USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 741 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 83 SER OG : rot -96:sc= 2.32 USER MOD Set 1.2: A 85 ASN : amide:sc= 1.15 K(o=3.5,f=2) USER MOD Single : A 15 LYS NZ :NH3+ -158:sc= 1.17 (180deg=0.641) USER MOD Single : A 23 MET CE :methyl -143:sc= -2.04! (180deg=-4.99!) USER MOD Single : A 24 ASN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 25 THR OG1 : rot -19:sc= 0.608 USER MOD Single : A 26 SER OG : rot -157:sc= 0.455 USER MOD Single : A 31 HIS : no HD1:sc= -0.528 X(o=-0.53,f=-0.64) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl -150:sc= -0.169 (180deg=-0.882) USER MOD Single : A 36 SER OG : rot 180:sc= -1.25 USER MOD Single : A 37 THR OG1 : rot -150:sc= -0.403 USER MOD Single : A 39 LYS NZ :NH3+ -169:sc= 2.28 (180deg=1.8) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 30:sc= -0.606 USER MOD Single : A 46 HIS : no HD1:sc= -0.949 K(o=-0.95,f=-0.0053) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 67 ASN : amide:sc= -0.083 K(o=-0.083,f=-3.1!) USER MOD Single : A 71 THR OG1 : rot 79:sc= 1.07 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -169:sc= -0.0196 (180deg=-0.183) USER MOD Single : A 80 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0224) USER MOD Single : A 90 LYS NZ :NH3+ -163:sc= 0.171 (180deg=-0.105) USER MOD Single : A 91 ASN : amide:sc= -2.88! K(o=-2.9!,f=-0.12) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= -0.182 USER MOD Single : A 97 THR OG1 : rot -59:sc= 1.24 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= -0.392 K(o=-0.39,f=-2.5) USER MOD Single : A 102 GLN : amide:sc=-0.00271 X(o=-0.0027,f=-0.0027) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 163 N ALA A 12 11.106 0.194 -0.475 1.00 0.00 N ATOM 164 CA ALA A 12 9.744 0.273 -0.970 1.00 0.00 C ATOM 165 C ALA A 12 8.880 1.137 -0.069 1.00 0.00 C ATOM 166 O ALA A 12 7.898 1.703 -0.516 1.00 0.00 O ATOM 167 CB ALA A 12 9.145 -1.120 -1.074 1.00 0.00 C ATOM 0 HA ALA A 12 9.772 0.732 -1.958 1.00 0.00 H new ATOM 0 HB1 ALA A 12 8.123 -1.050 -1.446 1.00 0.00 H new ATOM 0 HB2 ALA A 12 9.741 -1.722 -1.760 1.00 0.00 H new ATOM 0 HB3 ALA A 12 9.141 -1.589 -0.090 1.00 0.00 H new ATOM 173 N ILE A 13 9.257 1.236 1.199 1.00 0.00 N ATOM 174 CA ILE A 13 8.490 2.007 2.169 1.00 0.00 C ATOM 175 C ILE A 13 8.292 3.446 1.689 1.00 0.00 C ATOM 176 O ILE A 13 7.171 3.948 1.646 1.00 0.00 O ATOM 177 CB ILE A 13 9.183 2.024 3.547 1.00 0.00 C ATOM 178 CG1 ILE A 13 9.476 0.597 4.024 1.00 0.00 C ATOM 179 CG2 ILE A 13 8.311 2.754 4.552 1.00 0.00 C ATOM 180 CD1 ILE A 13 10.265 0.537 5.316 1.00 0.00 C ATOM 0 H ILE A 13 10.092 0.791 1.581 1.00 0.00 H new ATOM 0 HA ILE A 13 7.519 1.522 2.268 1.00 0.00 H new ATOM 0 HB ILE A 13 10.133 2.550 3.456 1.00 0.00 H new ATOM 0 HG12 ILE A 13 8.533 0.068 4.160 1.00 0.00 H new ATOM 0 HG13 ILE A 13 10.028 0.070 3.246 1.00 0.00 H new ATOM 0 HG21 ILE A 13 8.805 2.763 5.524 1.00 0.00 H new ATOM 0 HG22 ILE A 13 8.150 3.779 4.217 1.00 0.00 H new ATOM 0 HG23 ILE A 13 7.351 2.245 4.638 1.00 0.00 H new ATOM 0 HD11 ILE A 13 10.434 -0.504 5.591 1.00 0.00 H new ATOM 0 HD12 ILE A 13 11.224 1.037 5.180 1.00 0.00 H new ATOM 0 HD13 ILE A 13 9.705 1.035 6.108 1.00 0.00 H new ATOM 192 N GLU A 14 9.386 4.082 1.306 1.00 0.00 N ATOM 193 CA GLU A 14 9.356 5.471 0.869 1.00 0.00 C ATOM 194 C GLU A 14 8.641 5.601 -0.477 1.00 0.00 C ATOM 195 O GLU A 14 7.833 6.508 -0.681 1.00 0.00 O ATOM 196 CB GLU A 14 10.795 6.002 0.799 1.00 0.00 C ATOM 197 CG GLU A 14 10.923 7.474 0.438 1.00 0.00 C ATOM 198 CD GLU A 14 11.005 7.711 -1.056 1.00 0.00 C ATOM 199 OE1 GLU A 14 11.915 7.146 -1.700 1.00 0.00 O ATOM 200 OE2 GLU A 14 10.166 8.459 -1.594 1.00 0.00 O ATOM 0 H GLU A 14 10.313 3.657 1.288 1.00 0.00 H new ATOM 0 HA GLU A 14 8.794 6.070 1.586 1.00 0.00 H new ATOM 0 HB2 GLU A 14 11.274 5.838 1.764 1.00 0.00 H new ATOM 0 HB3 GLU A 14 11.347 5.415 0.065 1.00 0.00 H new ATOM 0 HG2 GLU A 14 10.068 8.017 0.840 1.00 0.00 H new ATOM 0 HG3 GLU A 14 11.813 7.883 0.915 1.00 0.00 H new ATOM 207 N LYS A 15 8.915 4.674 -1.380 1.00 0.00 N ATOM 208 CA LYS A 15 8.346 4.726 -2.719 1.00 0.00 C ATOM 209 C LYS A 15 6.867 4.350 -2.731 1.00 0.00 C ATOM 210 O LYS A 15 6.090 4.912 -3.500 1.00 0.00 O ATOM 211 CB LYS A 15 9.148 3.832 -3.662 1.00 0.00 C ATOM 212 CG LYS A 15 10.430 4.491 -4.146 1.00 0.00 C ATOM 213 CD LYS A 15 10.132 5.578 -5.170 1.00 0.00 C ATOM 214 CE LYS A 15 11.281 6.567 -5.305 1.00 0.00 C ATOM 215 NZ LYS A 15 11.264 7.583 -4.219 1.00 0.00 N ATOM 0 H LYS A 15 9.528 3.876 -1.211 1.00 0.00 H new ATOM 0 HA LYS A 15 8.409 5.756 -3.069 1.00 0.00 H new ATOM 0 HB2 LYS A 15 9.393 2.900 -3.152 1.00 0.00 H new ATOM 0 HB3 LYS A 15 8.531 3.572 -4.522 1.00 0.00 H new ATOM 0 HG2 LYS A 15 10.964 4.921 -3.299 1.00 0.00 H new ATOM 0 HG3 LYS A 15 11.085 3.740 -4.588 1.00 0.00 H new ATOM 0 HD2 LYS A 15 9.934 5.119 -6.138 1.00 0.00 H new ATOM 0 HD3 LYS A 15 9.227 6.112 -4.879 1.00 0.00 H new ATOM 0 HE2 LYS A 15 12.229 6.029 -5.285 1.00 0.00 H new ATOM 0 HE3 LYS A 15 11.219 7.067 -6.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 11.791 8.426 -4.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 10.281 7.848 -4.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 11.708 7.187 -3.366 1.00 0.00 H new ATOM 229 N ALA A 16 6.468 3.419 -1.874 1.00 0.00 N ATOM 230 CA ALA A 16 5.067 3.022 -1.791 1.00 0.00 C ATOM 231 C ALA A 16 4.251 4.133 -1.151 1.00 0.00 C ATOM 232 O ALA A 16 3.087 4.345 -1.495 1.00 0.00 O ATOM 233 CB ALA A 16 4.908 1.728 -1.009 1.00 0.00 C ATOM 0 H ALA A 16 7.089 2.927 -1.231 1.00 0.00 H new ATOM 0 HA ALA A 16 4.700 2.847 -2.802 1.00 0.00 H new ATOM 0 HB1 ALA A 16 3.853 1.457 -0.964 1.00 0.00 H new ATOM 0 HB2 ALA A 16 5.466 0.933 -1.504 1.00 0.00 H new ATOM 0 HB3 ALA A 16 5.291 1.865 0.002 1.00 0.00 H new ATOM 239 N LEU A 17 4.880 4.845 -0.224 1.00 0.00 N ATOM 240 CA LEU A 17 4.264 5.995 0.417 1.00 0.00 C ATOM 241 C LEU A 17 3.983 7.068 -0.631 1.00 0.00 C ATOM 242 O LEU A 17 2.961 7.753 -0.578 1.00 0.00 O ATOM 243 CB LEU A 17 5.192 6.523 1.521 1.00 0.00 C ATOM 244 CG LEU A 17 4.571 7.514 2.510 1.00 0.00 C ATOM 245 CD1 LEU A 17 5.303 7.441 3.837 1.00 0.00 C ATOM 246 CD2 LEU A 17 4.620 8.937 1.969 1.00 0.00 C ATOM 0 H LEU A 17 5.825 4.642 0.101 1.00 0.00 H new ATOM 0 HA LEU A 17 3.318 5.708 0.876 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.574 5.671 2.084 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.049 7.003 1.048 1.00 0.00 H new ATOM 0 HG LEU A 17 3.525 7.242 2.654 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.858 8.148 4.537 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.225 6.432 4.241 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.353 7.691 3.687 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.172 9.617 2.693 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.657 9.224 1.794 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.066 8.989 1.032 1.00 0.00 H new ATOM 258 N ASP A 18 4.893 7.182 -1.596 1.00 0.00 N ATOM 259 CA ASP A 18 4.725 8.100 -2.720 1.00 0.00 C ATOM 260 C ASP A 18 3.489 7.720 -3.530 1.00 0.00 C ATOM 261 O ASP A 18 2.671 8.572 -3.869 1.00 0.00 O ATOM 262 CB ASP A 18 5.972 8.077 -3.612 1.00 0.00 C ATOM 263 CG ASP A 18 5.920 9.091 -4.741 1.00 0.00 C ATOM 264 OD1 ASP A 18 5.258 8.827 -5.767 1.00 0.00 O ATOM 265 OD2 ASP A 18 6.563 10.157 -4.615 1.00 0.00 O ATOM 0 H ASP A 18 5.760 6.646 -1.621 1.00 0.00 H new ATOM 0 HA ASP A 18 4.591 9.110 -2.332 1.00 0.00 H new ATOM 0 HB2 ASP A 18 6.852 8.270 -2.999 1.00 0.00 H new ATOM 0 HB3 ASP A 18 6.090 7.079 -4.034 1.00 0.00 H new ATOM 270 N PHE A 19 3.351 6.429 -3.824 1.00 0.00 N ATOM 271 CA PHE A 19 2.196 5.927 -4.561 1.00 0.00 C ATOM 272 C PHE A 19 0.899 6.164 -3.789 1.00 0.00 C ATOM 273 O PHE A 19 -0.043 6.767 -4.311 1.00 0.00 O ATOM 274 CB PHE A 19 2.342 4.431 -4.861 1.00 0.00 C ATOM 275 CG PHE A 19 3.319 4.111 -5.957 1.00 0.00 C ATOM 276 CD1 PHE A 19 2.977 4.312 -7.284 1.00 0.00 C ATOM 277 CD2 PHE A 19 4.570 3.594 -5.665 1.00 0.00 C ATOM 278 CE1 PHE A 19 3.866 4.007 -8.298 1.00 0.00 C ATOM 279 CE2 PHE A 19 5.465 3.287 -6.674 1.00 0.00 C ATOM 280 CZ PHE A 19 5.110 3.494 -7.993 1.00 0.00 C ATOM 0 H PHE A 19 4.027 5.711 -3.562 1.00 0.00 H new ATOM 0 HA PHE A 19 2.152 6.477 -5.501 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.655 3.919 -3.951 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.365 4.030 -5.133 1.00 0.00 H new ATOM 0 HD1 PHE A 19 2.004 4.712 -7.530 1.00 0.00 H new ATOM 0 HD2 PHE A 19 4.851 3.428 -4.635 1.00 0.00 H new ATOM 0 HE1 PHE A 19 3.587 4.170 -9.328 1.00 0.00 H new ATOM 0 HE2 PHE A 19 6.438 2.887 -6.431 1.00 0.00 H new ATOM 0 HZ PHE A 19 5.805 3.255 -8.784 1.00 0.00 H new ATOM 290 N ILE A 20 0.861 5.700 -2.544 1.00 0.00 N ATOM 291 CA ILE A 20 -0.349 5.769 -1.730 1.00 0.00 C ATOM 292 C ILE A 20 -0.731 7.214 -1.408 1.00 0.00 C ATOM 293 O ILE A 20 -1.886 7.604 -1.565 1.00 0.00 O ATOM 294 CB ILE A 20 -0.186 4.970 -0.415 1.00 0.00 C ATOM 295 CG1 ILE A 20 0.115 3.500 -0.722 1.00 0.00 C ATOM 296 CG2 ILE A 20 -1.438 5.087 0.445 1.00 0.00 C ATOM 297 CD1 ILE A 20 0.371 2.658 0.510 1.00 0.00 C ATOM 0 H ILE A 20 1.658 5.270 -2.074 1.00 0.00 H new ATOM 0 HA ILE A 20 -1.150 5.322 -2.319 1.00 0.00 H new ATOM 0 HB ILE A 20 0.652 5.390 0.142 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -0.724 3.075 -1.273 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.986 3.446 -1.375 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -1.302 4.518 1.365 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -1.615 6.134 0.689 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.294 4.692 -0.103 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.577 1.630 0.212 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.229 3.057 1.052 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -0.508 2.680 1.155 1.00 0.00 H new ATOM 309 N GLY A 21 0.246 8.011 -0.995 1.00 0.00 N ATOM 310 CA GLY A 21 -0.026 9.377 -0.586 1.00 0.00 C ATOM 311 C GLY A 21 -0.283 10.314 -1.754 1.00 0.00 C ATOM 312 O GLY A 21 -0.522 11.507 -1.556 1.00 0.00 O ATOM 0 H GLY A 21 1.226 7.735 -0.936 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -0.893 9.385 0.075 1.00 0.00 H new ATOM 0 HA3 GLY A 21 0.819 9.751 -0.008 1.00 0.00 H new ATOM 316 N GLY A 22 -0.233 9.776 -2.965 1.00 0.00 N ATOM 317 CA GLY A 22 -0.465 10.578 -4.148 1.00 0.00 C ATOM 318 C GLY A 22 0.641 11.587 -4.372 1.00 0.00 C ATOM 319 O GLY A 22 1.804 11.217 -4.528 1.00 0.00 O ATOM 0 H GLY A 22 -0.035 8.793 -3.149 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -0.544 9.927 -5.018 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -1.418 11.099 -4.052 1.00 0.00 H new ATOM 323 N MET A 23 0.289 12.860 -4.375 1.00 0.00 N ATOM 324 CA MET A 23 1.270 13.919 -4.533 1.00 0.00 C ATOM 325 C MET A 23 0.857 15.128 -3.706 1.00 0.00 C ATOM 326 O MET A 23 0.227 16.053 -4.218 1.00 0.00 O ATOM 327 CB MET A 23 1.422 14.302 -6.009 1.00 0.00 C ATOM 328 CG MET A 23 2.503 15.340 -6.281 1.00 0.00 C ATOM 329 SD MET A 23 4.187 14.687 -6.157 1.00 0.00 S ATOM 330 CE MET A 23 4.422 14.576 -4.384 1.00 0.00 C ATOM 0 H MET A 23 -0.672 13.186 -4.270 1.00 0.00 H new ATOM 0 HA MET A 23 2.236 13.560 -4.179 1.00 0.00 H new ATOM 0 HB2 MET A 23 1.645 13.403 -6.584 1.00 0.00 H new ATOM 0 HB3 MET A 23 0.468 14.684 -6.373 1.00 0.00 H new ATOM 0 HG2 MET A 23 2.355 15.752 -7.279 1.00 0.00 H new ATOM 0 HG3 MET A 23 2.389 16.163 -5.576 1.00 0.00 H new ATOM 0 HE1 MET A 23 5.451 14.838 -4.136 1.00 0.00 H new ATOM 0 HE2 MET A 23 3.741 15.264 -3.883 1.00 0.00 H new ATOM 0 HE3 MET A 23 4.217 13.558 -4.053 1.00 0.00 H new ATOM 340 N ASN A 24 1.163 15.071 -2.406 1.00 0.00 N ATOM 341 CA ASN A 24 0.835 16.145 -1.455 1.00 0.00 C ATOM 342 C ASN A 24 -0.676 16.264 -1.241 1.00 0.00 C ATOM 343 O ASN A 24 -1.141 17.065 -0.431 1.00 0.00 O ATOM 344 CB ASN A 24 1.408 17.492 -1.922 1.00 0.00 C ATOM 345 CG ASN A 24 2.921 17.479 -2.055 1.00 0.00 C ATOM 346 OD1 ASN A 24 3.616 16.759 -1.338 1.00 0.00 O ATOM 347 ND2 ASN A 24 3.444 18.279 -2.974 1.00 0.00 N ATOM 0 H ASN A 24 1.645 14.280 -1.980 1.00 0.00 H new ATOM 0 HA ASN A 24 1.295 15.881 -0.503 1.00 0.00 H new ATOM 0 HB2 ASN A 24 0.966 17.755 -2.883 1.00 0.00 H new ATOM 0 HB3 ASN A 24 1.118 18.269 -1.215 1.00 0.00 H new ATOM 0 HD21 ASN A 24 4.455 18.312 -3.106 1.00 0.00 H new ATOM 0 HD22 ASN A 24 2.835 18.861 -3.549 1.00 0.00 H new ATOM 354 N THR A 25 -1.433 15.464 -1.978 1.00 0.00 N ATOM 355 CA THR A 25 -2.884 15.443 -1.896 1.00 0.00 C ATOM 356 C THR A 25 -3.387 14.118 -2.476 1.00 0.00 C ATOM 357 O THR A 25 -2.687 13.489 -3.275 1.00 0.00 O ATOM 358 CB THR A 25 -3.509 16.634 -2.672 1.00 0.00 C ATOM 359 OG1 THR A 25 -2.932 17.871 -2.226 1.00 0.00 O ATOM 360 CG2 THR A 25 -5.015 16.697 -2.473 1.00 0.00 C ATOM 0 H THR A 25 -1.052 14.805 -2.657 1.00 0.00 H new ATOM 0 HA THR A 25 -3.183 15.537 -0.852 1.00 0.00 H new ATOM 0 HB THR A 25 -3.300 16.481 -3.731 1.00 0.00 H new ATOM 0 HG1 THR A 25 -2.514 17.740 -1.350 1.00 0.00 H new ATOM 0 HG21 THR A 25 -5.421 17.542 -3.030 1.00 0.00 H new ATOM 0 HG22 THR A 25 -5.469 15.774 -2.833 1.00 0.00 H new ATOM 0 HG23 THR A 25 -5.237 16.821 -1.413 1.00 0.00 H new ATOM 368 N SER A 26 -4.576 13.692 -2.077 1.00 0.00 N ATOM 369 CA SER A 26 -5.126 12.436 -2.524 1.00 0.00 C ATOM 370 C SER A 26 -6.576 12.665 -2.929 1.00 0.00 C ATOM 371 O SER A 26 -6.996 13.810 -3.118 1.00 0.00 O ATOM 372 CB SER A 26 -5.019 11.392 -1.404 1.00 0.00 C ATOM 373 OG SER A 26 -5.377 10.097 -1.860 1.00 0.00 O ATOM 0 H SER A 26 -5.179 14.210 -1.437 1.00 0.00 H new ATOM 0 HA SER A 26 -4.570 12.058 -3.382 1.00 0.00 H new ATOM 0 HB2 SER A 26 -3.999 11.374 -1.019 1.00 0.00 H new ATOM 0 HB3 SER A 26 -5.667 11.679 -0.576 1.00 0.00 H new ATOM 0 HG SER A 26 -5.657 9.548 -1.098 1.00 0.00 H new ATOM 430 N HIS A 31 -12.456 8.164 -6.728 1.00 0.00 N ATOM 431 CA HIS A 31 -11.347 7.228 -6.600 1.00 0.00 C ATOM 432 C HIS A 31 -11.110 6.502 -7.915 1.00 0.00 C ATOM 433 O HIS A 31 -11.945 5.713 -8.361 1.00 0.00 O ATOM 434 CB HIS A 31 -11.608 6.212 -5.483 1.00 0.00 C ATOM 435 CG HIS A 31 -11.135 6.660 -4.134 1.00 0.00 C ATOM 436 ND1 HIS A 31 -11.173 5.853 -3.017 1.00 0.00 N ATOM 437 CD2 HIS A 31 -10.583 7.828 -3.730 1.00 0.00 C ATOM 438 CE1 HIS A 31 -10.666 6.503 -1.987 1.00 0.00 C ATOM 439 NE2 HIS A 31 -10.298 7.704 -2.393 1.00 0.00 N ATOM 0 HA HIS A 31 -10.456 7.800 -6.343 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -12.678 6.008 -5.433 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -11.116 5.273 -5.737 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -10.401 8.697 -4.346 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -10.569 6.118 -0.983 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -9.871 8.423 -1.808 1.00 0.00 H new ATOM 448 N SER A 32 -9.978 6.774 -8.537 1.00 0.00 N ATOM 449 CA SER A 32 -9.648 6.162 -9.814 1.00 0.00 C ATOM 450 C SER A 32 -8.624 5.056 -9.618 1.00 0.00 C ATOM 451 O SER A 32 -8.961 3.875 -9.537 1.00 0.00 O ATOM 452 CB SER A 32 -9.084 7.222 -10.757 1.00 0.00 C ATOM 453 OG SER A 32 -9.830 8.426 -10.670 1.00 0.00 O ATOM 0 H SER A 32 -9.270 7.415 -8.180 1.00 0.00 H new ATOM 0 HA SER A 32 -10.552 5.733 -10.246 1.00 0.00 H new ATOM 0 HB2 SER A 32 -8.041 7.417 -10.509 1.00 0.00 H new ATOM 0 HB3 SER A 32 -9.104 6.851 -11.782 1.00 0.00 H new ATOM 0 HG SER A 32 -9.450 9.091 -11.281 1.00 0.00 H new ATOM 459 N MET A 33 -7.371 5.460 -9.503 1.00 0.00 N ATOM 460 CA MET A 33 -6.287 4.539 -9.222 1.00 0.00 C ATOM 461 C MET A 33 -6.106 4.438 -7.720 1.00 0.00 C ATOM 462 O MET A 33 -5.388 3.575 -7.216 1.00 0.00 O ATOM 463 CB MET A 33 -4.991 5.021 -9.878 1.00 0.00 C ATOM 464 CG MET A 33 -4.694 6.495 -9.635 1.00 0.00 C ATOM 465 SD MET A 33 -2.932 6.835 -9.545 1.00 0.00 S ATOM 466 CE MET A 33 -2.542 5.975 -8.023 1.00 0.00 C ATOM 0 H MET A 33 -7.078 6.432 -9.602 1.00 0.00 H new ATOM 0 HA MET A 33 -6.530 3.558 -9.631 1.00 0.00 H new ATOM 0 HB2 MET A 33 -4.160 4.425 -9.501 1.00 0.00 H new ATOM 0 HB3 MET A 33 -5.050 4.843 -10.952 1.00 0.00 H new ATOM 0 HG2 MET A 33 -5.135 7.088 -10.436 1.00 0.00 H new ATOM 0 HG3 MET A 33 -5.170 6.810 -8.706 1.00 0.00 H new ATOM 0 HE1 MET A 33 -1.707 6.471 -7.529 1.00 0.00 H new ATOM 0 HE2 MET A 33 -3.411 5.986 -7.366 1.00 0.00 H new ATOM 0 HE3 MET A 33 -2.270 4.944 -8.247 1.00 0.00 H new ATOM 476 N ASP A 34 -6.797 5.326 -7.018 1.00 0.00 N ATOM 477 CA ASP A 34 -6.715 5.425 -5.567 1.00 0.00 C ATOM 478 C ASP A 34 -7.202 4.144 -4.909 1.00 0.00 C ATOM 479 O ASP A 34 -6.874 3.862 -3.762 1.00 0.00 O ATOM 480 CB ASP A 34 -7.566 6.597 -5.075 1.00 0.00 C ATOM 481 CG ASP A 34 -7.418 7.830 -5.943 1.00 0.00 C ATOM 482 OD1 ASP A 34 -8.067 7.884 -7.014 1.00 0.00 O ATOM 483 OD2 ASP A 34 -6.668 8.745 -5.563 1.00 0.00 O ATOM 0 H ASP A 34 -7.433 6.001 -7.441 1.00 0.00 H new ATOM 0 HA ASP A 34 -5.671 5.587 -5.297 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -8.614 6.296 -5.053 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -7.283 6.842 -4.051 1.00 0.00 H new ATOM 488 N GLU A 35 -8.013 3.383 -5.632 1.00 0.00 N ATOM 489 CA GLU A 35 -8.517 2.129 -5.115 1.00 0.00 C ATOM 490 C GLU A 35 -7.760 0.950 -5.723 1.00 0.00 C ATOM 491 O GLU A 35 -7.046 0.235 -5.024 1.00 0.00 O ATOM 492 CB GLU A 35 -10.011 1.975 -5.395 1.00 0.00 C ATOM 493 CG GLU A 35 -10.634 0.857 -4.581 1.00 0.00 C ATOM 494 CD GLU A 35 -12.015 0.464 -5.051 1.00 0.00 C ATOM 495 OE1 GLU A 35 -12.915 1.321 -5.048 1.00 0.00 O ATOM 496 OE2 GLU A 35 -12.211 -0.723 -5.392 1.00 0.00 O ATOM 0 H GLU A 35 -8.331 3.615 -6.573 1.00 0.00 H new ATOM 0 HA GLU A 35 -8.363 2.136 -4.036 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -10.520 2.913 -5.170 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -10.162 1.777 -6.456 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.983 -0.017 -4.621 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -10.689 1.166 -3.537 1.00 0.00 H new ATOM 503 N SER A 36 -7.915 0.773 -7.034 1.00 0.00 N ATOM 504 CA SER A 36 -7.354 -0.374 -7.740 1.00 0.00 C ATOM 505 C SER A 36 -5.843 -0.488 -7.537 1.00 0.00 C ATOM 506 O SER A 36 -5.343 -1.540 -7.135 1.00 0.00 O ATOM 507 CB SER A 36 -7.676 -0.266 -9.229 1.00 0.00 C ATOM 508 OG SER A 36 -9.066 -0.078 -9.430 1.00 0.00 O ATOM 0 H SER A 36 -8.431 1.418 -7.633 1.00 0.00 H new ATOM 0 HA SER A 36 -7.807 -1.275 -7.327 1.00 0.00 H new ATOM 0 HB2 SER A 36 -7.125 0.567 -9.666 1.00 0.00 H new ATOM 0 HB3 SER A 36 -7.348 -1.170 -9.743 1.00 0.00 H new ATOM 0 HG SER A 36 -9.251 -0.009 -10.390 1.00 0.00 H new ATOM 514 N THR A 37 -5.125 0.596 -7.798 1.00 0.00 N ATOM 515 CA THR A 37 -3.675 0.586 -7.697 1.00 0.00 C ATOM 516 C THR A 37 -3.236 0.401 -6.245 1.00 0.00 C ATOM 517 O THR A 37 -2.317 -0.364 -5.961 1.00 0.00 O ATOM 518 CB THR A 37 -3.072 1.885 -8.267 1.00 0.00 C ATOM 519 OG1 THR A 37 -3.611 2.131 -9.575 1.00 0.00 O ATOM 520 CG2 THR A 37 -1.555 1.793 -8.352 1.00 0.00 C ATOM 0 H THR A 37 -5.524 1.491 -8.081 1.00 0.00 H new ATOM 0 HA THR A 37 -3.307 -0.254 -8.286 1.00 0.00 H new ATOM 0 HB THR A 37 -3.330 2.706 -7.598 1.00 0.00 H new ATOM 0 HG1 THR A 37 -2.951 2.613 -10.116 1.00 0.00 H new ATOM 0 HG21 THR A 37 -1.156 2.723 -8.757 1.00 0.00 H new ATOM 0 HG22 THR A 37 -1.144 1.626 -7.356 1.00 0.00 H new ATOM 0 HG23 THR A 37 -1.277 0.964 -9.003 1.00 0.00 H new ATOM 528 N ALA A 38 -3.921 1.080 -5.331 1.00 0.00 N ATOM 529 CA ALA A 38 -3.607 0.982 -3.910 1.00 0.00 C ATOM 530 C ALA A 38 -3.798 -0.445 -3.400 1.00 0.00 C ATOM 531 O ALA A 38 -2.898 -1.016 -2.782 1.00 0.00 O ATOM 532 CB ALA A 38 -4.459 1.952 -3.106 1.00 0.00 C ATOM 0 H ALA A 38 -4.698 1.704 -5.549 1.00 0.00 H new ATOM 0 HA ALA A 38 -2.558 1.249 -3.780 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -4.210 1.864 -2.048 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -4.265 2.971 -3.441 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.513 1.717 -3.252 1.00 0.00 H new ATOM 538 N LYS A 39 -4.968 -1.018 -3.676 1.00 0.00 N ATOM 539 CA LYS A 39 -5.263 -2.394 -3.277 1.00 0.00 C ATOM 540 C LYS A 39 -4.284 -3.359 -3.929 1.00 0.00 C ATOM 541 O LYS A 39 -3.832 -4.318 -3.301 1.00 0.00 O ATOM 542 CB LYS A 39 -6.695 -2.778 -3.665 1.00 0.00 C ATOM 543 CG LYS A 39 -7.769 -2.067 -2.860 1.00 0.00 C ATOM 544 CD LYS A 39 -9.160 -2.427 -3.364 1.00 0.00 C ATOM 545 CE LYS A 39 -10.252 -1.787 -2.522 1.00 0.00 C ATOM 546 NZ LYS A 39 -11.607 -2.035 -3.093 1.00 0.00 N ATOM 0 H LYS A 39 -5.727 -0.552 -4.174 1.00 0.00 H new ATOM 0 HA LYS A 39 -5.162 -2.457 -2.194 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.844 -2.559 -4.722 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -6.817 -3.854 -3.542 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -7.679 -2.338 -1.808 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -7.623 -0.989 -2.925 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -9.265 -2.105 -4.400 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -9.281 -3.510 -3.353 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -10.207 -2.182 -1.507 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -10.077 -0.713 -2.