.122 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -10.282 -2.586 -1.844 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -8.741 -2.721 -2.667 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -9.268 -3.881 -4.460 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -9.981 -5.497 -4.421 1.00 0.00 H new ATOM 536 N GLN A 38 -10.232 -2.625 2.081 1.00 0.00 N ATOM 537 CA GLN A 38 -11.485 -2.531 2.820 1.00 0.00 C ATOM 538 C GLN A 38 -11.696 -1.119 3.357 1.00 0.00 C ATOM 539 O GLN A 38 -12.745 -0.513 3.141 1.00 0.00 O ATOM 540 CB GLN A 38 -11.499 -3.536 3.973 1.00 0.00 C ATOM 541 CG GLN A 38 -11.607 -4.982 3.518 1.00 0.00 C ATOM 542 CD GLN A 38 -12.982 -5.323 2.979 1.00 0.00 C ATOM 543 OE1 GLN A 38 -13.998 -4.861 3.499 1.00 0.00 O ATOM 544 NE2 GLN A 38 -13.022 -6.136 1.929 1.00 0.00 N ATOM 0 H GLN A 38 -9.510 -3.177 2.544 1.00 0.00 H new ATOM 0 HA GLN A 38 -12.300 -2.765 2.135 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -10.589 -3.416 4.560 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -12.336 -3.308 4.633 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -10.861 -5.173 2.747 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -11.376 -5.641 4.355 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -12.155 -6.496 1.529 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -13.919 -6.400 1.522 1.00 0.00 H new ATOM 553 N TRP A 39 -10.693 -0.603 4.059 1.00 0.00 N ATOM 554 CA TRP A 39 -10.769 0.738 4.628 1.00 0.00 C ATOM 555 C TRP A 39 -11.028 1.776 3.542 1.00 0.00 C ATOM 556 O TRP A 39 -11.901 2.632 3.684 1.00 0.00 O ATOM 557 CB TRP A 39 -9.476 1.072 5.373 1.00 0.00 C ATOM 558 CG TRP A 39 -9.245 0.210 6.577 1.00 0.00 C ATOM 559 CD1 TRP A 39 -10.181 -0.201 7.483 1.00 0.00 C ATOM 560 CD2 TRP A 39 -7.997 -0.344 7.008 1.00 0.00 C ATOM 561 NE1 TRP A 39 -9.590 -0.978 8.450 1.00 0.00 N ATOM 562 CE2 TRP A 39 -8.251 -1.081 8.181 1.00 0.00 C ATOM 563 CE3 TRP A 39 -6.690 -0.292 6.515 1.00 0.00 C ATOM 564 CZ2 TRP A 39 -7.246 -1.757 8.867 1.00 0.00 C ATOM 565 CZ3 TRP A 39 -5.694 -0.963 7.198 1.00 0.00 C ATOM 566 CH2 TRP A 39 -5.976 -1.689 8.363 1.00 0.00 C ATOM 0 H TRP A 39 -9.818 -1.092 4.248 1.00 0.00 H new ATOM 0 HA TRP A 39 -11.601 0.761 5.332 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -8.633 0.964 4.690 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -9.503 2.117 5.683 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -11.231 0.048 7.445 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -10.071 -1.408 9.240 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -6.463 0.263 5.617 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -7.461 -2.316 9.766 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -4.680 -0.927 6.828 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -5.176 -2.205 8.873 1.00 0.00 H new ATOM 577 N ILE A 40 -10.263 1.695 2.458 1.00 0.00 N ATOM 578 CA ILE A 40 -10.412 2.627 1.347 1.00 0.00 C ATOM 579 C ILE A 40 -11.870 2.742 0.917 1.00 0.00 C ATOM 580 O ILE A 40 -12.394 3.844 0.756 1.00 0.00 O ATOM 581 CB ILE A 40 -9.562 2.200 0.136 1.00 0.00 C ATOM 582 CG1 ILE A 40 -8.075 2.231 0.492 1.00 0.00 C ATOM 583 CG2 ILE A 40 -9.846 3.103 -1.055 1.00 0.00 C ATOM 584 CD1 ILE A 40 -7.568 3.609 0.855 1.00 0.00 C ATOM 0 H ILE A 40 -9.534 0.994 2.326 1.00 0.00 H new ATOM 0 HA ILE A 40 -10.063 3.597 1.700 1.00 0.00 H new ATOM 0 HB ILE A 40 -9.830 1.179 -0.135 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -7.896 1.555 1.328 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -7.500 1.852 -0.353 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -9.238 2.789 -1.903 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -10.901 3.035 -1.320 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -9.603 4.134 -0.796 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -6.506 3.554 1.096 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -7.715 4.284 0.012 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -8.117 3.983 1.719 1.00 0.00 H new ATOM 596 N GLU A 41 -12.519 1.597 0.734 1.00 0.00 N ATOM 597 CA GLU A 41 -13.918 1.570 0.323 1.00 0.00 C ATOM 598 C GLU A 41 -14.750 2.537 1.160 1.00 0.00 C ATOM 599 O GLU A 41 -15.584 3.273 0.633 1.00 0.00 O ATOM 600 CB GLU A 41 -14.482 0.153 0.449 1.00 0.00 C ATOM 601 CG GLU A 41 -14.221 -0.717 -0.770 1.00 0.00 C ATOM 602 CD GLU A 41 -15.137 -0.383 -1.932 1.00 0.00 C ATOM 603 OE1 GLU A 41 -15.265 0.815 -2.260 1.00 0.00 O ATOM 604 OE2 GLU A 41 -15.725 -1.319 -2.512 1.00 0.00 O ATOM 0 H GLU A 41 -12.099 0.676 0.864 1.00 0.00 H new ATOM 0 HA GLU A 41 -13.970 1.883 -0.720 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -14.047 -0.326 1.326 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -15.557 0.213 0.619 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -13.184 -0.596 -1.083 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -14.352 -1.765 -0.499 1.00 0.00 H new ATOM 611 N LYS A 42 -14.517 2.529 2.468 1.00 0.00 N ATOM 612 CA LYS A 42 -15.243 3.404 3.380 1.00 0.00 C ATOM 613 C LYS A 42 -14.585 4.778 3.454 1.00 0.00 C ATOM 614 O LYS A 42 -14.663 5.462 4.476 1.00 0.00 O ATOM 615 CB LYS A 42 -15.305 2.781 4.777 1.00 0.00 C ATOM 616 CG LYS A 42 -16.168 1.533 4.848 1.00 0.00 C ATOM 617 CD LYS A 42 -15.675 0.574 5.918 1.00 0.00 C ATOM 618 CE LYS A 42 -14.478 -0.232 5.436 1.00 0.00 C ATOM 619 NZ LYS A 42 -13.779 -0.913 6.560 1.00 0.00 N ATOM 0 H LYS A 42 -13.830 1.925 2.920 1.00 0.00 H new ATOM 0 HA LYS A 42 -16.257 3.525 2.998 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -14.294 2.533 5.100 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -15.691 3.520 5.479 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -17.200 1.815 5.058 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -16.165 1.032 3.880 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -15.401 1.134 6.812 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -16.481 -0.103 6.200 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -14.809 -0.975 4.711 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -13.780 0.428 4.