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -12.304 -1.436 -2.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -11.603 -1.807 -4.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -11.860 -3.035 -2.964 1.00 0.00 H new ATOM 560 N GLY A 40 -3.965 -3.095 -5.190 1.00 0.00 N ATOM 561 CA GLY A 40 -3.023 -3.923 -5.915 1.00 0.00 C ATOM 562 C GLY A 40 -1.652 -3.924 -5.273 1.00 0.00 C ATOM 563 O GLY A 40 -1.037 -4.976 -5.120 1.00 0.00 O ATOM 0 H GLY A 40 -4.346 -2.315 -5.726 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -3.401 -4.944 -5.963 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.942 -3.565 -6.941 1.00 0.00 H new ATOM 567 N ILE A 41 -1.183 -2.742 -4.887 1.00 0.00 N ATOM 568 CA ILE A 41 0.124 -2.601 -4.252 1.00 0.00 C ATOM 569 C ILE A 41 0.158 -3.318 -2.904 1.00 0.00 C ATOM 570 O ILE A 41 1.083 -4.078 -2.621 1.00 0.00 O ATOM 571 CB ILE A 41 0.505 -1.113 -4.058 1.00 0.00 C ATOM 572 CG1 ILE A 41 0.699 -0.438 -5.420 1.00 0.00 C ATOM 573 CG2 ILE A 41 1.765 -0.982 -3.212 1.00 0.00 C ATOM 574 CD1 ILE A 41 0.984 1.049 -5.337 1.00 0.00 C ATOM 0 H ILE A 41 -1.690 -1.865 -5.003 1.00 0.00 H new ATOM 0 HA ILE A 41 0.854 -3.061 -4.919 1.00 0.00 H new ATOM 0 HB ILE A 41 -0.308 -0.614 -3.531 1.00 0.00 H new ATOM 0 HG12 ILE A 41 1.522 -0.926 -5.942 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -0.197 -0.593 -6.021 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.013 0.072 -3.089 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.595 -1.431 -2.233 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.590 -1.494 -3.707 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.109 1.452 -6.342 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.152 1.552 -4.845 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.897 1.213 -4.764 1.00 0.00 H new ATOM 586 N LEU A 42 -0.863 -3.094 -2.086 1.00 0.00 N ATOM 587 CA LEU A 42 -0.926 -3.689 -0.753 1.00 0.00 C ATOM 588 C LEU A 42 -0.972 -5.213 -0.835 1.00 0.00 C ATOM 589 O LEU A 42 -0.296 -5.903 -0.070 1.00 0.00 O ATOM 590 CB LEU A 42 -2.149 -3.174 0.011 1.00 0.00 C ATOM 591 CG LEU A 42 -2.214 -1.655 0.194 1.00 0.00 C ATOM 592 CD1 LEU A 42 -3.481 -1.254 0.933 1.00 0.00 C ATOM 593 CD2 LEU A 42 -0.984 -1.149 0.935 1.00 0.00 C ATOM 0 H LEU A 42 -1.661 -2.504 -2.321 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.023 -3.397 -0.216 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -3.048 -3.499 -0.513 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.166 -3.643 0.995 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.234 -1.196 -0.795 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.506 -0.171 1.052 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.352 -1.577 0.363 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.495 -1.727 1.915 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.050 -0.068 1.054 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.931 -1.620 1.917 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.088 -1.397 0.365 1.00 0.00 H new ATOM 605 N LYS A 43 -1.767 -5.734 -1.766 1.00 0.00 N ATOM 606 CA LYS A 43 -1.856 -7.175 -1.963 1.00 0.00 C ATOM 607 C LYS A 43 -0.539 -7.716 -2.506 1.00 0.00 C ATOM 608 O LYS A 43 -0.077 -8.778 -2.093 1.00 0.00 O ATOM 609 CB LYS A 43 -2.999 -7.527 -2.920 1.00 0.00 C ATOM 610 CG LYS A 43 -3.131 -9.020 -3.181 1.00 0.00 C ATOM 611 CD LYS A 43 -4.254 -9.325 -4.160 1.00 0.00 C ATOM 612 CE LYS A 43 -5.607 -8.893 -3.620 1.00 0.00 C ATOM 613 NZ LYS A 43 -6.717 -9.327 -4.508 1.00 0.00 N ATOM 0 H LYS A 43 -2.355 -5.183 -2.391 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.061 -7.636 -0.997 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.936 -7.154 -2.507 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.841 -7.013 -3.868 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.190 -9.405 -3.575 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.318 -9.538 -2.241 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -4.061 -8.817 -5.105 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.272 -10.394 -4.371 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.752 -9.312 -2.624 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -5.628 -7.808 -3.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -7.624 -9.015 -4.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -6.592 -8.907 -5.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -6.713 -10.364 -4.588 1.00 0.00 H new ATOM 627 N TYR A 44 0.058 -6.969 -3.426 1.00 0.00 N ATOM 628 CA TYR A 44 1.338 -7.339 -4.014 1.00 0.00 C ATOM 629 C TYR A 44 2.403 -7.458 -2.931 1.00 0.00 C ATOM 630 O TYR A 44 3.139 -8.444 -2.874 1.00 0.00 O ATOM 631 CB TYR A 44 1.747 -6.288 -5.051 1.00 0.00 C ATOM 632 CG TYR A 44 3.005 -6.626 -5.812 1.00 0.00 C ATOM 633 CD1 TYR A 44 2.976 -7.542 -6.855 1.00 0.00 C ATOM 634 CD2 TYR A 44 4.217 -6.024 -5.497 1.00 0.00 C ATOM 635 CE1 TYR A 44 4.118 -7.854 -7.559 1.00 0.00 C ATOM 636 CE2 TYR A 44 5.366 -6.331 -6.200 1.00 0.00 C ATOM 637 CZ TYR A 44 5.311 -7.246 -7.230 1.00 0.00 C ATOM 638 OH TYR A 44 6.450 -7.558 -7.926 1.00 0.00 O ATOM 0 H TYR A 44 -0.329 -6.095 -3.783 1.00 0.00 H new ATOM 0 HA TYR A 44 1.240 -8.307 -4.506 1.00 0.00 H new ATOM 0 HB2 TYR A 44 0.930 -6.158 -5.761 1.00 0.00 H new ATOM 0 HB3 TYR A 44 1.887 -5.332 -4.547 1.00 0.00 H new ATOM 0 HD1 TYR A 44 2.043 -8.018 -7.119 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.261 -5.306 -4.691 1.00 0.00 H new ATOM 0 HE1 TYR A 44 4.079 -8.572 -8.365 1.00 0.00 H new ATOM 0 HE2 TYR A 44 6.302 -5.857 -5.944 1.00 0.00 H new ATOM 0 HH TYR A 44 6.215 -7.805 -8.845 1.00 0.00 H new ATOM 648 N LEU A 45 2.463 -6.452 -2.069 1.00 0.00 N ATOM 649 CA LEU A 45 3.396 -6.441 -0.944 1.00 0.00 C ATOM 650 C LEU A 45 3.146 -7.628 -0.020 1.00 0.00 C ATOM 651 O LEU A 45 4.083 -8.317 0.392 1.00 0.00 O ATOM 652 CB LEU A 45 3.257 -5.124 -0.170 1.00 0.00 C ATOM 653 CG LEU A 45 4.182 -3.985 -0.617 1.00 0.00 C ATOM 654 CD1 LEU A 45 5.597 -4.248 -0.140 1.00 0.00 C ATOM 655 CD2 LEU A 45 4.160 -3.816 -2.127 1.00 0.00 C ATOM 0 H LEU A 45 1.871 -5.623 -2.127 1.00 0.00 H new ATOM 0 HA LEU A 45 4.411 -6.524 -1.332 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.225 -4.783 -0.254 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.442 -5.324 0.885 1.00 0.00 H new ATOM 0 HG LEU A 45 3.819 -3.059 -0.171 1.00 0.00 H new ATOM 0 HD11 LEU A 45 6.247 -3.434 -0.462 1.00 0.00 H new ATOM 0 HD12 LEU A 45 5.608 -4.312 0.948 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.955 -5.187 -0.563 1.00 0.00 H new ATOM 0 HD21 LEU A 45 4.826 -3.001 -2.412 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.493 -4.739 -2.601 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.145 -3.586 -2.453 1.00 0.00 H new ATOM 667 N HIS A 46 1.875 -7.871 0.282 1.00 0.00 N ATOM 668 CA HIS A 46 1.481 -8.991 1.127 1.00 0.00 C ATOM 669 C HIS A 46 1.923 -10.315 0.506 1.00 0.00 C ATOM 670 O HIS A 46 2.422 -11.198 1.201 1.00 0.00 O ATOM 671 CB HIS A 46 -0.038 -8.990 1.332 1.00 0.00 C ATOM 672 CG HIS A 46 -0.533 -10.090 2.223 1.00 0.00 C ATOM 673 ND1 HIS A 46 -1.460 -11.024 1.821 1.00 0.00 N ATOM 674 CD2 HIS A 46 -0.229 -10.398 3.507 1.00 0.00 C ATOM 675 CE1 HIS A 46 -1.704 -11.857 2.814 1.00 0.00 C ATOM 676 NE2 HIS A 46 -0.970 -11.502 3.848 1.00 0.00 N ATOM 0 H HIS A 46 1.096 -7.302 -0.049 1.00 0.00 H new ATOM 0 HA HIS A 46 1.971 -8.880 2.095 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -0.337 -8.031 1.755 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -0.526 -9.075 0.361 1.00 0.00 H new ATOM 0 HD2 HIS A 46 0.467 -9.872 4.144 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -2.390 -12.690 2.784 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -0.955 -11.971 4.754 1.00 0.00 H new ATOM 685 N ASP A 47 1.742 -10.438 -0.805 1.00 0.00 N ATOM 686 CA ASP A 47 2.093 -11.663 -1.518 1.00 0.00 C ATOM 687 C ASP A 47 3.603 -11.874 -1.499 1.00 0.00 C ATOM 688 O ASP A 47 4.080 -13.000 -1.359 1.00 0.00 O ATOM 689 CB ASP A 47 1.584 -11.611 -2.963 1.00 0.00 C ATOM 690 CG ASP A 47 1.603 -12.971 -3.637 1.00 0.00 C ATOM 691 OD1 ASP A 47 0.598 -13.709 -3.515 1.00 0.00 O ATOM 692 OD2 ASP A 47 2.610 -13.304 -4.299 1.00 0.00 O ATOM 0 H ASP A 47 1.354 -9.704 -1.397 1.00 0.00 H new ATOM 0 HA ASP A 47 1.615 -12.503 -1.013 1.00 0.00 H new ATOM 0 HB2 ASP A 47 0.567 -11.219 -2.972 1.00 0.00 H new ATOM 0 HB3 ASP A 47 2.198 -10.917 -3.536 1.00 0.00 H new ATOM 697 N LEU A 48 4.348 -10.774 -1.619 1.00 0.00 N ATOM 698 CA LEU A 48 5.806 -10.817 -1.552 1.00 0.00 C ATOM 699 C LEU A 48 6.266 -11.444 -0.241 1.00 0.00 C ATOM 700 O LEU A 48 7.237 -12.198 -0.210 1.00 0.00 O ATOM 701 CB LEU A 48 6.402 -9.413 -1.684 1.00 0.00 C ATOM 702 CG LEU A 48 6.166 -8.722 -3.027 1.00 0.00 C ATOM 703 CD1 LEU A 48 6.779 -7.331 -3.021 1.00 0.00 C ATOM 704 CD2 LEU A 48 6.739 -9.551 -4.166 1.00 0.00 C ATOM 0 H LEU A 48 3.962 -9.841 -1.763 1.00 0.00 H new ATOM 0 HA LEU A 48 6.157 -11.428 -2.383 1.00 0.00 H new ATOM 0 HB2 LEU A 48 5.988 -8.786 -0.895 1.00 0.00 H new ATOM 0 HB3 LEU A 48 7.476 -9.475 -1.511 1.00 0.00 H new ATOM 0 HG LEU A 48 5.091 -8.628 -3.181 1.00 0.00 H new ATOM 0 HD11 LEU A 48 6.603 -6.852 -3.984 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.323 -6.736 -2.230 1.00 0.00 H new ATOM 0 HD13 LEU A 48 7.852 -7.407 -2.844 1.00 0.00 H new ATOM 0 HD21 LEU A 48 6.560 -9.041 -5.113 1.00 0.00 H new ATOM 0 HD22 LEU A 48 7.812 -9.679 -4.019 1.00 0.00 H new ATOM 0 HD23 LEU A 48 6.256 -10.528 -4.183 1.00 0.00 H new ATOM 716 N GLY A 49 5.563 -11.134 0.837 1.00 0.00 N ATOM 717 CA GLY A 49 5.879 -11.738 2.112 1.00 0.00 C ATOM 718 C GLY A 49 5.423 -10.902 3.285 1.00 0.00 C ATOM 719 O GLY A 49 4.719 -11.395 4.168 1.00 0.00 O ATOM 0 H GLY A 49 4.782 -10.478 0.851 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.412 -12.721 2.169 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.956 -11.893 2.179 1.00 0.00 H new ATOM 723 N VAL A 50 5.811 -9.637 3.289 1.00 0.00 N ATOM 724 CA VAL A 50 5.516 -8.750 4.394 1.00 0.00 C ATOM 725 C VAL A 50 4.152 -8.081 4.230 1.00 0.00 C ATOM 726 O VAL A 50 3.859 -7.478 3.199 1.00 0.00 O ATOM 727 CB VAL A 50 6.608 -7.672 4.541 1.00 0.00 C ATOM 728 CG1 VAL A 50 7.897 -8.285 5.070 1.00 0.00 C ATOM 729 CG2 VAL A 50 6.866 -6.962 3.216 1.00 0.00 C ATOM 0 H VAL A 50 6.336 -9.202 2.530 1.00 0.00 H new ATOM 0 HA VAL A 50 5.493 -9.360 5.297 1.00 0.00 H new ATOM 0 HB VAL A 50 6.251 -6.932 5.257 1.00 0.00 H new ATOM 0 HG11 VAL A 50 8.656 -7.509 5.167 1.00 0.00 H new ATOM 0 HG12 VAL A 50 7.712 -8.736 6.045 1.00 0.00 H new ATOM 0 HG13 VAL A 50 8.247 -9.050 4.377 1.00 0.00 H new ATOM 0 HG21 VAL A 50 7.641 -6.208 3.352 1.00 0.00 H new ATOM 0 HG22 VAL A 50 7.193 -7.688 2.472 1.00 0.00 H new ATOM 0 HG23 VAL A 50 5.948 -6.482 2.876 1.00 0.00 H new ATOM 739 N PRO A 51 3.289 -8.201 5.243 1.00 0.00 N ATOM 740 CA PRO A 51 1.992 -7.537 5.246 1.00 0.00 C ATOM 741 C PRO A 51 2.107 -6.074 5.672 1.00 0.00 C ATOM 742 O PRO A 51 2.940 -5.723 6.511 1.00 0.00 O ATOM 743 CB PRO A 51 1.200 -8.343 6.271 1.00 0.00 C ATOM 744 CG PRO A 51 2.222 -8.829 7.241 1.00 0.00 C ATOM 745 CD PRO A 51 3.505 -9.000 6.464 1.00 0.00 C ATOM 0 HA PRO A 51 1.528 -7.509 4.260 1.00 0.00 H new ATOM 0 HB2 PRO A 51 0.448 -7.727 6.764 1.00 0.00 H new ATOM 0 HB3 PRO A 51 0.674 -9.174 5.801 1.00 0.00 H new ATOM 0 HG2 PRO A 51 2.354 -8.116 8.055 1.00 0.00 H new ATOM 0 HG3 PRO A 51 1.912 -9.772 7.690 1.00 0.00 H new ATOM 0 HD2 PRO A 51 4.365 -8.641 7.029 1.00 0.00 H new ATOM 0 HD3 PRO A 51 3.693 -10.047 6.228 1.00 0.00 H new ATOM 753 N VAL A 52 1.271 -5.226 5.091 1.00 0.00 N ATOM 754 CA VAL A 52 1.306 -3.799 5.384 1.00 0.00 C ATOM 755 C VAL A 52 0.565 -3.484 6.681 1.00 0.00 C ATOM 756 O VAL A 52 -0.478 -4.073 6.970 1.00 0.00 O ATOM 757 CB VAL A 52 0.709 -2.967 4.228 1.00 0.00 C ATOM 758 CG1 VAL A 52 1.569 -3.098 2.978 1.00 0.00 C ATOM 759 CG2 VAL A 52 -0.725 -3.392 3.935 1.00 0.00 C ATOM 0 H VAL A 52 0.560 -5.501 4.414 1.00 0.00 H new ATOM 0 HA VAL A 52 2.354 -3.525 5.501 1.00 0.00 H new ATOM 0 HB VAL A 52 0.697 -1.921 4.534 1.00 0.00 H new ATOM 0 HG11 VAL A 52 1.134 -2.505 2.173 1.00 0.00 H new ATOM 0 HG12 VAL A 52 2.576 -2.738 3.190 1.00 0.00 H new ATOM 0 HG13 VAL A 52 1.614 -4.144 2.675 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -1.123 -2.791 3.117 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -0.742 -4.445 3.653 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.337 -3.244 4.825 1.00 0.00 H new ATOM 769 N SER A 53 1.123 -2.571 7.466 1.00 0.00 N ATOM 770 CA SER A 53 0.517 -2.171 8.727 1.00 0.00 C ATOM 771 C SER A 53 -0.424 -0.986 8.506 1.00 0.00 C ATOM 772 O SER A 53 0.001 0.078 8.062 1.00 0.00 O ATOM 773 CB SER A 53 1.610 -1.791 9.726 1.00 0.00 C ATOM 774 OG SER A 53 2.683 -2.719 9.682 1.00 0.00 O ATOM 0 H SER A 53 1.998 -2.093 7.249 1.00 0.00 H new ATOM 0 HA SER A 53 -0.059 -3.006 9.126 1.00 0.00 H new ATOM 0 HB2 SER A 53 1.980 -0.790 9.503 1.00 0.00 H new ATOM 0 HB3 SER A 53 1.193 -1.759 10.733 1.00 0.00 H new ATOM 0 HG SER A 53 3.371 -2.455 10.328 1.00 0.00 H new ATOM 780 N PRO A 54 -1.716 -1.158 8.813 1.00 0.00 N ATOM 781 CA PRO A 54 -2.734 -0.128 8.573 1.00 0.00 C ATOM 782 C PRO A 54 -2.517 1.144 9.391 1.00 0.00 C ATOM 783 O PRO A 54 -2.723 2.252 8.896 1.00 0.00 O ATOM 784 CB PRO A 54 -4.046 -0.811 8.984 1.00 0.00 C ATOM 785 CG PRO A 54 -3.646 -1.939 9.870 1.00 0.00 C ATOM 786 CD PRO A 54 -2.288 -2.379 9.400 1.00 0.00 C ATOM 0 HA PRO A 54 -2.714 0.209 7.537 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -4.704 -0.116 9.506 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -4.591 -1.171 8.112 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -3.614 -1.623 10.913 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -4.364 -2.757 9.807 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -1.679 -2.752 10.224 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -2.358 -3.182 8.667 1.00 0.00 H new ATOM 794 N GLU A 55 -2.076 0.987 10.632 1.00 0.00 N ATOM 795 CA GLU A 55 -1.991 2.114 11.552 1.00 0.00 C ATOM 796 C GLU A 55 -0.888 3.093 11.159 1.00 0.00 C ATOM 797 O GLU A 55 -1.072 4.307 11.252 1.00 0.00 O ATOM 798 CB GLU A 55 -1.781 1.619 12.980 1.00 0.00 C ATOM 799 CG GLU A 55 -1.778 2.727 14.018 1.00 0.00 C ATOM 800 CD GLU A 55 -1.837 2.190 15.429 1.00 0.00 C ATOM 801 OE1 GLU A 55 -0.880 1.508 15.847 1.00 0.00 O ATOM 802 OE2 GLU A 55 -2.853 2.427 16.119 1.00 0.00 O ATOM 0 H GLU A 55 -1.773 0.095 11.024 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.937 2.652 11.496 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -2.567 0.905 13.226 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.834 1.082 13.033 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -0.879 3.331 13.899 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.630 3.385 13.846 1.00 0.00 H new ATOM 809 N VAL A 56 0.251 2.577 10.707 1.00 0.00 N ATOM 810 CA VAL A 56 1.351 3.434 10.303 1.00 0.00 C ATOM 811 C VAL A 56 0.986 4.228 9.046 1.00 0.00 C ATOM 812 O VAL A 56 1.492 5.328 8.821 1.00 0.00 O ATOM 813 CB VAL A 56 2.642 2.623 10.068 1.00 0.00 C ATOM 814 CG1 VAL A 56 3.036 1.870 11.328 1.00 0.00 C ATOM 815 CG2 VAL A 56 2.501 1.667 8.894 1.00 0.00 C ATOM 0 H VAL A 56 0.432 1.578 10.613 1.00 0.00 H new ATOM 0 HA VAL A 56 1.538 4.134 11.117 1.00 0.00 H new ATOM 0 HB VAL A 56 3.434 3.330 9.821 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.949 1.304 11.143 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.207 2.580 12.137 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.235 1.186 11.608 1.00 0.00 H new ATOM 0 HG21 VAL A 56 3.431 1.114 8.761 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.688 0.968 9.090 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.282 2.233 7.988 1.00 0.00 H new ATOM 825 N VAL A 57 0.082 3.670 8.246 1.00 0.00 N ATOM 826 CA VAL A 57 -0.431 4.358 7.072 1.00 0.00 C ATOM 827 C VAL A 57 -1.289 5.541 7.507 1.00 0.00 C ATOM 828 O VAL A 57 -1.159 6.647 6.981 1.00 0.00 O ATOM 829 CB VAL A 57 -1.261 3.405 6.183 1.00 0.00 C ATOM 830 CG1 VAL A 57 -1.817 4.134 4.972 1.00 0.00 C ATOM 831 CG2 VAL A 57 -0.425 2.212 5.748 1.00 0.00 C ATOM 0 H VAL A 57 -0.310 2.740 8.393 1.00 0.00 H new ATOM 0 HA VAL A 57 0.416 4.714 6.486 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.101 3.041 6.775 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.397 3.440 4.364 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.459 4.951 5.302 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -0.995 4.536 4.380 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.028 1.554 5.123 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.438 2.560 5.181 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.085 1.666 6.628 1.00 0.00 H new ATOM 841 N VAL A 58 -2.143 5.303 8.499 1.00 0.00 N ATOM 842 CA VAL A 58 -2.986 6.355 9.059 1.00 0.00 C ATOM 843 C VAL A 58 -2.128 7.452 9.682 1.00 0.00 C ATOM 844 O VAL A 58 -2.404 8.641 9.516 1.00 0.00 O ATOM 845 CB VAL A 58 -3.953 5.800 10.128 1.00 0.00 C ATOM 846 CG1 VAL A 58 -4.853 6.899 10.677 1.00 0.00 C ATOM 847 CG2 VAL A 58 -4.787 4.669 9.555 1.00 0.00 C ATOM 0 H VAL A 58 -2.269 4.388 8.932 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.574 6.768 8.239 1.00 0.00 H new ATOM 0 HB VAL A 58 -3.355 5.410 10.952 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -5.523 6.480 11.427 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.241 7.677 11.132 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.440 7.328 9.865 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -5.462 4.290 10.322 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -5.368 5.038 8.710 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -4.130 3.866 9.221 1.00 0.00 H new ATOM 857 N ALA A 59 -1.082 7.040 10.393 1.00 0.00 N ATOM 858 CA ALA A 59 -0.156 7.975 11.019 1.00 0.00 C ATOM 859 C ALA A 59 0.469 8.898 9.981 1.00 0.00 C ATOM 860 O ALA A 59 0.636 10.098 10.218 1.00 0.00 O ATOM 861 CB ALA A 59 0.923 7.219 11.780 1.00 0.00 C ATOM 0 H ALA A 59 -0.855 6.058 10.550 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.715 8.590 11.724 1.00 0.00 H new ATOM 0 HB1 ALA A 59 1.608 7.930 12.243 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.461 6.605 12.553 1.00 0.00 H new ATOM 0 HB3 ALA A 59 1.475 6.580 11.090 1.00 0.00 H new ATOM 867 N ARG A 60 0.797 8.345 8.820 1.00 0.00 N ATOM 868 CA ARG A 60 1.366 9.147 7.753 1.00 0.00 C ATOM 869 C ARG A 60 0.298 10.029 7.130 1.00 0.00 C ATOM 870 O ARG A 60 0.579 11.147 6.725 1.00 0.00 O ATOM 871 CB ARG A 60 2.010 8.277 6.676 1.00 0.00 C ATOM 872 CG ARG A 60 2.892 9.075 5.726 1.00 0.00 C ATOM 873 CD ARG A 60 3.995 9.780 6.491 1.00 0.00 C ATOM 874 NE ARG A 60 4.943 10.483 5.634 1.00 0.00 N ATOM 875 CZ ARG A 60 6.261 10.456 5.826 1.00 0.00 C ATOM 876 NH1 ARG A 60 6.780 9.691 6.780 1.00 0.00 N ATOM 877 NH2 ARG A 60 7.056 11.188 5.061 1.00 0.00 N ATOM 0 H ARG A 60 0.679 7.356 8.598 1.00 0.00 H new ATOM 0 HA ARG A 60 2.143 9.772 8.192 1.00 0.00 H new ATOM 0 HB2 ARG A 60 2.607 7.499 7.152 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.229 7.775 6.105 1.00 0.00 H new ATOM 0 HG2 ARG A 60 3.327 8.410 4.979 1.00 0.00 H new ATOM 0 HG3 ARG A 60 2.289 9.807 5.189 1.00 0.00 H new ATOM 0 HD2 ARG A 60 3.547 10.492 7.184 1.00 0.00 H new ATOM 0 HD3 ARG A 60 4.535 9.048 7.091 1.00 0.00 H new ATOM 0 HE ARG A 60 4.579 11.022 4.849 1.00 0.00 H new ATOM 0 HH11 ARG A 60 6.169 9.123 7.367 1.00 0.00 H new ATOM 0 HH12 ARG A 60 7.789 9.672 6.925 1.00 0.00 H new ATOM 0 HH21 ARG A 60 6.659 11.772 4.325 1.00 0.00 H new ATOM 0 HH22 ARG A 60 8.065 11.168 5.208 1.00 0.00 H new ATOM 891 N GLY A 61 -0.925 9.524 7.066 1.00 0.00 N ATOM 892 CA GLY A 61 -2.021 10.300 6.516 1.00 0.00 C ATOM 893 C GLY A 61 -2.234 11.602 7.259 1.00 0.00 C ATOM 894 O GLY A 61 -2.330 12.668 6.649 1.00 0.00 O ATOM 0 H GLY A 61 -1.180 8.589 7.385 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -1.822 10.512 5.466 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -2.936 9.709 6.554 1.00 0.00 H new ATOM 898 N GLU A 62 -2.285 11.515 8.581 1.00 0.00 N ATOM 899 CA GLU A 62 -2.497 12.687 9.423 1.00 0.00 C ATOM 900 C GLU A 62 -1.259 13.590 9.459 1.00 0.00 C ATOM 901 O GLU A 62 -1.371 14.797 9.683 1.00 0.00 O ATOM 902 CB GLU A 62 -2.889 12.250 10.837 1.00 0.00 C ATOM 903 CG GLU A 62 -1.985 11.173 11.410 1.00 0.00 C ATOM 904 CD GLU A 62 -2.371 10.765 12.812 1.00 0.00 C ATOM 905 OE1 GLU A 62 -3.355 10.010 12.969 1.00 0.00 O ATOM 906 OE2 GLU A 62 -1.689 11.191 13.768 1.00 0.00 O ATOM 0 H GLU A 62 -2.182 10.641 9.097 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.310 13.270 8.991 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.869 13.118 11.496 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.915 11.883 10.824 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -2.015 10.298 10.761 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -0.956 11.533 11.412 1.00 0.00 H new ATOM 913 N GLN A 63 -0.084 13.008 9.240 1.00 0.00 N ATOM 914 CA GLN A 63 1.157 13.782 9.216 1.00 0.00 C ATOM 915 C GLN A 63 1.377 14.448 7.860 1.00 0.00 C ATOM 916 O GLN A 63 1.562 15.662 7.768 1.00 0.00 O ATOM 917 CB GLN A 63 2.361 12.885 9.520 1.00 0.00 C ATOM 918 CG GLN A 63 3.694 13.593 9.322 1.00 0.00 C ATOM 919 CD GLN A 63 4.846 12.641 9.078 1.00 0.00 C ATOM 920 OE1 GLN A 63 4.878 11.526 9.599 1.00 0.00 O ATOM 921 NE2 GLN A 63 5.785 13.058 8.243 1.00 0.00 N ATOM 0 H GLN A 63 0.037 12.008 9.077 1.00 0.00 H new ATOM 0 HA GLN A 63 1.064 14.553 9.981 1.00 0.00 H new ATOM 0 HB2 GLN A 63 2.293 12.531 10.549 1.00 0.00 H new ATOM 0 HB3 GLN A 63 2.324 12.006 8.877 1.00 0.00 H new ATOM 0 HG2 GLN A 63 3.612 14.278 8.478 1.00 0.00 H new ATOM 0 HG3 GLN A 63 3.911 14.197 10.203 1.00 0.00 H new ATOM 0 HE21 GLN A 63 5.724 13.989 7.831 1.00 0.00 H new ATOM 0 HE22 GLN A 63 6.569 12.448 8.012 1.00 0.00 H new ATOM 930 N GLU A 64 1.344 13.634 6.822 1.00 0.00 N ATOM 931 CA GLU A 64 1.763 14.037 5.489 1.00 0.00 C ATOM 932 C GLU A 64 0.679 14.871 4.806 1.00 0.00 C ATOM 933 O GLU A 64 0.968 15.689 3.928 1.00 0.00 O ATOM 934 CB GLU A 64 2.072 12.778 4.671 1.00 0.00 C ATOM 935 CG GLU A 64 2.989 12.993 3.480 1.00 0.00 C ATOM 936 CD GLU A 64 4.384 13.435 3.872 1.00 0.00 C ATOM 937 OE1 GLU A 64 4.542 14.567 4.372 1.00 0.00 O ATOM 938 OE2 GLU A 64 5.331 12.648 3.678 1.00 0.00 O ATOM 0 H GLU A 64 1.024 12.667 6.878 1.00 0.00 H new ATOM 0 HA GLU A 64 2.656 14.658 5.561 1.00 0.00 H new ATOM 0 HB2 GLU A 64 2.525 12.038 5.330 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.133 12.355 4.315 1.00 0.00 H new ATOM 0 HG2 GLU A 64 3.055 12.067 2.909 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.549 13.742 2.822 1.00 0.00 H new ATOM 945 N GLY A 65 -0.566 14.666 5.214 1.00 0.00 N ATOM 946 CA GLY A 65 -1.665 15.431 4.658 1.00 0.00 C ATOM 947 C GLY A 65 -2.427 14.661 3.602 1.00 0.00 C ATOM 948 O GLY A 65 -2.486 15.073 2.444 1.00 0.00 O ATOM 0 H GLY A 65 -0.835 13.982 5.921 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -2.347 15.717 5.459 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -1.279 16.353 4.224 1.00 0.00 H new ATOM 952 N TRP A 66 -3.001 13.536 3.997 1.00 0.00 N ATOM 953 CA TRP A 66 -3.793 12.725 3.085 1.00 0.00 C ATOM 954 C TRP A 66 -5.276 12.944 3.368 1.00 0.00 C ATOM 955 O TRP A 66 -5.640 13.492 4.410 1.00 0.00 O ATOM 956 CB TRP A 66 -3.448 11.235 3.225 1.00 0.00 C ATOM 957 CG TRP A 66 -1.995 10.904 3.013 1.00 0.00 C ATOM 958 CD1 TRP A 66 -0.993 11.753 2.629 1.00 0.00 C ATOM 959 CD2 TRP A 66 -1.384 9.618 3.174 1.00 0.00 C ATOM 960 NE1 TRP A 66 0.198 11.074 2.557 1.00 0.00 N ATOM 961 CE2 TRP A 66 -0.014 9.763 2.885 1.00 0.00 C ATOM 962 CE3 TRP A 66 -1.864 8.358 3.539 1.00 0.00 C ATOM 963 CZ2 TRP A 66 0.879 8.697 2.955 1.00 0.00 C ATOM 964 CZ3 TRP A 66 -0.978 7.301 3.604 1.00 0.00 C ATOM 965 CH2 TRP A 66 0.381 7.476 3.314 1.00 0.00 C ATOM 0 H TRP A 66 -2.933 13.163 4.944 1.00 0.00 H new ATOM 0 HA TRP A 66 -3.563 13.029 2.064 1.00 0.00 H new ATOM 0 HB2 TRP A 66 -3.742 10.900 4.220 1.00 0.00 H new ATOM 0 HB3 TRP A 66 -4.044 10.669 2.509 1.00 0.00 H new ATOM 0 HD1 TRP A 66 -1.120 12.804 2.414 1.00 0.00 H new ATOM 0 HE1 TRP A 66 1.097 11.482 2.300 1.00 0.00 H new ATOM 0 HE3 TRP A 66 -2.910 8.213 3.766 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 1.928 8.830 2.734 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 -1.339 6.322 3.883 1.00 0.00 H new ATOM 0 HH2 TRP A 66 1.049 6.629 3.375 1.00 0.00 H new ATOM 976 N ASN A 67 -6.128 12.516 2.448 1.00 0.00 N ATOM 977 CA ASN A 67 -7.567 12.701 2.601 1.00 0.00 C ATOM 978 C ASN A 67 -8.117 11.777 3.681 1.00 0.00 C ATOM 979 O ASN A 67 -7.740 10.605 3.753 1.00 0.00 O ATOM 980 CB ASN A 67 -8.299 12.437 1.282 1.00 0.00 C ATOM 981 CG ASN A 67 -7.961 13.448 0.198 1.00 0.00 C ATOM 982 OD1 ASN A 67 -6.841 13.949 0.118 1.00 0.00 O ATOM 983 ND2 ASN A 67 -8.933 13.752 -0.647 1.00 0.00 N ATOM 0 H ASN A 67 -5.851 12.040 1.590 1.00 0.00 H new ATOM 0 HA ASN A 67 -7.736 13.737 2.896 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -8.048 11.437 0.928 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -9.374 12.451 1.461 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -8.766 14.423 -1.397 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -9.850 13.315 -0.549 1.00 0.00 H new ATOM 990 N PRO A 68 -9.019 12.294 4.531 1.00 0.00 N ATOM 991 CA PRO A 68 -9.630 11.523 5.621 1.00 0.00 C ATOM 992 C PRO A 68 -10.332 10.264 5.125 1.00 0.00 C ATOM 993 O PRO A 68 -10.185 9.188 5.709 1.00 0.00 O ATOM 994 CB PRO A 68 -10.650 12.492 6.224 1.00 0.00 C ATOM 995 CG PRO A 68 -10.169 13.847 5.839 1.00 0.00 C ATOM 996 CD PRO A 68 -9.506 13.685 4.502 1.00 0.00 C ATOM 0 HA PRO A 68 -8.881 11.173 6.331 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -11.651 12.303 5.836 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -10.703 12.385 7.307 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -10.997 14.553 5.781 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -9.468 14.237 6.577 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -10.207 13.849 3.683 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -8.689 14.394 4.369 1.00 0.00 H new ATOM 1004 N GLU A 69 -11.091 10.402 4.048 1.00 0.00 N ATOM 1005 CA GLU A 69 -11.807 9.277 3.467 1.00 0.00 C ATOM 1006 C GLU A 69 -10.827 8.235 2.959 1.00 0.00 C ATOM 1007 O GLU A 69 -10.979 7.044 3.216 1.00 0.00 O ATOM 1008 CB GLU A 69 -12.708 9.731 2.316 1.00 0.00 C ATOM 1009 CG GLU A 69 -13.756 10.767 2.702 1.00 0.00 C ATOM 1010 CD GLU A 69 -13.193 12.169 2.839 1.00 0.00 C ATOM 1011 OE1 GLU A 69 -12.005 12.383 2.498 1.00 0.00 O ATOM 1012 OE2 GLU A 69 -13.936 13.069 3.270 1.00 0.00 O ATOM 0 H GLU A 69 -11.227 11.286 3.557 1.00 0.00 H new ATOM 0 HA GLU A 69 -12.431 8.841 4.248 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -12.083 10.143 1.524 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -13.214 8.859 1.902 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -14.546 10.772 1.951 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -14.216 10.474 3.646 1.00 0.00 H new ATOM 1019 N PHE A 70 -9.806 8.700 2.254 1.00 0.00 N ATOM 1020 CA PHE A 70 -8.809 7.815 1.676 1.00 0.00 C ATOM 1021 C PHE A 70 -8.083 7.047 2.772 1.00 0.00 C ATOM 1022 O PHE A 70 -8.065 5.818 2.773 1.00 0.00 O ATOM 1023 CB PHE A 70 -7.813 8.627 0.841 1.00 0.00 C ATOM 1024 CG PHE A 70 -6.766 7.793 0.160 1.00 0.00 C ATOM 1025 CD1 PHE A 70 -7.062 7.102 -1.004 1.00 0.00 C ATOM 1026 CD2 PHE A 70 -5.484 7.710 0.676 1.00 0.00 C ATOM 1027 CE1 PHE A 70 -6.101 6.340 -1.638 1.00 0.00 C ATOM 1028 CE2 PHE A 70 -4.519 6.949 0.048 1.00 0.00 C ATOM 1029 CZ PHE A 70 -4.826 6.264 -1.111 1.00 0.00 C ATOM 0 H PHE A 70 -9.647 9.690 2.069 1.00 0.00 H new ATOM 0 HA PHE A 70 -9.308 7.096 1.027 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -8.362 9.191 0.086 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -7.321 9.354 1.487 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -8.057 7.160 -1.420 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -5.236 8.247 1.580 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -6.345 5.805 -2.544 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -3.524 6.889 0.463 1.00 0.00 H new ATOM 0 HZ PHE A 70 -4.071 5.670 -1.605 1.00 0.00 H new ATOM 1039 N THR A 71 -7.529 7.787 3.723 1.00 0.00 N ATOM 1040 CA THR A 71 -6.745 7.210 4.807 1.00 0.00 C ATOM 1041 C THR A 71 -7.555 6.191 5.611 1.00 0.00 C ATOM 1042 O THR A 71 -7.039 5.143 6.000 1.00 0.00 O ATOM 1043 CB THR A 71 -6.233 8.318 5.748 1.00 0.00 C ATOM 1044 OG1 THR A 71 -5.595 9.348 4.979 1.00 0.00 O ATOM 1045 CG2 THR A 71 -5.245 7.761 6.763 1.00 0.00 C ATOM 0 H THR A 71 -7.610 8.803 3.765 1.00 0.00 H new ATOM 0 HA THR A 71 -5.898 6.693 4.356 1.00 0.00 H new ATOM 0 HB THR A 71 -7.087 8.730 6.286 1.00 0.00 H new ATOM 0 HG1 THR A 71 -6.277 9.922 4.571 1.00 0.00 H new ATOM 0 HG21 THR A 71 -4.900 8.564 7.414 1.00 0.00 H new ATOM 0 HG22 THR A 71 -5.733 6.993 7.362 1.00 0.00 H new ATOM 0 HG23 THR A 71 -4.393 7.326 6.241 1.00 0.00 H new ATOM 1053 N LYS A 72 -8.825 6.499 5.847 1.00 0.00 N ATOM 1054 CA LYS A 72 -9.685 5.622 6.628 1.00 0.00 C ATOM 1055 C LYS A 72 -9.946 4.313 5.887 1.00 0.00 C ATOM 1056 O LYS A 72 -9.842 3.231 6.468 1.00 0.00 O ATOM 1057 CB LYS A 72 -11.012 6.313 6.942 1.00 0.00 C ATOM 1058 CG LYS A 72 -11.885 5.544 7.927 1.00 0.00 C ATOM 1059 CD LYS A 72 -11.274 5.518 9.322 1.00 0.00 C ATOM 1060 CE LYS A 72 -11.208 6.912 9.927 1.00 0.00 C ATOM 1061 NZ LYS A 72 -10.665 6.897 11.311 1.00 0.00 N ATOM 0 H LYS A 72 -9.280 7.347 5.509 1.00 0.00 H new ATOM 0 HA LYS A 72 -9.172 5.396 7.563 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -10.808 7.304 7.347 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -11.566 6.456 6.014 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -12.873 6.002 7.971 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -12.022 4.523 7.571 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -11.865 4.868 9.967 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -10.271 5.093 9.273 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -10.584 7.549 9.300 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -12.206 7.351 9.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -10.638 7.867 11.