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -12.970 -1.451 6.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -13.441 -0.202 7.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -14.438 -1.562 7.036 1.00 0.00 H new ATOM 633 N LYS A 43 -13.937 5.179 2.366 1.00 0.00 N ATOM 634 CA LYS A 43 -13.267 6.473 2.305 1.00 0.00 C ATOM 635 C LYS A 43 -12.518 6.758 3.603 1.00 0.00 C ATOM 636 O LYS A 43 -12.668 7.827 4.195 1.00 0.00 O ATOM 637 CB LYS A 43 -14.284 7.584 2.036 1.00 0.00 C ATOM 638 CG LYS A 43 -14.691 7.696 0.577 1.00 0.00 C ATOM 639 CD LYS A 43 -13.602 8.350 -0.257 1.00 0.00 C ATOM 640 CE LYS A 43 -13.648 9.866 -0.144 1.00 0.00 C ATOM 641 NZ LYS A 43 -14.827 10.440 -0.849 1.00 0.00 N ATOM 0 H LYS A 43 -13.861 4.625 1.513 1.00 0.00 H new ATOM 0 HA LYS A 43 -12.546 6.444 1.488 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -15.174 7.405 2.640 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -13.864 8.536 2.361 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -14.907 6.704 0.181 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -15.610 8.277 0.498 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -12.626 7.989 0.069 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -13.717 8.058 -1.301 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -13.680 10.151 0.908 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -12.734 10.289 -0.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -14.679 11.458 -1.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -14.946 9.967 -1.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -15.680 10.296 -0.272 1.00 0.00 H new ATOM 655 N TYR A 44 -11.710 5.798 4.038 1.00 0.00 N ATOM 656 CA TYR A 44 -10.938 5.946 5.266 1.00 0.00 C ATOM 657 C TYR A 44 -9.455 6.133 4.957 1.00 0.00 C ATOM 658 O TYR A 44 -8.808 5.244 4.401 1.00 0.00 O ATOM 659 CB TYR A 44 -11.134 4.726 6.167 1.00 0.00 C ATOM 660 CG TYR A 44 -12.415 4.765 6.969 1.00 0.00 C ATOM 661 CD1 TYR A 44 -12.804 5.919 7.637 1.00 0.00 C ATOM 662 CD2 TYR A 44 -13.235 3.647 7.060 1.00 0.00 C ATOM 663 CE1 TYR A 44 -13.973 5.959 8.372 1.00 0.00 C ATOM 664 CE2 TYR A 44 -14.407 3.679 7.791 1.00 0.00 C ATOM 665 CZ TYR A 44 -14.771 4.837 8.445 1.00 0.00 C ATOM 666 OH TYR A 44 -15.937 4.872 9.176 1.00 0.00 O ATOM 0 H TYR A 44 -11.572 4.908 3.558 1.00 0.00 H new ATOM 0 HA TYR A 44 -11.297 6.834 5.787 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -11.127 3.826 5.552 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -10.289 4.651 6.851 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -12.182 6.800 7.581 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -12.951 2.738 6.551 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -14.260 6.864 8.887 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -15.034 2.802 7.850 1.00 0.00 H new ATOM 0 HH TYR A 44 -16.382 4.000 9.124 1.00 0.00 H new ATOM 676 N HIS A 45 -8.923 7.294 5.324 1.00 0.00 N ATOM 677 CA HIS A 45 -7.516 7.598 5.088 1.00 0.00 C ATOM 678 C HIS A 45 -6.618 6.548 5.734 1.00 0.00 C ATOM 679 O HIS A 45 -6.642 6.359 6.951 1.00 0.00 O ATOM 680 CB HIS A 45 -7.174 8.985 5.635 1.00 0.00 C ATOM 681 CG HIS A 45 -7.575 10.104 4.723 1.00 0.00 C ATOM 682 ND1 HIS A 45 -6.824 10.493 3.634 1.00 0.00 N ATOM 683 CD2 HIS A 45 -8.657 10.917 4.743 1.00 0.00 C ATOM 684 CE1 HIS A 45 -7.426 11.498 3.024 1.00 0.00 C ATOM 685 NE2 HIS A 45 -8.541 11.775 3.677 1.00 0.00 N ATOM 0 H HIS A 45 -9.444 8.039 5.786 1.00 0.00 H new ATOM 0 HA HIS A 45 -7.342 7.587 4.012 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -7.666 9.118 6.598 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -6.100 9.041 5.815 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -9.462 10.895 5.463 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -7.068 12.007 2.141 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -9.207 12.507 3.430 1.00 0.00 H new ATOM 694 N VAL A 46 -5.826 5.867 4.912 1.00 0.00 N ATOM 695 CA VAL A 46 -4.920 4.835 5.403 1.00 0.00 C ATOM 696 C VAL A 46 -3.464 5.244 5.206 1.00 0.00 C ATOM 697 O VAL A 46 -2.987 5.350 4.077 1.00 0.00 O ATOM 698 CB VAL A 46 -5.164 3.490 4.695 1.00 0.00 C ATOM 699 CG1 VAL A 46 -4.148 2.454 5.152 1.00 0.00 C ATOM 700 CG2 VAL A 46 -6.583 3.005 4.948 1.00 0.00 C ATOM 0 H VAL A 46 -5.793 6.011 3.903 1.00 0.00 H new ATOM 0 HA VAL A 46 -5.121 4.718 6.468 1.00 0.00 H new ATOM 0 HB VAL A 46 -5.040 3.636 3.622 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.336 1.510 4.641 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.142 2.801 4.914 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.236 2.308 6.229 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.738 2.053 4.440 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -6.737 2.874 6.019 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.292 3.740 4.566 1.00 0.00 H new ATOM 710 N GLN A 47 -2.765 5.472 6.313 1.00 0.00 N ATOM 711 CA GLN A 47 -1.363 5.870 6.262 1.00 0.00 C ATOM 712 C GLN A 47 -0.448 4.658 6.404 1.00 0.00 C ATOM 713 O GLN A 47 -0.405 4.019 7.455 1.00 0.00 O ATOM 714 CB GLN A 47 -1.058 6.886 7.364 1.00 0.00 C ATOM 715 CG GLN A 47 0.405 7.292 7.430 1.00 0.00 C ATOM 716 CD GLN A 47 0.708 8.196 8.609 1.00 0.00 C ATOM 717 OE1 GLN A 47 1.337 7.778 9.581 1.00 0.00 O ATOM 718 NE2 GLN A 47 0.260 9.443 8.529 1.00 0.00 N ATOM 0 H GLN A 47 -3.146 5.388 7.255 1.00 0.00 H new ATOM 0 HA GLN A 47 -1.178 6.331 5.292 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -1.666 7.776 7.204 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -1.354 6.466 8.326 1.00 0.00 H new ATOM 0 HG2 GLN A 47 1.024 6.397 7.495 1.00 0.00 H new ATOM 0 HG3 GLN A 47 0.678 7.802 6.506 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -0.257 9.747 7.704 1.00 0.00 H new ATOM 0 HE22 GLN A 47 0.433 10.097 9.292 1.00 0.00 H new ATOM 727 N VAL A 48 0.283 4.347 5.338 1.00 0.00 N ATOM 728 CA VAL A 48 1.198 3.212 5.344 1.00 0.00 C ATOM 729 C VAL A 48 2.629 3.660 5.621 1.00 0.00 C ATOM 730 O VAL A 48 3.095 4.660 5.073 1.00 0.00 O ATOM 731 CB VAL A 48 1.160 2.453 4.004 1.00 0.00 C ATOM 732 CG1 VAL A 48 2.134 1.285 4.024 