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -11.274 6.310 11.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -9.703 6.503 11.302 1.00 0.00 H new ATOM 1075 N LYS A 73 -10.276 4.414 4.605 1.00 0.00 N ATOM 1076 CA LYS A 73 -10.583 3.244 3.805 1.00 0.00 C ATOM 1077 C LYS A 73 -9.349 2.374 3.613 1.00 0.00 C ATOM 1078 O LYS A 73 -9.422 1.151 3.736 1.00 0.00 O ATOM 1079 CB LYS A 73 -11.146 3.666 2.450 1.00 0.00 C ATOM 1080 CG LYS A 73 -12.423 4.480 2.548 1.00 0.00 C ATOM 1081 CD LYS A 73 -13.011 4.763 1.177 1.00 0.00 C ATOM 1082 CE LYS A 73 -14.148 5.767 1.255 1.00 0.00 C ATOM 1083 NZ LYS A 73 -15.173 5.375 2.259 1.00 0.00 N ATOM 0 H LYS A 73 -10.337 5.298 4.100 1.00 0.00 H new ATOM 0 HA LYS A 73 -11.333 2.657 4.335 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -10.393 4.249 1.919 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -11.338 2.775 1.853 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -13.153 3.942 3.154 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -12.217 5.421 3.058 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -12.232 5.145 0.518 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -13.374 3.834 0.737 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -13.748 6.748 1.510 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -14.617 5.859 0.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -16.013 5.978 2.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -15.440 4.380 2.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -14.784 5.492 3.216 1.00 0.00 H new ATOM 1097 N VAL A 74 -8.213 3.005 3.331 1.00 0.00 N ATOM 1098 CA VAL A 74 -6.967 2.272 3.143 1.00 0.00 C ATOM 1099 C VAL A 74 -6.588 1.529 4.421 1.00 0.00 C ATOM 1100 O VAL A 74 -6.070 0.415 4.372 1.00 0.00 O ATOM 1101 CB VAL A 74 -5.809 3.208 2.721 1.00 0.00 C ATOM 1102 CG1 VAL A 74 -4.497 2.443 2.607 1.00 0.00 C ATOM 1103 CG2 VAL A 74 -6.132 3.898 1.406 1.00 0.00 C ATOM 0 H VAL A 74 -8.130 4.016 3.228 1.00 0.00 H new ATOM 0 HA VAL A 74 -7.131 1.553 2.340 1.00 0.00 H new ATOM 0 HB VAL A 74 -5.694 3.966 3.496 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.702 3.127 2.309 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -4.251 1.998 3.571 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -4.598 1.656 1.859 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -5.306 4.552 1.126 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -6.281 3.148 0.629 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -7.041 4.489 1.519 1.00 0.00 H new ATOM 1113 N ALA A 75 -6.868 2.148 5.565 1.00 0.00 N ATOM 1114 CA ALA A 75 -6.645 1.508 6.851 1.00 0.00 C ATOM 1115 C ALA A 75 -7.451 0.218 6.948 1.00 0.00 C ATOM 1116 O ALA A 75 -6.962 -0.797 7.443 1.00 0.00 O ATOM 1117 CB ALA A 75 -7.015 2.449 7.983 1.00 0.00 C ATOM 0 H ALA A 75 -7.250 3.092 5.624 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.586 1.263 6.937 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.842 1.954 8.939 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.402 3.348 7.924 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -8.067 2.721 7.901 1.00 0.00 H new ATOM 1123 N GLY A 76 -8.684 0.266 6.455 1.00 0.00 N ATOM 1124 CA GLY A 76 -9.528 -0.911 6.436 1.00 0.00 C ATOM 1125 C GLY A 76 -8.979 -1.991 5.527 1.00 0.00 C ATOM 1126 O GLY A 76 -8.989 -3.172 5.878 1.00 0.00 O ATOM 0 H GLY A 76 -9.114 1.105 6.066 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -9.624 -1.304 7.448 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -10.529 -0.634 6.105 1.00 0.00 H new ATOM 1130 N TRP A 77 -8.489 -1.582 4.359 1.00 0.00 N ATOM 1131 CA TRP A 77 -7.913 -2.520 3.401 1.00 0.00 C ATOM 1132 C TRP A 77 -6.668 -3.168 3.988 1.00 0.00 C ATOM 1133 O TRP A 77 -6.524 -4.390 3.974 1.00 0.00 O ATOM 1134 CB TRP A 77 -7.546 -1.823 2.083 1.00 0.00 C ATOM 1135 CG TRP A 77 -8.658 -1.018 1.480 1.00 0.00 C ATOM 1136 CD1 TRP A 77 -9.998 -1.179 1.687 1.00 0.00 C ATOM 1137 CD2 TRP A 77 -8.524 0.067 0.551 1.00 0.00 C ATOM 1138 NE1 TRP A 77 -10.701 -0.241 0.972 1.00 0.00 N ATOM 1139 CE2 TRP A 77 -9.820 0.531 0.262 1.00 0.00 C ATOM 1140 CE3 TRP A 77 -7.431 0.697 -0.056 1.00 0.00 C ATOM 1141 CZ2 TRP A 77 -10.056 1.593 -0.607 1.00 0.00 C ATOM 1142 CZ3 TRP A 77 -7.667 1.751 -0.920 1.00 0.00 C ATOM 1143 CH2 TRP A 77 -8.971 2.191 -1.188 1.00 0.00 C ATOM 0 H TRP A 77 -8.480 -0.609 4.054 1.00 0.00 H new ATOM 0 HA TRP A 77 -8.665 -3.281 3.192 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -6.692 -1.168 2.257 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -7.227 -2.577 1.363 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -10.440 -1.934 2.320 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -11.716 -0.136 0.970 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -6.423 0.366 0.146 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -11.060 1.933 -0.815 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -6.832 2.244 -1.396 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -9.122 3.018 -1.866 1.00 0.00 H new ATOM 1154 N ALA A 78 -5.781 -2.334 4.523 1.00 0.00 N ATOM 1155 CA ALA A 78 -4.527 -2.805 5.099 1.00 0.00 C ATOM 1156 C ALA A 78 -4.772 -3.688 6.316 1.00 0.00 C ATOM 1157 O ALA A 78 -4.035 -4.643 6.552 1.00 0.00 O ATOM 1158 CB ALA A 78 -3.639 -1.628 5.467 1.00 0.00 C ATOM 0 H ALA A 78 -5.909 -1.323 4.569 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.019 -3.408 4.347 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.707 -1.996 5.896 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -3.422 -1.043 4.573 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -4.151 -1.000 6.196 1.00 0.00 H new ATOM 1164 N GLU A 79 -5.808 -3.365 7.086 1.00 0.00 N ATOM 1165 CA GLU A 79 -6.199 -4.184 8.230 1.00 0.00 C ATOM 1166 C GLU A 79 -6.530 -5.600 7.773 1.00 0.00 C ATOM 1167 O GLU A 79 -6.119 -6.577 8.396 1.00 0.00 O ATOM 1168 CB GLU A 79 -7.402 -3.558 8.944 1.00 0.00 C ATOM 1169 CG GLU A 79 -7.925 -4.373 10.122 1.00 0.00 C ATOM 1170 CD GLU A 79 -6.872 -4.639 11.182 1.00 0.00 C ATOM 1171 OE1 GLU A 79 -6.361 -3.669 11.777 1.00 0.00 O ATOM 1172 OE2 GLU A 79 -6.573 -5.821 11.443 1.00 0.00 O ATOM 0 H GLU A 79 -6.392 -2.542 6.938 1.00 0.00 H new ATOM 0 HA GLU A 79 -5.365 -4.230 8.931 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -7.123 -2.566 9.299 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -8.208 -3.424 8.223 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -8.763 -3.845 10.577 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -8.309 -5.325 9.755 1.00 0.00 H new ATOM 1179 N LYS A 80 -7.256 -5.697 6.666 1.00 0.00 N ATOM 1180 CA LYS A 80 -7.590 -6.990 6.085 1.00 0.00 C ATOM 1181 C LYS A 80 -6.324 -7.689 5.601 1.00 0.00 C ATOM 1182 O LYS A 80 -6.118 -8.871 5.863 1.00 0.00 O ATOM 1183 CB LYS A 80 -8.570 -6.817 4.923 1.00 0.00 C ATOM 1184 CG LYS A 80 -9.919 -6.248 5.336 1.00 0.00 C ATOM 1185 CD LYS A 80 -10.785 -5.954 4.122 1.00 0.00 C ATOM 1186 CE LYS A 80 -12.127 -5.354 4.509 1.00 0.00 C ATOM 1187 NZ LYS A 80 -12.995 -6.324 5.227 1.00 0.00 N ATOM 0 H LYS A 80 -7.624 -4.896 6.153 1.00 0.00 H new ATOM 0 HA LYS A 80 -8.064 -7.603 6.851 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -8.122 -6.160 4.177 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -8.725 -7.784 4.444 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -10.431 -6.955 5.989 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -9.771 -5.334 5.911 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -10.259 -5.267 3.460 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -10.948 -6.875 3.562 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -11.963 -4.481 5.140 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -12.639 -5.007 3.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -13.928 -5.897 5.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -13.106 -7.183 4.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -12.559 -6.572 6.138 1.00 0.00 H new ATOM 1201 N VAL A 81 -5.474 -6.939 4.913 1.00 0.00 N ATOM 1202 CA VAL A 81 -4.217 -7.469 4.394 1.00 0.00 C ATOM 1203 C VAL A 81 -3.332 -8.014 5.517 1.00 0.00 C ATOM 1204 O VAL A 81 -2.746 -9.090 5.392 1.00 0.00 O ATOM 1205 CB VAL A 81 -3.442 -6.385 3.608 1.00 0.00 C ATOM 1206 CG1 VAL A 81 -2.076 -6.891 3.169 1.00 0.00 C ATOM 1207 CG2 VAL A 81 -4.245 -5.925 2.404 1.00 0.00 C ATOM 0 H VAL A 81 -5.632 -5.954 4.699 1.00 0.00 H new ATOM 0 HA VAL A 81 -4.470 -8.288 3.721 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.289 -5.536 4.274 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -1.557 -6.106 2.619 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -1.491 -7.167 4.046 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -2.200 -7.763 2.526 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -3.685 -5.163 1.863 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -4.432 -6.773 1.746 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -5.195 -5.508 2.738 1.00 0.00 H new ATOM 1217 N ALA A 82 -3.251 -7.274 6.615 1.00 0.00 N ATOM 1218 CA ALA A 82 -2.398 -7.649 7.736 1.00 0.00 C ATOM 1219 C ALA A 82 -2.942 -8.857 8.496 1.00 0.00 C ATOM 1220 O ALA A 82 -2.177 -9.626 9.077 1.00 0.00 O ATOM 1221 CB ALA A 82 -2.228 -6.470 8.680 1.00 0.00 C ATOM 0 H ALA A 82 -3.768 -6.406 6.754 1.00 0.00 H new ATOM 0 HA ALA A 82 -1.428 -7.932 7.327 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -1.589 -6.761 9.514 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -1.770 -5.638 8.145 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -3.203 -6.164 9.059 1.00 0.00 H new ATOM 1227 N SER A 83 -4.257 -9.017 8.497 1.00 0.00 N ATOM 1228 CA SER A 83 -4.886 -10.111 9.227 1.00 0.00 C ATOM 1229 C SER A 83 -5.026 -11.364 8.364 1.00 0.00 C ATOM 1230 O SER A 83 -5.191 -12.469 8.883 1.00 0.00 O ATOM 1231 CB SER A 83 -6.253 -9.670 9.740 1.00 0.00 C ATOM 1232 OG SER A 83 -6.997 -9.034 8.714 1.00 0.00 O ATOM 0 H SER A 83 -4.908 -8.407 8.003 1.00 0.00 H new ATOM 0 HA SER A 83 -4.243 -10.365 10.070 1.00 0.00 H new ATOM 0 HB2 SER A 83 -6.803 -10.535 10.111 1.00 0.00 H new ATOM 0 HB3 SER A 83 -6.128 -8.987 10.581 1.00 0.00 H new ATOM 0 HG SER A 83 -6.885 -8.063 8.782 1.00 0.00 H new ATOM 1238 N GLY A 84 -4.965 -11.185 7.052 1.00 0.00 N ATOM 1239 CA GLY A 84 -5.094 -12.308 6.142 1.00 0.00 C ATOM 1240 C GLY A 84 -6.486 -12.417 5.552 1.00 0.00 C ATOM 1241 O GLY A 84 -6.915 -13.497 5.146 1.00 0.00 O ATOM 0 H GLY A 84 -4.828 -10.281 6.600 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -4.368 -12.204 5.336 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -4.853 -13.230 6.671 1.00 0.00 H new ATOM 1245 N ASN A 85 -7.192 -11.299 5.497 1.00 0.00 N ATOM 1246 CA ASN A 85 -8.538 -11.270 4.940 1.00 0.00 C ATOM 1247 C ASN A 85 -8.499 -10.959 3.452 1.00 0.00 C ATOM 1248 O ASN A 85 -7.499 -10.461 2.931 1.00 0.00 O ATOM 1249 CB ASN A 85 -9.415 -10.236 5.659 1.00 0.00 C ATOM 1250 CG ASN A 85 -9.960 -10.731 6.985 1.00 0.00 C ATOM 1251 OD1 ASN A 85 -11.035 -11.330 7.039 1.00 0.00 O ATOM 1252 ND2 ASN A 85 -9.241 -10.476 8.067 1.00 0.00 N ATOM 0 H ASN A 85 -6.855 -10.396 5.832 1.00 0.00 H new ATOM 0 HA ASN A 85 -8.973 -12.258 5.087 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -8.832 -9.331 5.829 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -10.248 -9.962 5.011 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -9.573 -10.778 8.983 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -8.355 -9.977 7.985 1.00 0.00 H new ATOM 1259 N ARG A 86 -9.597 -11.256 2.778 1.00 0.00 N ATOM 1260 CA ARG A 86 -9.725 -11.008 1.349 1.00 0.00 C ATOM 1261 C ARG A 86 -10.240 -9.599 1.091 1.00 0.00 C ATOM 1262 O ARG A 86 -11.050 -9.076 1.856 1.00 0.00 O ATOM 1263 CB ARG A 86 -10.684 -12.029 0.733 1.00 0.00 C ATOM 1264 CG ARG A 86 -12.003 -12.123 1.479 1.00 0.00 C ATOM 1265 CD ARG A 86 -12.924 -13.177 0.890 1.00 0.00 C ATOM 1266 NE ARG A 86 -13.976 -13.553 1.833 1.00 0.00 N ATOM 1267 CZ ARG A 86 -15.265 -13.672 1.521 1.00 0.00 C ATOM 1268 NH1 ARG A 86 -15.694 -13.391 0.296 1.00 0.00 N ATOM 1269 NH2 ARG A 86 -16.125 -14.067 2.447 1.00 0.00 N ATOM 0 H ARG A 86 -10.424 -11.675 3.203 1.00 0.00 H new ATOM 0 HA ARG A 86 -8.741 -11.107 0.890 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -10.878 -11.758 -0.305 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -10.207 -13.009 0.723 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -11.810 -12.356 2.526 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -12.501 -11.154 1.455 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -13.374 -12.797 -0.027 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -12.344 -14.059 0.619 1.00 0.00 H new ATOM 0 HE ARG A 86 -13.703 -13.737 2.798 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -15.034 -13.081 -0.417 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -16.684 -13.486 0.068 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -15.798 -14.277 3.390 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -17.114 -14.161 2.217 1.00 0.00 H new ATOM 1283 N ILE A 87 -9.771 -8.988 0.016 1.00 0.00 N ATOM 1284 CA ILE A 87 -10.240 -7.666 -0.372 1.00 0.00 C ATOM 1285 C ILE A 87 -10.705 -7.672 -1.822 1.00 0.00 C ATOM 1286 O ILE A 87 -10.057 -8.259 -2.694 1.00 0.00 O ATOM 1287 CB ILE A 87 -9.163 -6.570 -0.185 1.00 0.00 C ATOM 1288 CG1 ILE A 87 -7.912 -6.884 -1.009 1.00 0.00 C ATOM 1289 CG2 ILE A 87 -8.806 -6.416 1.285 1.00 0.00 C ATOM 1290 CD1 ILE A 87 -6.839 -5.820 -0.910 1.00 0.00 C ATOM 0 H ILE A 87 -9.066 -9.385 -0.604 1.00 0.00 H new ATOM 0 HA ILE A 87 -11.073 -7.427 0.289 1.00 0.00 H new ATOM 0 HB ILE A 87 -9.577 -5.627 -0.542 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -7.499 -7.837 -0.678 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -8.196 -7.005 -2.054 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -8.048 -5.641 1.396 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -9.696 -6.136 1.848 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -8.418 -7.361 1.666 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -5.983 -6.109 -1.519 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -7.235 -4.870 -1.268 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -6.526 -5.714 0.129 1.00 0.00 H new ATOM 1302 N LEU A 88 -11.836 -7.034 -2.070 1.00 0.00 N ATOM 1303 CA LEU A 88 -12.378 -6.932 -3.415 1.00 0.00 C ATOM 1304 C LEU A 88 -11.781 -5.723 -4.124 1.00 0.00 C ATOM 1305 O LEU A 88 -11.626 -4.660 -3.523 1.00 0.00 O ATOM 1306 CB LEU A 88 -13.904 -6.819 -3.363 1.00 0.00 C ATOM 1307 CG LEU A 88 -14.604 -6.741 -4.722 1.00 0.00 C ATOM 1308 CD1 LEU A 88 -14.388 -8.022 -5.517 1.00 0.00 C ATOM 1309 CD2 LEU A 88 -16.091 -6.471 -4.538 1.00 0.00 C ATOM 0 H LEU A 88 -12.400 -6.576 -1.354 1.00 0.00 H new ATOM 0 HA LEU A 88 -12.116 -7.832 -3.972 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -14.297 -7.679 -2.820 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -14.166 -5.932 -2.787 1.00 0.00 H new ATOM 0 HG LEU A 88 -14.168 -5.915 -5.284 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -14.895 -7.943 -6.479 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -13.321 -8.173 -5.680 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -14.794 -8.868 -4.962 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -16.575 -6.418 -5.513 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -16.538 -7.276 -3.955 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -16.227 -5.525 -4.014 1.00 0.00 H new ATOM 1321 N ILE A 89 -11.443 -5.891 -5.391 1.00 0.00 N ATOM 1322 CA ILE A 89 -10.809 -4.834 -6.164 1.00 0.00 C ATOM 1323 C ILE A 89 -11.594 -4.584 -7.450 1.00 0.00 C ATOM 1324 O ILE A 89 -12.377 -5.437 -7.873 1.00 0.00 O ATOM 1325 CB ILE A 89 -9.344 -5.213 -6.512 1.00 0.00 C ATOM 1326 CG1 ILE A 89 -8.632 -4.063 -7.229 1.00 0.00 C ATOM 1327 CG2 ILE A 89 -9.299 -6.479 -7.366 1.00 0.00 C ATOM 1328 CD1 ILE A 89 -7.247 -4.416 -7.714 1.00 0.00 C ATOM 0 H ILE A 89 -11.598 -6.755 -5.910 1.00 0.00 H new ATOM 0 HA ILE A 89 -10.802 -3.925 -5.562 1.00 0.00 H new ATOM 0 HB ILE A 89 -8.821 -5.407 -5.576 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -9.236 -3.747 -8.080 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -8.564 -3.211 -6.553 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -8.263 -6.725 -7.597 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -9.754 -7.304 -6.818 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -9.848 -6.312 -8.293 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -6.805 -3.553 -8.212 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -6.626 -4.703 -6.865 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -7.308 -5.248 -8.416 1.00 0.00 H new ATOM 1340 N LYS A 90 -11.391 -3.423 -8.067 1.00 0.00 N ATOM 1341 CA LYS A 90 -11.950 -3.144 -9.387 1.00 0.00 C ATOM 1342 C LYS A 90 -11.168 -3.911 -10.460 1.00 0.00 C ATOM 1343 O LYS A 90 -10.844 -3.361 -11.512 1.00 0.00 O ATOM 1344 CB LYS A 90 -11.900 -1.643 -9.688 1.00 0.00 C ATOM 1345 CG LYS A 90 -12.719 -0.775 -8.743 1.00 0.00 C ATOM 1346 CD LYS A 90 -14.199 -1.130 -8.783 1.00 0.00 C ATOM 1347 CE LYS A 90 -15.064 0.007 -8.253 1.00 0.00 C ATOM 1348 NZ LYS A 90 -14.770 0.351 -6.835 1.00 0.00 N ATOM 0 H LYS A 90 -10.842 -2.659 -7.673 1.00 0.00 H new ATOM 0 HA LYS A 90 -12.991 -3.469 -9.396 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -10.861 -1.314 -9.653 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -12.252 -1.479 -10.706 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -12.345 -0.893 -7.726 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -12.590 0.274 -9.010 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -14.490 -1.362 -9.807 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -14.374 -2.028 -8.190 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -14.913 0.890 -8.874 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -16.114 -0.271 -8.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -15.555 0.909 -6.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -14.657 -0.523 -6.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -13.892 0.907 -6.787 1.00 0.00 H new ATOM 1362 N ASN A 91 -10.889 -5.188 -10.170 1.00 0.00 N ATOM 1363 CA ASN A 91 -10.134 -6.086 -11.055 1.00 0.00 C ATOM 1364 C ASN A 91 -8.644 -5.784 -11.013 1.00 0.00 C ATOM 1365 O ASN A 91 -8.235 -4.656 -10.749 1.00 0.00 O ATOM 1366 CB ASN A 91 -10.638 -6.025 -12.504 1.00 0.00 C ATOM 1367 CG ASN A 91 -12.008 -6.649 -12.675 1.00 0.00 C ATOM 1368 OD1 ASN A 91 -12.344 -7.147 -13.747 1.00 0.00 O ATOM 1369 ND2 ASN A 91 -12.802 -6.637 -11.617 1.00 0.00 N ATOM 0 H ASN A 91 -11.185 -5.634 -9.302 1.00 0.00 H new ATOM 0 HA ASN A 91 -10.298 -7.097 -10.681 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -10.674 -4.985 -12.828 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -9.927 -6.536 -13.153 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -13.732 -7.052 -11.673 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -12.484 -6.213 -10.745 1.00 0.00 H new ATOM 1376 N PRO A 92 -7.807 -6.801 -11.272 1.00 0.00 N ATOM 1377 CA PRO A 92 -6.350 -6.643 -11.287 1.00 0.00 C ATOM 1378 C PRO A 92 -5.860 -5.939 -12.558 1.00 0.00 C ATOM 1379 O PRO A 92 -4.777 -6.222 -13.069 1.00 0.00 O ATOM 1380 CB PRO A 92 -5.852 -8.087 -11.227 1.00 0.00 C ATOM 1381 CG PRO A 92 -6.918 -8.879 -11.897 1.00 0.00 C ATOM 1382 CD PRO A 92 -8.214 -8.193 -11.565 1.00 0.00 C ATOM 0 HA PRO A 92 -5.984 -6.021 -10.470 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -4.895 -8.198 -11.737 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -5.704 -8.413 -10.197 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -6.760 -8.913 -12.975 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -6.920 -9.910 -11.542 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -8.916 -8.238 -12.397 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -8.705 -8.656 -10.709 1.00 0.00 H new ATOM 1390 N GLU A 93 -6.670 -5.012 -13.042 1.00 0.00 N ATOM 1391 CA GLU A 93 -6.342 -4.226 -14.215 1.00 0.00 C ATOM 1392 C GLU A 93 -5.911 -2.833 -13.766 1.00 0.00 C ATOM 1393 O GLU A 93 -6.168 -2.445 -12.624 1.00 0.00 O ATOM 1394 CB GLU A 93 -7.560 -4.153 -15.150 1.00 0.00 C ATOM 1395 CG GLU A 93 -7.304 -3.419 -16.460 1.00 0.00 C ATOM 1396 CD GLU A 93 -6.150 -4.004 -17.251 1.00 0.00 C ATOM 1397 OE1 GLU A 93 -6.367 -4.987 -17.984 1.00 0.00 O ATOM 1398 OE2 GLU A 93 -5.018 -3.476 -17.142 1.00 0.00 O ATOM 0 H GLU A 93 -7.575 -4.784 -12.630 1.00 0.00 H new ATOM 0 HA GLU A 93 -5.524 -4.691 -14.765 