1.00 0.00 C ATOM 733 CG2 VAL A 48 -0.252 1.975 3.703 1.00 0.00 C ATOM 0 H VAL A 48 0.259 4.865 4.460 1.00 0.00 H new ATOM 0 HA VAL A 48 0.869 2.545 6.141 1.00 0.00 H new ATOM 0 HB VAL A 48 1.465 3.136 3.211 1.00 0.00 H new ATOM 0 HG11 VAL A 48 2.093 0.761 3.069 1.00 0.00 H new ATOM 0 HG12 VAL A 48 3.145 1.657 4.191 1.00 0.00 H new ATOM 0 HG13 VAL A 48 1.863 0.599 4.826 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.261 1.441 2.753 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -0.587 1.308 4.497 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.922 2.833 3.643 1.00 0.00 H new ATOM 743 N THR A 49 3.323 2.914 6.475 1.00 0.00 N ATOM 744 CA THR A 49 4.700 3.235 6.826 1.00 0.00 C ATOM 745 C THR A 49 5.603 2.015 6.682 1.00 0.00 C ATOM 746 O THR A 49 5.456 1.033 7.410 1.00 0.00 O ATOM 747 CB THR A 49 4.803 3.768 8.268 1.00 0.00 C ATOM 748 OG1 THR A 49 3.848 4.815 8.473 1.00 0.00 O ATOM 749 CG2 THR A 49 6.204 4.290 8.553 1.00 0.00 C ATOM 0 H THR A 49 2.953 2.083 6.936 1.00 0.00 H new ATOM 0 HA THR A 49 5.029 4.011 6.135 1.00 0.00 H new ATOM 0 HB THR A 49 4.592 2.946 8.952 1.00 0.00 H new ATOM 0 HG1 THR A 49 3.919 5.147 9.392 1.00 0.00 H new ATOM 0 HG21 THR A 49 6.253 4.661 9.577 1.00 0.00 H new ATOM 0 HG22 THR A 49 6.926 3.483 8.425 1.00 0.00 H new ATOM 0 HG23 THR A 49 6.438 5.100 7.862 1.00 0.00 H new ATOM 757 N ILE A 50 6.536 2.084 5.739 1.00 0.00 N ATOM 758 CA ILE A 50 7.464 0.985 5.501 1.00 0.00 C ATOM 759 C ILE A 50 8.799 1.233 6.193 1.00 0.00 C ATOM 760 O ILE A 50 9.369 2.320 6.096 1.00 0.00 O ATOM 761 CB ILE A 50 7.710 0.772 3.996 1.00 0.00 C ATOM 762 CG1 ILE A 50 6.387 0.515 3.271 1.00 0.00 C ATOM 763 CG2 ILE A 50 8.674 -0.384 3.775 1.00 0.00 C ATOM 764 CD1 ILE A 50 6.493 0.612 1.766 1.00 0.00 C ATOM 0 H ILE A 50 6.670 2.889 5.127 1.00 0.00 H new ATOM 0 HA ILE A 50 7.004 0.088 5.916 1.00 0.00 H new ATOM 0 HB ILE A 50 8.158 1.677 3.585 1.00 0.00 H new ATOM 0 HG12 ILE A 50 6.023 -0.477 3.538 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.645 1.232 3.622 1.00 0.00 H new ATOM 0 HG21 ILE A 50 8.838 -0.522 2.706 1.00 0.00 H new ATOM 0 HG22 ILE A 50 9.624 -0.164 4.262 1.00 0.00 H new ATOM 0 HG23 ILE A 50 8.252 -1.296 4.198 1.00 0.00 H new ATOM 0 HD11 ILE A 50 5.518 0.418 1.319 1.00 0.00 H new ATOM 0 HD12 ILE A 50 6.827 1.612 1.488 1.00 0.00 H new ATOM 0 HD13 ILE A 50 7.211 -0.124 1.404 1.00 0.00 H new ATOM 776 N LYS A 51 9.296 0.218 6.891 1.00 0.00 N ATOM 777 CA LYS A 51 10.567 0.323 7.598 1.00 0.00 C ATOM 778 C LYS A 51 11.600 -0.628 7.003 1.00 0.00 C ATOM 779 O LYS A 51 11.602 -1.823 7.299 1.00 0.00 O ATOM 780 CB LYS A 51 10.373 0.017 9.085 1.00 0.00 C ATOM 781 CG LYS A 51 9.645 1.114 9.842 1.00 0.00 C ATOM 782 CD LYS A 51 9.403 0.726 11.291 1.00 0.00 C ATOM 783 CE LYS A 51 8.865 1.897 12.099 1.00 0.00 C ATOM 784 NZ LYS A 51 8.119 1.442 13.305 1.00 0.00 N ATOM 0 H LYS A 51 8.837 -0.688 6.982 1.00 0.00 H new ATOM 0 HA LYS A 51 10.933 1.344 7.488 1.00 0.00 H new ATOM 0 HB2 LYS A 51 9.815 -0.914 9.186 1.00 0.00 H new ATOM 0 HB3 LYS A 51 11.348 -0.144 9.544 1.00 0.00 H new ATOM 0 HG2 LYS A 51 10.229 2.033 9.803 1.00 0.00 H new ATOM 0 HG3 LYS A 51 8.692 1.322 9.356 1.00 0.00 H new ATOM 0 HD2 LYS A 51 8.696 -0.102 11.334 1.00 0.00 H new ATOM 0 HD3 LYS A 51 10.334 0.374 11.735 1.00 0.00 H new ATOM 0 HE2 LYS A 51 9.692 2.538 12.404 1.00 0.00 H new ATOM 0 HE3 LYS A 51 8.208 2.500 11.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 7.768 2.269 13.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 7.315 0.851 13.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 8.752 0.888 13.916 1.00 0.00 H new ATOM 978 N THR A 63 12.291 1.707 -1.973 1.00 0.00 N ATOM 979 CA THR A 63 11.165 1.511 -1.069 1.00 0.00 C ATOM 980 C THR A 63 9.839 1.737 -1.786 1.00 0.00 C ATOM 981 O THR A 63 8.803 1.220 -1.370 1.00 0.00 O ATOM 982 CB THR A 63 11.247 2.457 0.144 1.00 0.00 C ATOM 983 OG1 THR A 63 12.580 2.466 0.668 1.00 0.00 O ATOM 984 CG2 THR A 63 10.273 2.029 1.231 1.00 0.00 C ATOM 0 HA THR A 63 11.216 0.480 -0.720 1.00 0.00 H new ATOM 0 HB THR A 63 10.979 3.461 -0.187 1.00 0.00 H new ATOM 0 HG1 THR A 63 13.213 2.232 -0.043 1.00 0.00 H new ATOM 0 HG21 THR A 63 10.349 2.712 2.077 1.00 0.00 H new ATOM 0 HG22 THR A 63 9.257 2.050 0.838 1.00 0.00 H new ATOM 0 HG23 THR A 63 10.514 1.018 1.558 1.00 0.00 H new ATOM 992 N GLU A 64 9.879 2.512 -2.865 1.00 0.00 N ATOM 993 CA GLU A 64 8.679 2.806 -3.639 1.00 0.00 C ATOM 994 C GLU A 64 8.103 1.533 -4.254 1.00 0.00 C ATOM 995 O GLU A 64 6.894 1.307 -4.219 1.00 0.00 O ATOM 996 CB GLU A 64 8.991 3.822 -4.740 1.00 0.00 C ATOM 997 CG GLU A 64 9.202 5.234 -4.222 1.00 0.00 C ATOM 998 CD GLU A 64 9.687 6.184 -5.300 1.00 0.00 C ATOM 999 OE1 GLU A 64 9.210 6.074 -6.448 1.00 0.00 O ATOM 1000 OE2 GLU A 64 10.546 7.039 -4.994 1.00 0.00 O ATOM 0 H GLU A 64 10.729 2.947 -3.223 1.00 0.00 H new ATOM 0 HA GLU A 64 7.937 3.231 -2.963 1.00 0.00 H new ATOM 0 HB2 GLU A 64 9.886 3.503 -5.275 1.00 0.00 H new ATOM 0 HB3 GLU A 64 8.173 3.827 -5.461 1.00 0.00 H new ATOM 0 HG2 GLU A 64 8.266 5.608 -3.807 1.00 0.00 H new ATOM 0 HG3 GLU A 64 9.926 5.214 -3.408 1.00 0.00 H new ATOM 1007 N GLU A 65 8.979 0.707 -4.818 1.00 0.00 N ATOM 1008 CA GLU A 65 8.558 -0.542 -5.442 1.00 0.00 C ATOM 1009 C GLU A 65 7.445 -1.205 -4.635 1.00 0.00 C ATOM 1010 O GLU A 65 6.480 -1.722 -5.198 1.00 0.00 O ATOM 1011 CB GLU A 65 9.745 -1.498 -5.575 1.00 0.00 C ATOM 1012 CG GLU A 65 10.139 -2.164 -4.268 1.00 0.00 C ATOM 1013 CD GLU A 65 11.180 -3.251 -4.457 1.00 0.00 C ATOM 1014 OE1 GLU A 65 12.360 -2.908 -4.683 1.00 0.00 O ATOM 1015 OE2 GLU A 65 10.816 -4.442 -4.380 1.00 0.00 O ATOM 0 H GLU A 65 9.984 0.880 -4.856 1.00 0.00 H new ATOM 0 HA GLU A 65 8.175 -0.310 -6.436 1.00 0.00 H new ATOM 0 HB2 GLU A 65 9.500 -2.268 -6.306 1.00 0.00 H new ATOM 0 HB3 GLU A 65 10.601 -0.948 -5.966 1.00 0.00 H new ATOM 0 HG2 GLU A 65 10.527 -1.410 -3.583 1.00 0.00 H new ATOM 0 HG3 GLU A 65 9.252 -2.593 -3.801 1.00 0.00 H new ATOM 1022 N ILE A 66 7.588 -1.186 -3.314 1.00 0.00 N ATOM 1023 CA ILE A 66 6.596 -1.785 -2.431 1.00 0.00 C ATOM 1024 C ILE A 66 5.266 -1.043 -2.515 1.00 0.00 C ATOM 1025 O ILE A 66 4.220 -1.647 -2.756 1.00 0.00 O ATOM 1026 CB ILE A 66 7.076 -1.790 -0.967 1.00 0.00 C ATOM 1027 CG1 ILE A 66 8.337 -2.645 -0.824 1.00 0.00 C ATOM 1028 CG2 ILE A 66 5.975 -2.303 -0.051 1.00 0.00 C ATOM 1029 CD1 ILE A 66 8.066 -4.132 -0.864 1.00 0.00 C ATOM 0 H ILE A 66 8.381 -0.762 -2.832 1.00 0.00 H new ATOM 0 HA ILE A 66 6.457 -2.814 -2.764 1.00 0.00 H new ATOM 0 HB ILE A 66 7.318 -0.768 -0.675 1.00 0.00 H new ATOM 0 HG12 ILE A 66 9.032 -2.389 -1.623 1.00 0.00 H new ATOM 0 HG13 ILE A 66 8.829 -2.399 0.117 1.00 0.00 H new ATOM 0 HG21 ILE A 66 6.329 -2.301 0.980 1.00 0.00 H new ATOM 0 HG22 ILE A 66 5.101 -1.658 -0.136 1.00 0.00 H new ATOM 0 HG23 ILE A 66 5.705 -3.319 -0.340 1.00 0.00 H new ATOM 0 HD11 ILE A 66 9.005 -4.676 -0.757 1.00 0.00 H new ATOM 0 HD12 ILE A 66 7.395 -4.402 -0.048 1.00 0.00 H new ATOM 0 HD13 ILE A 66 7.602 -4.392 -1.816 1.00 0.00 H new ATOM 1041 N PHE A 67 5.313 0.270 -2.317 1.00 0.00 N ATOM 1042 CA PHE A 67 4.112 1.095 -2.371 1.00 0.00 C ATOM 1043 C PHE A 67 3.300 0.791 -3.627 1.00 0.00 C ATOM 1044 O PHE A 67 2.072 0.721 -3.583 1.00 0.00 O ATOM 1045 CB PHE A 67 4.485 2.579 -2.339 1.00 0.00 C ATOM 1046 CG PHE A 67 4.928 3.056 -0.985 1.00 0.00 C ATOM 1047 CD1 PHE A 67 4.207 2.725 0.151 1.00 0.00 C ATOM 1048 CD2 PHE A 67 6.066 3.834 -0.849 1.00 0.00 C ATOM 1049 CE1 PHE A 67 4.613 3.164 1.397 1.00 0.00 C ATOM 1050 CE2 PHE A 67 6.477 4.275 0.395 1.00 0.00 C ATOM 1051 CZ PHE A 67 5.749 3.939 1.520 1.00 0.00 C ATOM 0 H PHE A 67 6.170 0.786 -2.118 1.00 0.00 H new ATOM 0 HA PHE A 67 3.502 0.862 -1.499 1.00 0.00 H new ATOM 0 HB2 PHE A 67 5.283 2.761 -3.059 1.00 0.00 H new ATOM 0 HB3 PHE A 67 3.626 3.168 -2.660 1.00 0.00 H new ATOM 0 HD1 PHE A 67 3.318 2.118 0.062 1.00 0.00 H new ATOM 0 HD2 PHE A 67 6.639 4.099 -1.725 1.00 0.00 H new ATOM 0 HE1 PHE A 67 4.041 2.901 2.275 1.00 0.00 H new ATOM 0 HE2 PHE A 67 7.366 4.881 0.487 1.00 0.00 H new ATOM 0 HZ PHE A 67 6.068 4.282 2.493 1.00 0.00 H new ATOM 1061 N ASN A 68 3.995 0.611 -4.745 1.00 0.00 N ATOM 1062 CA ASN A 68 3.339 0.315 -6.014 1.00 0.00 C ATOM 1063 C ASN A 68 2.600 -1.018 -5.946 1.00 0.00 C ATOM 1064 O ASN A 68 1.447 -1.120 -6.363 1.00 0.00 O ATOM 1065 CB ASN A 68 4.366 0.285 -7.148 1.00 0.00 C ATOM 1066 CG ASN A 68 4.956 1.654 -7.430 1.00 0.00 C ATOM 1067 OD1 ASN A 68 4.336 2.679 -7.150 1.00 0.00 O ATOM 1068 ND2 ASN A 68 6.161 1.674 -7.988 1.00 0.00 N ATOM 0 H ASN A 68 5.012 0.665 -4.799 1.00 0.00 H new ATOM 0 HA ASN A 68 2.613 1.103 -6.212 1.00 0.00 H new ATOM 0 HB2 ASN A 68 5.168 -0.407 -6.890 1.00 0.00 H new ATOM 0 HB3 ASN A 68 3.893 -0.097 -8.053 1.00 0.00 H new ATOM 0 HD21 ASN A 68 6.609 2.565 -8.202 1.00 0.00 H new ATOM 0 HD22 ASN A 68 6.638 0.798 -8.203 1.00 0.00 H new ATOM 1075 N GLN A 69 3.273 -2.035 -5.418 1.00 0.00 N ATOM 1076 CA GLN A 69 2.680 -3.361 -5.296 1.00 0.00 C ATOM 1077 C GLN A 69 1.289 -3.281 -4.675 1.00 0.00 C ATOM 1078 O GLN A 69 0.358 -3.948 -5.125 1.00 0.00 O ATOM 1079 CB GLN A 69 3.577 -4.269 -4.453 1.00 0.00 C ATOM 1080 CG GLN A 69 4.948 -4.506 -5.064 1.00 0.00 C ATOM 1081 CD GLN A 69 5.570 -5.813 -4.611 1.00 0.00 C ATOM 1082 OE1 GLN A 69 5.038 -6.891 -4.876 1.00 0.00 O ATOM 1083 NE2 GLN A 69 6.704 -5.723 -3.925 1.00 0.00 N ATOM 0 H GLN A 69 4.229 -1.966 -5.068 1.00 0.00 H new ATOM 0 HA GLN A 69 2.587 -3.783 -6.297 1.00 0.00 H new ATOM 0 HB2 GLN A 69 3.700 -3.827 -3.464 1.00 0.00 H new ATOM 0 HB3 GLN A 69 3.080 -5.229 -4.313 1.00 0.00 H new ATOM 0 HG2 GLN A 69 4.862 -4.506 -6.151 1.00 0.00 H new ATOM 0 HG3 GLN A 69 5.609 -3.681 -4.796 1.00 0.00 H new ATOM 0 HE21 GLN A 69 7.110 -4.808 -3.728 1.00 0.00 H new ATOM 0 HE22 GLN A 69 7.169 -6.569 -3.595 1.00 0.00 H new ATOM 1092 N ILE A 70 1.157 -2.460 -3.638 1.00 0.00 N ATOM 1093 CA ILE A 70 -0.120 -2.293 -2.955 1.00 0.00 C ATOM 1094 C ILE A 70 -1.137 -1.599 -3.855 1.00 0.00 C ATOM 1095 O ILE A 70 -2.331 -1.899 -3.807 1.00 0.00 O ATOM 1096 CB ILE A 70 0.038 -1.480 -1.657 1.00 0.00 C ATOM 1097 CG1 ILE A 70 0.976 -2.203 -0.688 1.00 0.00 C ATOM 1098 CG2 ILE A 70 -1.319 -1.243 -1.011 1.00 0.00 C ATOM 1099 CD1 ILE A 70 1.568 -1.298 0.370 1.00 0.00 C ATOM 0 H ILE A 70 1.918 -1.901 -3.253 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.479 -3.292 -2.707 1.00 0.00 H new ATOM 0 HB ILE A 70 0.475 -0.512 -1.903 1.00 0.00 H new ATOM 0 HG12 ILE A 70 0.429 -3.010 -0.200 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.785 -2.664 -1.254 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.190 -0.667 -0.095 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -1.958 -0.691 -1.700 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -1.782 -2.201 -0.775 1.00 0.00 H new ATOM 0 HD11 ILE A 70 2.222 -1.878 1.021 1.00 0.00 H new ATOM 0 HD12 ILE A 70 2.143 -0.506 -0.109 1.00 0.00 H new ATOM 0 HD13 ILE A 70 0.766 -0.857 0.962 1.00 0.00 H new ATOM 1111 N LEU A 71 -0.657 -0.672 -4.676 1.00 0.00 N ATOM 1112 CA LEU A 71 -1.525 0.064 -5.590 1.00 0.00 C ATOM 1113 C LEU A 71 -1.885 -0.787 -6.803 1.00 0.00 C ATOM 1114 O LEU A 71 -2.863 -0.512 -7.497 1.00 0.00 O ATOM 1115 CB LEU A 71 -0.842 1.355 -6.043 1.00 0.00 C ATOM 1116 CG LEU A 71 -1.705 2.321 -6.856 1.00 0.00 C ATOM 1117 CD1 LEU A 71 -2.438 3.285 -5.937 1.00 0.00 C ATOM 1118 CD2 LEU A 71 -0.851 3.083 -7.860 1.00 0.00 C ATOM 0 H LEU A 71 0.328 -0.412 -4.728 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.444 0.313 -5.059 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -0.479 1.880 -5.159 1.00 0.00 H new ATOM 0 HB3 LEU A 71 0.032 1.091 -6.639 1.00 0.00 H new ATOM 0 HG LEU A 71 -2.446 1.741 -7.406 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.047 3.964 -6.533 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.080 2.724 -5.258 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.713 3.859 -5.359 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -1.481 3.766 -8.430 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.087 3.652 -7.330 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.373 2.378 -8.540 1.00 0.00 H new ATOM 1130 N GLN A 72 -1.089 -1.823 -7.050 1.00 0.00 N ATOM 1131 CA GLN A 72 -1.326 -2.715 -8.179 1.00 0.00 C ATOM 1132 C GLN A 72 -2.553 -3.588 -7.934 1.00 0.00 C ATOM 1133 O GLN A 72 -2.987 -4.329 -8.817 1.00 0.00 O ATOM 1134 CB GLN A 72 -0.100 -3.595 -8.426 1.00 0.00 C ATOM 1135 CG GLN A 72 1.103 -2.829 -8.950 1.00 0.00 C ATOM 1136 CD GLN A 72 2.012 -3.685 -9.810 1.00 0.00 C ATOM 1137 OE1 GLN A 72 1.957 -4.914 -9.758 1.00 0.00 O ATOM 1138 NE2 GLN A 72 2.855 -3.040 -10.607 1.00 0.00 N ATOM 0 H GLN A 72 -0.276 -2.065 -6.484 1.00 0.00 H new ATOM 0 HA GLN A 72 -1.509 -2.103 -9.062 1.00 0.00 H new ATOM 0 HB2 GLN A 72 0.174 -4.092 -7.495 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -0.362 -4.376 -9.140 1.00 0.00 H new ATOM 0 HG2 GLN A 72 0.759 -1.974 -9.532 1.00 0.00 H new ATOM 0 HG3 GLN A 72 1.672 -2.434 -8.108 1.00 0.00 H new ATOM 0 HE21 GLN A 72 2.867 -2.020 -10.618 1.00 0.00 H new ATOM 0 HE22 GLN A 72 3.491 -3.564 -11.208 1.00 0.00 H new ATOM 1147 N THR A 73 -3.108 -3.496 -6.730 1.00 0.00 N ATOM 1148 CA THR A 73 -4.283 -4.278 -6.368 1.00 0.00 C ATOM 1149 C THR A 73 -5.533 -3.407 -6.330 1.00 0.00 C ATOM 1150 O THR A 73 -6.650 -3.900 -6.485 1.00 0.00 O ATOM 1151 CB THR A 73 -4.105 -4.961 -4.999 1.00 0.00 C ATOM 1152 OG1 THR A 73 -4.036 -3.973 -3.965 1.00 0.00 O ATOM 1153 CG2 THR A 73 -2.844 -5.812 -4.979 1.00 0.00 C ATOM 0 H THR A 73 -2.762 -2.887 -5.988 1.00 0.00 H new ATOM 0 HA THR A 73 -4.400 -5.044 -7.135 1.00 0.00 H new ATOM 0 HB THR A 73 -4.964 -5.609 -4.826 1.00 0.00 H new ATOM 0 HG1 THR A 73 -3.278 -3.376 -4.133 1.00 0.00 H new ATOM 0 HG21 THR A 73 -2.739 -6.284 -4.002 1.00 0.00 H new ATOM 0 HG22 THR A 73 -2.912 -6.581 -5.749 1.00 0.00 H new ATOM 0 HG23 THR A 73 -1.976 -5.181 -5.172 1.00 0.00 H new ATOM 1161 N MET A 74 -5.338 -2.109 -6.122 1.00 0.00 N ATOM 1162 CA MET A 74 -6.451 -1.168 -6.065 1.00 0.00 C ATOM 1163 C MET A 74 -6.217 0.009 -7.007 1.00 0.00 C ATOM 1164 O MET A 74 -6.467 1.165 -6.668 1.00 0.00 O ATOM 1165 CB MET A 74 -6.645 -0.661 -4.635 1.00 0.00 C ATOM 1166 CG MET A 74 -5.351 -0.568 -3.842 1.00 0.00 C ATOM 1167 SD MET A 74 -5.632 -0.492 -2.063 1.00 0.00 S ATOM 1168 CE MET A 74 -4.680 -1.905 -1.509 1.00 0.00 C ATOM 0 H MET A 74 -4.420 -1.685 -5.990 1.00 0.00 H new ATOM 0 HA MET A 74 -7.353 -1.691 -6.383 1.00 0.00 H new ATOM 0 HB2 MET A 74 -7.113 0.323 -4.667 1.00 0.00 H new ATOM 0 HB3 MET A 74 -7.334 -1.325 -4.113 1.00 0.00 H new ATOM 0 HG2 MET A 74 -4.726 -1.431 -4.071 1.00 0.00 H new ATOM 0 HG3 MET A 74 -4.799 0.317 -4.157 1.00 0.00 H new ATOM 0 HE1 MET A 74 -4.246 -1.691 -0.532 1.00 0.00 H new ATOM 0 HE2 MET A 74 -5.331 -2.776 -1.434 1.00 0.00 H new ATOM 0 HE3 MET A 74 -3.883 -2.109 -2.223 1.00 0.00 H new ATOM 1178 N PRO A 75 -5.725 -0.291 -8.219 1.00 0.00 N ATOM 1179 CA PRO A 75 -5.447 0.729 -9.234 1.00 0.00 C ATOM 1180 C PRO A 75 -6.721 1.350 -9.797 1.00 0.00 C ATOM 1181 O PRO A 75 -6.667 2.289 -10.591 1.00 0.00 O ATOM 1182 CB PRO A 75 -4.705 -0.048 -10.324 1.00 0.00 C ATOM 1183 CG PRO A 75 -5.163 -1.457 -10.163 1.00 0.00 C ATOM 1184 CD PRO A 75 -5.404 -1.648 -8.691 1.00 0.00 C ATOM 0 HA PRO A 75 -4.880 1.565 -8.826 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -4.944 0.335 -11.316 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -3.625 0.034 -10.203 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -6.073 -1.639 -10.734 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -4.411 -2.156 -10.529 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -6.223 -2.342 -8.505 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -4.524 -2.051 -8.189 1.00 0.00 H new ATOM 1192 N ASP A 76 -7.866 0.821 -9.379 1.00 0.00 N ATOM 1193 CA ASP A 76 -9.154 1.324 -9.840 1.00 0.00 C ATOM 1194 C ASP A 76 -10.053 1.679 -8.660 1.00 0.00 C ATOM 1195 O ASP A 76 -11.099 2.307 -8.830 1.00 0.00 O ATOM 1196 CB ASP A 76 -9.843 0.287 -10.728 1.00 0.00 C ATOM 1197 CG ASP A 76 -9.385 0.363 -12.171 1.00 0.00 C ATOM 1198 OD1 ASP A 76 -9.620 1.408 -12.814 1.00 0.00 O ATOM 1199 OD2 ASP A 76 -8.790 -0.621 -12.657 1.00 0.00 O ATOM 0 H ASP A 76 -7.928 0.044 -8.721 1.00 0.00 H new ATOM 0 HA ASP A 76 -8.975 2.228 -10.422 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -9.642 -0.711 -10.338 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -10.922 0.435 -10.684 1.00 0.00 H new ATOM 1204 N ILE A 77 -9.639 1.272 -7.464 1.00 0.00 N ATOM 1205 CA ILE A 77 -10.407 1.547 -6.256 1.00 0.00 C ATOM 1206 C ILE A 77 -9.674 2.532 -5.352 1.00 0.00 C ATOM 1207 O ILE A 77 -10.290 3.220 -4.538 1.00 0.00 O ATOM 1208 CB ILE A 77 -10.695 0.257 -5.466 1.00 0.00 C ATOM 1209 CG1 ILE A 77 -10.802 0.562 -3.970 1.00 0.00 C ATOM 1210 CG2 ILE A 77 -9.608 -0.776 -5.725 1.00 0.00 C ATOM 1211 CD1 ILE A 77 -11.392 -0.573 -3.163 1.00 0.00 C ATOM 0 H ILE A 77 -8.776 0.751 -7.306 1.00 0.00 H new ATOM 0 HA ILE A 77 -11.353 1.985 -6.575 1.00 0.00 H new ATOM 0 HB ILE A 77 -11.647 -0.153 -5.803 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -9.810 0.795 -3.583 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -11.415 1.452 -3.832 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -9.825 -1.682 -5.160 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -9.575 -1.011 -6.789 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -8.644 -0.376 -5.412 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -11.438 -0.287 -2.112 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -12.397 -0.792 -3.524 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -10.767 -1.459 -3.271 1.00 0.00 H new ATOM 1223 N ALA A 78 -8.355 2.594 -5.500 1.00 0.00 N ATOM 1224 CA ALA A 78 -7.538 3.498 -4.700 1.00 0.00 C ATOM 1225 C ALA A 78 -6.557 4.271 -5.574 1.00 0.00 C ATOM 1226 O ALA A 78 -6.320 3.912 -6.728 1.00 0.00 O ATOM 1227 CB ALA A 78 -6.792 2.721 -3.625 1.00 0.00 C ATOM 0 H ALA A 78 -7.829 2.029 -6.167 1.00 0.00 H new ATOM 0 HA ALA A 78 -8.200 4.218 -4.220 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -6.185 3.408 -3.034 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.509 2.219 -2.975 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -6.146 1.979 -4.094 1.00 0.00 H new ATOM 1233 N THR A 79 -5.989 5.337 -5.018 1.00 0.00 N ATOM 1234 CA THR A 79 -5.035 6.162 -5.747 1.00 0.00 C ATOM 1235 C THR A 79 -4.016 6.790 -4.803 1.00 0.00 C ATOM 1236 O THR A 79 -4.240 6.869 -3.595 1.00 0.00 O ATOM 1237 CB THR A 79 -5.745 7.280 -6.534 1.00 0.00 C ATOM 1238 OG1 THR A 79 -4.783 8.069 -7.242 1.00 0.00 O ATOM 1239 CG2 THR A 79 -6.551 8.171 -5.600 1.00 0.00 C ATOM 0 H THR A 79 -6.174 5.649 -4.065 1.00 0.00 H new ATOM 0 HA THR A 79 -4.520 5.505 -6.448 1.00 0.00 H new ATOM 0 HB THR A 79 -6.427 6.815 -7.246 1.00 0.00 H new ATOM 0 HG1 THR A 79 -5.243 8.776 -7.741 1.00 0.00 H new ATOM 0 HG21 THR A 79 -7.043 8.953 -6.178 1.00 0.00 H new ATOM 0 HG22 THR A 79 -7.303 7.573 -5.085 1.00 0.00 H new ATOM 0 HG23 THR A 79 -5.885 8.626 -4.867 1.00 0.00 H new ATOM 1247 N PHE A 80 -2.895 7.236 -5.361 1.00 0.00 N ATOM 1248 CA PHE A 80 -1.841 7.857 -4.567 1.00 0.00 C ATOM 1249 C PHE A 80 -2.233 9.273 -4.155 1.00 0.00 C ATOM 1250 O PHE A 80 -2.080 10.220 -4.926 1.00 0.00 O ATOM 1251 CB PHE A 80 -0.531 7.888 -5.357 1.00 0.00 C ATOM 1252 CG PHE A 80 0.366 6.716 -5.077 1.00 0.00 C ATOM 1253 CD1 PHE A 80 0.881 6.508 -3.808 1.00 0.00 C ATOM 1254 CD2 PHE A 80 0.693 5.822 -6.084 1.00 0.00 C ATOM 1255 CE1 PHE A 80 1.705 5.430 -3.547 1.00 0.00 C ATOM 1256 CE2 PHE A 80 1.517 4.742 -5.829 1.00 0.00 C ATOM 1257 CZ PHE A 80 2.025 4.546 -4.559 1.00 0.00 C ATOM 0 H PHE A 80 -2.693 7.179 -6.359 1.00 0.00 H new ATOM 0 HA PHE A 80 -1.700 7.261 -3.665 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -0.759 7.914 -6.423 1.00 0.00 H new ATOM 0 HB3 PHE A 80 0.004 8.809 -5.123 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.636 7.197 -3.013 1.00 0.00 H new ATOM 0 HD2 PHE A 80 0.300 5.971 -7.079 1.00 0.00 H new ATOM 0 HE1 PHE A 80 2.098 5.279 -2.553 1.00 0.00 H new ATOM 0 HE2 PHE A 80 1.764 4.052 -6.622 1.00 0.00 H new ATOM 0 HZ PHE A 80 2.671 3.704 -4.358 1.00 0.00 H new ATOM 1267 N SER A 81 -2.740 9.408 -2.934 1.00 0.00 N ATOM 1268 CA SER A 81 -3.159 10.707 -2.420 1.00 0.00 C ATOM 1269 C SER A 81 -1.959 11.507 -1.924 1.00 0.00 C ATOM 1270 O SER A 81 -1.821 12.693 -2.227 1.00 0.00 O ATOM 1271 CB SER A 81 -4.171 10.528 -1.286 1.00 0.00 C ATOM 1272 OG SER A 81 -4.060 11.572 -0.334 1.00 0.00 O ATOM 0 H SER A 81 -2.871 8.634 -2.282 1.00 0.00 H new ATOM 0 HA SER A 81 -3.630 11.258 -3.234 1.00 0.00 H new ATOM 0 HB2 SER A 81 -5.181 10.511 -1.695 1.00 0.00 H new ATOM 0 HB3 SER A 81 -4.008 9.567 -0.797 1.00 0.00 H new ATOM 0 HG SER A 81 -4.718 11.436 0.379 1.00 0.00 H new ATOM 1278 N SER A 82 -1.093 10.850 -1.159 1.00 0.00 N ATOM 1279 CA SER A 82 0.095 11.500 -0.616 1.00 0.00 C ATOM 1280 C SER A 82 1.356 10.729 -0.993 1.00 0.00 C ATOM 1281 O SER A 82 1.685 9.717 -0.375 1.00 0.00 O ATOM 1282 CB SER A 82 -0.011 11.615 0.906 1.00 0.00 C ATOM 1283 OG SER A 82 -0.725 12.781 1.280 1.00 0.00 O ATOM 0 H SER A 82 -1.191 9.868 -0.901 1.00 0.00 H new ATOM 0 HA SER A 82 0.160 12.500 -1.045 1.00 0.00 H new ATOM 0 HB2 SER A 82 -0.512 10.734 1.307 1.00 0.00 H new ATOM 0 HB3 SER A 82 0.987 11.640 1.343 1.00 0.00 H new ATOM 0 HG SER A 82 -0.781 12.831 2.257 1.00 0.00 H new ATOM 1289 N ARG A 83 2.058 11.216 -2.011 1.00 0.00 N ATOM 1290 CA ARG A 83 3.283 10.573 -2.472 1.00 0.00 C ATOM 1291 C ARG A 83 4.150 10.147 -1.291 1.00 0.00 C ATOM 1292 O ARG A 83 4.302 10.871 -0.307 1.00 0.00 O ATOM 1293 CB ARG A 83 4.069 11.518 -3.381 1.00 0.00 C ATOM 1294 CG ARG A 83 3.648 11.450 -4.840 1.00 0.00 C ATOM 1295 CD ARG A 83 2.243 11.996 -5.041 1.00 0.00 C ATOM 1296 NE ARG A 83 1.966 12.293 -6.444 1.00 0.00 N ATOM 1297 CZ ARG A 83 0.853 12.883 -6.864 1.00 0.00 C ATOM 1298 NH1 ARG A 83 -0.082 13.238 -5.994 1.00 0.00 N ATOM 1299 NH2 ARG A 83 0.673 13.119 -8.158 1.00 0.00 N ATOM 0 H ARG A 83 1.800 12.054 -2.532 1.00 0.00 H new ATOM 0 HA ARG A 83 3.006 9.683 -3.037 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.945 12.540 -3.023 1.00 0.00 H new ATOM 0 HB3 ARG A 83 5.130 11.281 -3.306 1.00 0.00 H new ATOM 0 HG2 ARG A 83 4.351 12.018 -5.449 1.00 0.00 H new ATOM 0 HG3 ARG A 83 3.691 10.417 -5.184 1.00 0.00 H new ATOM 0 HD2 ARG A 83 1.517 11.271 -4.674 1.00 0.00 H new ATOM 0 HD3 ARG A 83 2.118 12.902 -4.447 1.00 0.00 H new ATOM 0 HE ARG A 83 2.666 12.033 -7.139 1.00 0.00 H new ATOM 0 HH11 ARG A 83 0.052 13.058 -4.999 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -0.936 13.691 -6.320 1.00 0.00 H new ATOM 0 HH21 ARG A 83 1.390 12.847 -8.831 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -0.182 13.572 -8.480 1.00 0.00 H new ATOM 1313 N PRO A 84 4.734 8.943 -1.389 1.00 0.00 N ATOM 1314 CA PRO A 84 5.596 8.394 -0.339 1.00 0.00 C ATOM 1315 C PRO A 84 6.923 9.137 -0.230 1.00 0.00 C ATOM 1316 O PRO A 84 7.825 8.942 -1.045 1.00 0.00 O ATOM 1317 CB PRO A 84 5.828 6.949 -0.790 1.00 0.00 C ATOM 1318 CG PRO A 84 5.644 6.980 -2.268 1.00 0.00 C ATOM 1319 CD PRO A 84 4.598 8.027 -2.533 1.00 0.00 C ATOM 0 HA PRO A 84 5.141 8.480 0.648 1.00 0.00 H new ATOM 0 HB2 PRO A 84 6.828 6.606 -0.522 1.00 0.00 H new ATOM 0 HB3 PRO A 84 5.120 6.268 -0.317 1.00 0.00 H new ATOM 0 HG2 PRO A 84 6.578 7.225 -2.773 1.00 0.00 H new ATOM 0 HG3 PRO A 84 5.326 6.007 -2.642 1.00 0.00 H new ATOM 0 HD2 PRO A 84 4.772 8.538 -3.480 1.00 0.00 H new ATOM 0 HD3 PRO A 84 3.599 7.593 -2.584 1.00 0.00 H new ATOM 1327 N LYS A 85 7.037 9.990 0.782 1.00 0.00 N ATOM 1328 CA LYS A 85 8.254 10.763 1.000 1.00 0.00 C ATOM 1329 C LYS A 85 9.218 10.014 1.915 1.00 0.00 C ATOM 1330 O LYS A 85 8.842 9.035 2.560 1.00 0.00 O ATOM 1331 CB LYS A 85 7.916 12.127 1.604 1.00 0.00 C ATOM 1332 CG LYS A 85 7.533 12.063 3.073 1.00 0.00 C ATOM 1333 CD LYS A 85 6.051 11.776 3.250 1.00 0.00 C ATOM 1334 CE LYS A 85 5.520 12.367 4.547 1.00 0.00 C ATOM 1335 NZ LYS A 85 4.034 12.469 4.542 1.00 0.00 N ATOM 0 H LYS A 85 6.300 10.164 1.465 1.00 0.00 H new ATOM 0 HA LYS A 85 8.738 10.911 0.035 1.00 0.00 H new ATOM 0 HB2 LYS A 85 8.775 12.789 1.489 1.00 0.00 H new ATOM 0 HB3 LYS A 85 7.094 12.571 1.042 1.00 0.00 H new ATOM 0 HG2 LYS A 85 8.117 11.287 3.569 1.00 0.00 H new ATOM 0 HG3 LYS A 85 7.782 13.008 3.557 1.00 0.00 H new ATOM 0 HD2 LYS A 85 5.496 12.188 2.407 1.00 0.00 H new ATOM 0 HD3 LYS A 85 5.885 10.699 3.245 1.00 0.00 H new ATOM 0 HE2 LYS A 85 5.839 11.748 5.386 1.00 0.00 H new ATOM 0 HE3 LYS A 85 5.952 13.356 4.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 3.700 12.714 5.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 3.739 13.207 3.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 3.624 11.557 4.255 1.00 0.00 H new ATOM 1349 N ALA A 86 10.461 10.481 1.968 1.00 0.00 N ATOM 1350 CA ALA A 86 11.476 9.857 2.807 1.00 0.00 C ATOM 1351 C ALA A 86 11.364 10.334 4.251 1.00 0.00 C ATOM 1352 O ALA A 86 11.540 11.519 4.538 1.00 0.00 O ATOM 1353 CB ALA A 86 12.865 10.148 2.259 1.00 0.00 C ATOM 0 H ALA A 86 10.789 11.289 1.440 1.00 0.00 H new ATOM 0 HA ALA A 86 11.311 8.780 2.794 1.00 0.00 H new ATOM 0 HB1 ALA A 86 13.613 9.676 2.895 1.00 0.00 H new ATOM 0 HB2 ALA A 86 12.947 9.752 1.247 1.00 0.00 H new ATOM 0 HB3 ALA A 86 13.031 11.225 2.242 1.00 0.00 H new ATOM 1359 N ILE A 87 11.069 9.406 5.155 1.00 0.00 N ATOM 1360 CA ILE A 87 10.934 9.733 6.569 1.00 0.00 C ATOM 1361 C ILE A 87 12.011 9.042 7.398 1.00 0.00 C ATOM 1362 O ILE A 87 12.804 8.259 6.876 1.00 0.00 O ATOM 1363 CB ILE A 87 9.549 9.332 7.110 1.00 0.00 C ATOM 1364 CG1 ILE A 87 9.429 7.809 7.186 1.00 0.00 C ATOM 1365 CG2 ILE A 87 8.449 9.912 6.232 1.00 0.00 C ATOM 1366 CD1 ILE A 87 8.235 7.336 7.986 1.00 0.00 C ATOM 0 H ILE A 87 10.919 8.422 4.933 1.00 0.00 H new ATOM 0 HA ILE A 87 11.050 10.813 6.655 1.00 0.00 H new ATOM 0 HB ILE A 87 9.437 9.738 8.115 1.00 0.00 H new ATOM 0 HG12 ILE A 87 9.361 7.407 6.175 1.00 0.00 H new ATOM 0 HG13 ILE A 87 10.338 7.403 7.630 1.00 0.00 H new ATOM 0 HG21 ILE A 87 7.476 9.620 6.627 1.00 0.00 H new ATOM 0 HG22 ILE A 87 8.526 10.999 6.223 1.00 0.00 H new ATOM 0 HG23 ILE A 87 8.557 9.533 5.216 1.00 0.00 H new ATOM 0 HD11 ILE A 87 8.213 6.246 7.997 1.00 0.00 H new ATOM 0 HD12 ILE A 87 8.311 7.708 9.008 1.00 0.00 H new ATOM 0 HD13 ILE A 87 7.319 7.712 7.530 1.00 0.00 H new ATOM 1378 N ARG A 88 12.031 9.336 8.694 1.00 0.00 N ATOM 1379 CA ARG A 88 13.011 8.743 9.597 1.00 0.00 C ATOM 1380 C ARG A 88 14.415 8.824 9.005 1.00 0.00 C ATOM 1381 O ARG A 88 15.279 8.006 9.317 1.00 0.00 O ATOM 1382 CB ARG A 88 12.651 7.284 9.886 1.00 0.00 C ATOM 1383 CG ARG A 88 11.178 7.070 10.195 1.00 0.00 C ATOM 1384 CD ARG A 88 10.881 7.288 11.671 1.00 0.00 C ATOM 1385 NE ARG A 88 11.015 8.691 12.054 1.00 0.00 N ATOM 1386 CZ ARG A 88 11.151 9.100 13.311 1.00 0.00 C ATOM 1387 NH1 ARG A 88 11.171 8.217 14.300 1.00 0.00 N ATOM 1388 NH2 ARG A 88 11.267 10.394 13.580 1.00 0.00 N ATOM 0 H ARG A 88 11.380 9.981 9.142 1.00 0.00 H new ATOM 0 HA ARG A 88 12.996 9.306 10.530 1.00 0.00 H new ATOM 0 HB2 ARG A 88 12.926 6.674 9.026 1.00 0.00 H new ATOM 0 HB3 ARG A 88 13.245 6.932 10.729 1.00 0.00 H new ATOM 0 HG2 ARG A 88 10.576 7.754 9.597 1.00 0.00 H new ATOM 0 HG3 ARG A 88 10.888 6.059 9.910 1.00 0.00 H new ATOM 0 HD2 ARG A 88 9.870 6.947 11.892 1.00 0.00 H new ATOM 0 HD3 ARG A 88 11.560 6.682 12.271 1.00 0.00 H new ATOM 0 HE ARG A 88 11.004 9.395 11.316 1.00 0.00 H new ATOM 0 HH11 ARG A 88 11.082 7.221 14.097 1.00 0.00 H new ATOM 0 HH12 ARG A 88 11.276 8.533 15.264 1.00 0.00 H new ATOM 0 HH21 ARG A 88 11.252 11.076 12.822 1.00 0.00 H new ATOM 0 HH22 ARG A 88 11.371 10.707 14.545 1.00 0.00 H new ATOM 1402 N GLY A 89 14.634 9.816 8.148 1.00 0.00 N ATOM 1403 CA GLY A 89 15.934 9.985 7.525 1.00 0.00 C ATOM 1404 C GLY A 89 15.962 9.481 6.096 1.00 0.00 C ATOM 1405 O GLY A 89 16.687 10.015 5.257 1.00 0.00 O ATOM 0 H GLY A 89 13.935 10.506 7.874 1.00 0.00 H new ATOM 0 HA2 GLY A 89 16.206 11.040 7.540 1.00 0.00 H new ATOM 0 HA3 GLY A 89 16.685 9.454 8.109 1.00 0.00 H new ATOM 1409 N GLY A 90 15.172 8.449 5.818 1.00 0.00 N ATOM 1410 CA GLY A 90 15.126 7.889 4.480 1.00 0.00 C ATOM 1411 C GLY A 90 14.952 6.384 4.487 1.00 0.00 C ATOM 1412 O GLY A 90 14.566 5.790 3.479 1.00 0.00 O ATOM 0 H GLY A 90 14.563 7.990 6.496 1.00 0.00 H new ATOM 0 HA2 GLY A 90 14.304 8.344 3.927 1.00 0.00 H new ATOM 0 HA3 GLY A 90 16.045 8.143 3.951 1.00 0.00 H new ATOM 1416 N THR A 91 15.239 5.761 5.626 1.00 0.00 N ATOM 1417 CA THR A 91 15.115 4.316 5.759 1.00 0.00 C ATOM 1418 C THR A 91 13.656 3.880 5.692 1.00 0.00 C ATOM 1419 O THR A 91 13.356 2.727 5.384 1.00 0.00 O ATOM 1420 CB THR A 91 15.727 3.819 7.083 1.00 0.00 C ATOM 1421 OG1 THR A 91 17.023 4.399 7.272 1.00 0.00 O ATOM 1422 CG2 THR A 91 15.838 2.302 7.092 1.00 0.00 C ATOM 0 H THR A 91 15.559 6.236 6.470 1.00 0.00 H new ATOM 0 HA THR A 91 15.662 3.874 4.926 1.00 0.00 H new ATOM 0 HB THR A 91 15.071 4.124 7.898 1.00 0.00 H new ATOM 0 HG1 THR A 91 17.404 4.080 8.116 1.00 0.00 H new ATOM 0 HG21 THR A 91 16.273 1.975 8.036 1.00 0.00 H new ATOM 0 HG22 THR A 91 14.846 1.864 6.978 1.00 0.00 H new ATOM 0 HG23 THR A 91 16.475 1.979 6.268 1.00 0.00 H new ATOM 1430 N ALA A 92 12.752 4.810 5.982 1.00 0.00 N ATOM 1431 CA ALA A 92 11.323 4.523 5.951 1.00 0.00 C ATOM 1432 C ALA A 92 10.570 5.569 5.137 1.00 0.00 C ATOM 1433 O ALA A 92 11.053 6.684 4.942 1.00 0.00 O ATOM 1434 CB ALA A 92 10.769 4.453 7.367 1.00 0.00 C ATOM 0 H ALA A 92 12.984 5.769 6.241 1.00 0.00 H new ATOM 0 HA ALA A 92 11.182 3.556 5.469 1.00 0.00 H new ATOM 0 HB1 ALA A 92 9.701 4.238 7.330 1.00 0.00 H new ATOM 0 HB2 ALA A 92 11.279 3.663 7.919 1.00 0.00 H new ATOM 0 HB3 ALA A 92 10.930 5.408 7.868 1.00 0.00 H new ATOM 1440 N SER A 93 9.384 5.201 4.662 1.00 0.00 N ATOM 1441 CA SER A 93 8.566 6.107 3.864 1.00 0.00 C ATOM 1442 C SER A 93 7.117 6.093 4.342 1.00 0.00 C ATOM 1443 O SER A 93 6.647 5.106 4.907 1.00 0.00 O ATOM 1444 CB SER A 93 8.631 5.718 2.386 1.00 0.00 C ATOM 1445 OG SER A 93 9.941 5.884 1.872 1.00 0.00 O ATOM 0 H SER A 93 8.968 4.282 4.816 1.00 0.00 H new ATOM 0 HA SER A 93 8.961 7.116 3.985 1.00 0.00 H new ATOM 0 HB2 SER A 93 8.319 4.681 2.266 1.00 0.00 H new ATOM 0 HB3 SER A 93 7.933 6.330 1.815 1.00 0.00 H new ATOM 0 HG SER A 93 9.956 5.627 0.926 1.00 0.00 H new ATOM 1451 N MET A 94 6.414 7.198 4.111 1.00 0.00 N ATOM 1452 CA MET A 94 5.018 7.314 4.517 1.00 0.00 C ATOM 1453 C MET A 94 4.150 7.773 3.350 1.00 0.00 C ATOM 1454 O MET A 94 4.449 8.774 2.698 1.00 0.00 O ATOM 1455 CB MET A 94 4.884 8.292 5.685 1.00 0.00 C ATOM 1456 CG MET A 94 3.663 8.038 6.554 1.00 0.00 C ATOM 1457 SD MET A 94 3.027 9.543 7.316 1.00 0.00 S ATOM 1458 CE MET A 94 2.028 10.202 5.984 1.00 0.00 C ATOM 0 H MET A 94 6.788 8.025 3.645 1.00 0.00 H new ATOM 0 HA MET A 94 4.675 6.330 4.837 1.00 0.00 H new ATOM 0 HB2 MET A 94 5.779 8.231 6.304 1.00 0.00 H new ATOM 0 HB3 MET A 94 4.836 9.308 5.294 1.00 0.00 H new ATOM 0 HG2 MET A 94 2.879 7.583 5.948 1.00 0.00 H new ATOM 0 HG3 MET A 94 3.920 7.321 7.334 1.00 0.00 H new ATOM 0 HE1 MET A 94 1.993 11.289 6.059 1.00 0.00 H new ATOM 0 HE2 MET A 94 2.465 9.918 5.027 1.00 0.00 H new ATOM 0 HE3 MET A 94 1.017 9.801 6.055 1.00 0.00 H new ATOM 1468 N CYS A 95 3.075 7.037 3.093 1.00 0.00 N ATOM 1469 CA CYS A 95 2.163 7.369 2.004 1.00 0.00 C ATOM 1470 C CYS A 95 0.713 7.154 2.424 1.00 0.00 C ATOM 1471 O CYS A 95 0.433 6.429 3.378 1.00 0.00 O ATOM 1472 CB CYS A 95 2.480 6.523 0.770 1.00 0.00 C ATOM 1473 SG CYS A 95 1.103 6.367 -0.392 1.00 0.00 S ATOM 0 H CYS A 95 2.813 6.206 3.624 1.00 0.00 H new ATOM 0 HA CYS A 95 2.298 8.422 1.758 1.00 0.00 H new ATOM 0 HB2 CYS A 95 3.332 6.962 0.251 1.00 0.00 H new ATOM 0 HB3 CYS A 95 2.783 5.527 1.093 1.00 0.00 H new ATOM 0 HG CYS A 95 1.561 6.352 -1.608 1.00 0.00 H new ATOM 1479 N VAL A 96 -0.207 7.791 1.705 1.00 0.00 N ATOM 1480 CA VAL A 96 -1.629 7.670 2.003 1.00 0.00 C ATOM 1481 C VAL A 96 -2.394 7.105 0.812 1.00 0.00 C ATOM 1482 O VAL A 96 -2.130 7.463 -0.336 1.00 0.00 O ATOM 1483 CB VAL A 96 -2.238 9.030 2.393 1.00 0.00 C ATOM 1484 CG1 VAL A 96 -3.685 8.861 2.831 1.00 0.00 C ATOM 1485 CG2 VAL A 96 -1.414 9.688 3.489 1.00 0.00 C ATOM 0 H VAL A 96 0.008 8.396 0.912 1.00 0.00 H new ATOM 0 HA VAL A 96 -1.719 6.985 2.846 1.00 0.00 H new ATOM 0 HB VAL A 96 -2.222 9.680 1.518 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.099 9.832 3.103 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -4.266 8.435 2.013 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.729 8.194 3.692 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -1.859 10.648 3.752 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.396 9.043 4.368 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -0.396 9.845 3.134 1.00 0.00 H new ATOM 1495 N PHE A 97 -3.344 6.219 1.092 1.00 0.00 N ATOM 1496 CA PHE A 97 -4.148 5.603 0.044 1.00 0.00 C ATOM 1497 C PHE A 97 -5.604 6.049 0.142 1.00 0.00 C ATOM 1498 O PHE A 97 -6.263 5.835 1.160 1.00 0.00 O ATOM 1499 CB PHE A 97 -4.063 4.078 0.135 1.00 0.00 C ATOM 1500 CG PHE A 97 -2.732 3.526 -0.288 1.00 0.00 C ATOM 1501 CD1 PHE A 97 -1.702 3.386 0.629 1.00 0.00 C ATOM 1502 CD2 PHE A 97 -2.510 3.145 -1.602 1.00 0.00 C ATOM 1503 CE1 PHE A 97 -0.476 2.879 0.242 1.00 0.00 C ATOM 1504 CE2 PHE A 97 -1.286 2.637 -1.994 1.00 0.00 C ATOM 1505 CZ PHE A 97 -0.268 2.503 -1.071 1.00 0.00 C ATOM 0 H PHE A 97 -3.576 5.912 2.037 1.00 0.00 H new ATOM 0 HA PHE A 97 -3.752 5.925 -0.919 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -4.265 3.771 1.161 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -4.843 3.641 -0.488 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -1.859 3.676 1.657 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -3.303 3.246 -2.328 1.00 0.00 H new ATOM 0 HE1 PHE A 97 0.319 2.777 0.966 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -1.126 2.345 -3.021 1.00 0.00 H new ATOM 0 HZ PHE A 97 0.689 2.105 -1.375 1.00 0.00 H new ATOM 1515 N ARG A 98 -6.100 6.670 -0.923 1.00 0.00 N ATOM 1516 CA ARG A 98 -7.477 7.148 -0.956 1.00 0.00 C ATOM 1517 C ARG A 98 -8.228 6.560 -2.147 1.00 0.00 C ATOM 1518 O ARG A 98 -7.624 5.980 -3.050 1.00 0.00 O ATOM 1519 CB ARG A 98 -7.507 8.676 -1.026 1.00 0.00 C ATOM 1520 CG ARG A 98 -7.250 9.228 -2.419 1.00 0.00 C ATOM 1521 CD ARG A 98 -7.627 10.698 -2.513 1.00 0.00 C ATOM 1522 NE ARG A 98 -7.172 11.456 -1.350 1.00 0.00 N ATOM 1523 CZ ARG A 98 -7.123 12.783 -1.311 1.00 0.00 C ATOM 1524 NH1 ARG A 98 -7.500 13.495 -2.364 1.00 0.00 N ATOM 1525 NH2 ARG A 98 -6.697 13.400 -0.216 1.00 0.00 N ATOM 0 H ARG A 98 -5.569 6.854 -1.774 1.00 0.00 H new ATOM 0 HA ARG A 98 -7.970 6.823 -0.040 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -8.478 9.028 -0.679 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -6.759 9.077 -0.342 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -6.197 9.104 -2.672 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -7.823 8.657 -3.150 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -7.194 11.126 -3.417 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -8.709 10.789 -2.604 1.00 0.00 H new ATOM 0 HE ARG A 98 -6.876 10.938 -0.523 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -7.829 13.024 -3.207 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -7.461 14.514 -2.331 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -6.407 12.855 0.596 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -6.660 14.419 -0.187 1.00 0.00 H new ATOM 1539 N HIS A 99 -9.548 6.712 -2.141 1.00 0.00 N ATOM 1540 CA HIS A 99 -10.382 6.195 -3.221 1.00 0.00 C ATOM 1541 C HIS A 99 -10.625 7.266 -4.280 1.00 0.00 C ATOM 1542 O HIS A 99 -10.771 8.447 -3.961 1.00 0.00 O ATOM 1543 CB HIS A 99 -11.718 5.696 -2.668 1.00 0.00 C ATOM 1544 CG HIS A 99 -12.739 5.419 -3.728 1.00 0.00 C ATOM 1545 ND1 HIS A 99 -13.424 6.414 -4.393 1.00 0.00 N ATOM 1546 CD2 HIS A 99 -13.188 4.249 -4.239 1.00 0.00 C ATOM 1547 CE1 HIS A 99 -14.252 5.868 -5.265 1.00 0.00 C ATOM 1548 NE2 HIS A 99 -14.128 4.555 -5.193 1.00 0.00 N ATOM 0 H HIS A 99 -10.063 7.189 -1.401 1.00 0.00 H new ATOM 0 HA HIS A 99 -9.856 5.362 -3.686 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -11.547 4.786 -2.093 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -12.116 6.439 -1.977 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -12.867 3.259 -3.950 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -14.918 6.404 -5.925 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -14.646 3.879 -5.754 1.00 0.00 H new