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -7.892 -5.167 -15.374 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -8.377 -3.659 -14.624 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -8.207 -3.449 -17.069 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -7.097 -2.370 -16.248 1.00 0.00 H new ATOM 1405 N TYR A 94 -5.222 -2.112 -14.649 1.00 0.00 N ATOM 1406 CA TYR A 94 -4.744 -0.751 -14.379 1.00 0.00 C ATOM 1407 C TYR A 94 -3.548 -0.757 -13.428 1.00 0.00 C ATOM 1408 O TYR A 94 -2.691 0.125 -13.498 1.00 0.00 O ATOM 1409 CB TYR A 94 -5.875 0.150 -13.871 1.00 0.00 C ATOM 1410 CG TYR A 94 -6.972 0.307 -14.895 1.00 0.00 C ATOM 1411 CD1 TYR A 94 -6.749 1.038 -16.053 1.00 0.00 C ATOM 1412 CD2 TYR A 94 -8.208 -0.303 -14.730 1.00 0.00 C ATOM 1413 CE1 TYR A 94 -7.728 1.164 -17.015 1.00 0.00 C ATOM 1414 CE2 TYR A 94 -9.190 -0.189 -15.695 1.00 0.00 C ATOM 1415 CZ TYR A 94 -8.945 0.547 -16.835 1.00 0.00 C ATOM 1416 OH TYR A 94 -9.911 0.657 -17.806 1.00 0.00 O ATOM 0 H TYR A 94 -4.977 -2.455 -15.578 1.00 0.00 H new ATOM 0 HA TYR A 94 -4.399 -0.330 -15.323 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -6.291 -0.270 -12.955 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -5.472 1.130 -13.617 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -5.792 1.516 -16.203 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -8.405 -0.875 -13.835 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -7.541 1.744 -17.906 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -10.145 -0.674 -15.557 1.00 0.00 H new ATOM 0 HH TYR A 94 -10.711 0.164 -17.529 1.00 0.00 H new ATOM 1426 N PHE A 95 -3.491 -1.742 -12.542 1.00 0.00 N ATOM 1427 CA PHE A 95 -2.276 -2.018 -11.798 1.00 0.00 C ATOM 1428 C PHE A 95 -1.324 -2.764 -12.724 1.00 0.00 C ATOM 1429 O PHE A 95 -1.309 -3.996 -12.775 1.00 0.00 O ATOM 1430 CB PHE A 95 -2.577 -2.833 -10.533 1.00 0.00 C ATOM 1431 CG PHE A 95 -1.369 -3.091 -9.678 1.00 0.00 C ATOM 1432 CD1 PHE A 95 -0.631 -2.037 -9.169 1.00 0.00 C ATOM 1433 CD2 PHE A 95 -0.969 -4.386 -9.390 1.00 0.00 C ATOM 1434 CE1 PHE A 95 0.483 -2.267 -8.388 1.00 0.00 C ATOM 1435 CE2 PHE A 95 0.147 -4.622 -8.608 1.00 0.00 C ATOM 1436 CZ PHE A 95 0.874 -3.561 -8.107 1.00 0.00 C ATOM 0 H PHE A 95 -4.272 -2.361 -12.323 1.00 0.00 H new ATOM 0 HA PHE A 95 -1.818 -1.086 -11.466 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -3.324 -2.305 -9.941 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -3.016 -3.787 -10.823 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -0.931 -1.022 -9.386 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -1.534 -5.219 -9.780 1.00 0.00 H new ATOM 0 HE1 PHE A 95 1.049 -1.435 -7.996 1.00 0.00 H new ATOM 0 HE2 PHE A 95 0.449 -5.636 -8.390 1.00 0.00 H new ATOM 0 HZ PHE A 95 1.746 -3.743 -7.497 1.00 0.00 H new ATOM 1446 N SER A 96 -0.569 -1.997 -13.492 1.00 0.00 N ATOM 1447 CA SER A 96 0.195 -2.532 -14.603 1.00 0.00 C ATOM 1448 C SER A 96 1.535 -3.100 -14.147 1.00 0.00 C ATOM 1449 O SER A 96 1.947 -2.934 -12.995 1.00 0.00 O ATOM 1450 CB SER A 96 0.411 -1.431 -15.649 1.00 0.00 C ATOM 1451 OG SER A 96 1.028 -1.940 -16.823 1.00 0.00 O ATOM 0 H SER A 96 -0.469 -0.990 -13.363 1.00 0.00 H new ATOM 0 HA SER A 96 -0.371 -3.353 -15.043 1.00 0.00 H new ATOM 0 HB2 SER A 96 -0.547 -0.980 -15.907 1.00 0.00 H new ATOM 0 HB3 SER A 96 1.031 -0.641 -15.224 1.00 0.00 H new ATOM 0 HG SER A 96 1.150 -1.214 -17.470 1.00 0.00 H new ATOM 1457 N THR A 97 2.216 -3.755 -15.082 1.00 0.00 N ATOM 1458 CA THR A 97 3.519 -4.346 -14.838 1.00 0.00 C ATOM 1459 C THR A 97 4.520 -3.253 -14.479 1.00 0.00 C ATOM 1460 O THR A 97 5.507 -3.491 -13.789 1.00 0.00 O ATOM 1461 CB THR A 97 3.984 -5.121 -16.090 1.00 0.00 C ATOM 1462 OG1 THR A 97 4.710 -6.296 -15.708 1.00 0.00 O ATOM 1463 CG2 THR A 97 4.850 -4.269 -17.012 1.00 0.00 C ATOM 0 H THR A 97 1.874 -3.889 -16.034 1.00 0.00 H new ATOM 0 HA THR A 97 3.452 -5.044 -14.004 1.00 0.00 H new ATOM 0 HB THR A 97 3.085 -5.401 -16.640 1.00 0.00 H new ATOM 0 HG1 THR A 97 5.487 -6.039 -15.169 1.00 0.00 H new ATOM 0 HG21 THR A 97 5.151 -4.860 -17.877 1.00 0.00 H new ATOM 0 HG22 THR A 97 4.282 -3.401 -17.345 1.00 0.00 H new ATOM 0 HG23 THR A 97 5.737 -3.937 -16.473 1.00 0.00 H new ATOM 1471 N TYR A 98 4.229 -2.053 -14.960 1.00 0.00 N ATOM 1472 CA TYR A 98 5.008 -0.859 -14.642 1.00 0.00 C ATOM 1473 C TYR A 98 5.191 -0.706 -13.130 1.00 0.00 C ATOM 1474 O TYR A 98 6.316 -0.589 -12.638 1.00 0.00 O ATOM 1475 CB TYR A 98 4.306 0.371 -15.226 1.00 0.00 C ATOM 1476 CG TYR A 98 4.939 1.693 -14.859 1.00 0.00 C ATOM 1477 CD1 TYR A 98 6.233 2.010 -15.259 1.00 0.00 C ATOM 1478 CD2 TYR A 98 4.229 2.635 -14.131 1.00 0.00 C ATOM 1479 CE1 TYR A 98 6.799 3.228 -14.934 1.00 0.00 C ATOM 1480 CE2 TYR A 98 4.788 3.851 -13.801 1.00 0.00 C ATOM 1481 CZ TYR A 98 6.071 4.144 -14.206 1.00 0.00 C ATOM 1482 OH TYR A 98 6.623 5.363 -13.886 1.00 0.00 O ATOM 0 H TYR A 98 3.443 -1.876 -15.585 1.00 0.00 H new ATOM 0 HA TYR A 98 6.000 -0.956 -15.084 1.00 0.00 H new ATOM 0 HB2 TYR A 98 4.289 0.281 -16.312 1.00 0.00 H new ATOM 0 HB3 TYR A 98 3.269 0.374 -14.890 1.00 0.00 H new ATOM 0 HD1 TYR A 98 6.804 1.294 -15.832 1.00 0.00 H new ATOM 0 HD2 TYR A 98 3.220 2.412 -13.817 1.00 0.00 H new ATOM 0 HE1 TYR A 98 7.806 3.461 -15.249 1.00 0.00 H new ATOM 0 HE2 TYR A 98 4.222 4.570 -13.228 1.00 0.00 H new ATOM 0 HH TYR A 98 5.976 5.890 -13.371 1.00 0.00 H new ATOM 1492 N MET A 99 4.084 -0.723 -12.395 1.00 0.00 N ATOM 1493 CA MET A 99 4.131 -0.587 -10.943 1.00 0.00 C ATOM 1494 C MET A 99 4.765 -1.823 -10.318 1.00 0.00 C ATOM 1495 O MET A 99 5.483 -1.733 -9.322 1.00 0.00 O ATOM 1496 CB MET A 99 2.726 -0.393 -10.356 1.00 0.00 C ATOM 1497 CG MET A 99 1.961 0.802 -10.903 1.00 0.00 C ATOM 1498 SD MET A 99 1.321 0.529 -12.568 1.00 0.00 S ATOM 1499 CE MET A 99 0.386 2.035 -12.811 1.00 0.00 C ATOM 0 H MET A 99 3.145 -0.829 -12.779 1.00 0.00 H new ATOM 0 HA MET A 99 4.732 0.293 -10.714 1.00 0.00 H new ATOM 0 HB2 MET A 99 2.143 -1.295 -10.542 1.00 0.00 H new ATOM 0 HB3 MET A 99 2.812 -0.287 -9.275 1.00 0.00 H new ATOM 0 HG2 MET A 99 1.132 1.032 -10.234 1.00 0.00 H new ATOM 0 HG3 MET A 99 2.616 1.673 -10.910 1.00 0.00 H new ATOM 0 HE1 MET A 99 -0.075 2.022 -13.799 1.00 0.00 H new ATOM 0 HE2 MET A 99 -0.390 2.108 -12.049 1.00 0.00 H new ATOM 0 HE3 MET A 99 1.053 2.894 -12.733 1.00 0.00 H new ATOM 1509 N GLN A 100 4.493 -2.975 -10.922 1.00 0.00 N ATOM 1510 CA GLN A 100 4.995 -4.245 -10.423 1.00 0.00 C ATOM 1511 C GLN A 100 6.513 -4.312 -10.512 1.00 0.00 C ATOM 1512 O GLN A 100 7.174 -4.565 -9.513 1.00 0.00 O ATOM 1513 CB GLN A 100 4.358 -5.398 -11.197 1.00 0.00 C ATOM 1514 CG GLN A 100 2.861 -5.516 -10.966 1.00 0.00 C ATOM 1515 CD GLN A 100 2.213 -6.575 -11.830 1.00 0.00 C ATOM 1516 OE1 GLN A 100 1.761 -6.299 -12.940 1.00 0.00 O ATOM 1517 NE2 GLN A 100 2.157 -7.797 -11.327 1.00 0.00 N ATOM 0 H GLN A 100 3.923 -3.052 -11.764 1.00 0.00 H new ATOM 0 HA GLN A 100 4.723 -4.332 -9.371 1.00 0.00 H new ATOM 0 HB2 GLN A 100 4.545 -5.260 -12.262 1.00 0.00 H new ATOM 0 HB3 GLN A 100 4.839 -6.332 -10.907 1.00 0.00 H new ATOM 0 HG2 GLN A 100 2.678 -5.748 -9.917 1.00 0.00 H new ATOM 0 HG3 GLN A 100 2.391 -4.553 -11.166 1.00 0.00 H new ATOM 0 HE21 GLN A 100 2.543 -7.986 -10.402 1.00 0.00 H new ATOM 0 HE22 GLN A 100 1.727 -8.550 -11.864 1.00 0.00 H new ATOM 1526 N GLU A 101 7.061 -4.062 -11.700 1.00 0.00 N ATOM 1527 CA GLU A 101 8.512 -4.094 -11.904 1.00 0.00 C ATOM 1528 C GLU A 101 9.222 -3.109 -10.985 1.00 0.00 C ATOM 1529 O GLU A 101 10.304 -3.403 -10.477 1.00 0.00 O ATOM 1530 CB GLU A 101 8.870 -3.789 -13.360 1.00 0.00 C ATOM 1531 CG GLU A 101 9.149 -5.027 -14.199 1.00 0.00 C ATOM 1532 CD GLU A 101 7.953 -5.949 -14.318 1.00 0.00 C ATOM 1533 OE1 GLU A 101 7.146 -5.754 -15.244 1.00 0.00 O ATOM 1534 OE2 GLU A 101 7.829 -6.883 -13.499 1.00 0.00 O ATOM 0 H GLU A 101 6.524 -3.835 -12.537 1.00 0.00 H new ATOM 0 HA GLU A 101 8.849 -5.102 -11.661 1.00 0.00 H new ATOM 0 HB2 GLU A 101 8.052 -3.230 -13.815 1.00 0.00 H new ATOM 0 HB3 GLU A 101 9.748 -3.143 -13.380 1.00 0.00 H new ATOM 0 HG2 GLU A 101 9.463 -4.719 -15.196 1.00 0.00 H new ATOM 0 HG3 GLU A 101 9.981 -5.577 -13.759 1.00 0.00 H new ATOM 1541 N GLN A 102 8.611 -1.944 -10.782 1.00 0.00 N ATOM 1542 CA GLN A 102 9.140 -0.942 -9.860 1.00 0.00 C ATOM 1543 C GLN A 102 9.418 -1.565 -8.496 1.00 0.00 C ATOM 1544 O GLN A 102 10.554 -1.596 -8.019 1.00 0.00 O ATOM 1545 CB GLN A 102 8.130 0.198 -9.698 1.00 0.00 C ATOM 1546 CG GLN A 102 8.606 1.330 -8.800 1.00 0.00 C ATOM 1547 CD GLN A 102 9.742 2.129 -9.407 1.00 0.00 C ATOM 1548 OE1 GLN A 102 10.913 1.810 -9.215 1.00 0.00 O ATOM 1549 NE2 GLN A 102 9.395 3.176 -10.136 1.00 0.00 N ATOM 0 H GLN A 102 7.745 -1.670 -11.246 1.00 0.00 H new ATOM 0 HA GLN A 102 10.072 -0.553 -10.270 1.00 0.00 H new ATOM 0 HB2 GLN A 102 7.896 0.604 -10.682 1.00 0.00 H new ATOM 0 HB3 GLN A 102 7.203 -0.208 -9.292 1.00 0.00 H new ATOM 0 HG2 GLN A 102 7.770 1.998 -8.592 1.00 0.00 H new ATOM 0 HG3 GLN A 102 8.929 0.917 -7.844 1.00 0.00 H new ATOM 0 HE21 GLN A 102 8.409 3.402 -10.267 1.00 0.00 H new ATOM 0 HE22 GLN A 102 10.113 3.758 -10.567 1.00 0.00 H new ATOM 1558 N LEU A 103 8.360 -2.080 -7.890 1.00 0.00 N ATOM 1559 CA LEU A 103 8.444 -2.696 -6.572 1.00 0.00 C ATOM 1560 C LEU A 103 9.255 -3.990 -6.620 1.00 0.00 C ATOM 1561 O LEU A 103 10.027 -4.290 -5.706 1.00 0.00 O ATOM 1562 CB LEU A 103 7.038 -2.981 -6.047 1.00 0.00 C ATOM 1563 CG LEU A 103 6.137 -1.751 -5.900 1.00 0.00 C ATOM 1564 CD1 LEU A 103 4.734 -2.168 -5.495 1.00 0.00 C ATOM 1565 CD2 LEU A 103 6.716 -0.778 -4.882 1.00 0.00 C ATOM 0 H LEU A 103 7.423 -2.084 -8.294 1.00 0.00 H new ATOM 0 HA LEU A 103 8.951 -2.003 -5.900 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.553 -3.689 -6.719 1.00 0.00 H new ATOM 0 HB3 LEU A 103 7.122 -3.469 -5.076 1.00 0.00 H new ATOM 0 HG LEU A 103 6.086 -1.247 -6.865 1.00 0.00 H new ATOM 0 HD11 LEU A 103 4.106 -1.283 -5.395 1.00 0.00 H new ATOM 0 HD12 LEU A 103 4.315 -2.825 -6.257 1.00 0.00 H new ATOM 0 HD13 LEU A 103 4.772 -2.696 -4.542 1.00 0.00 H new ATOM 0 HD21 LEU A 103 6.061 0.088 -4.793 1.00 0.00 H new ATOM 0 HD22 LEU A 103 6.799 -1.271 -3.914 1.00 0.00 H new ATOM 0 HD23 LEU A 103 7.704 -0.454 -5.210 1.00 0.00 H new ATOM 1577 N LYS A 104 9.078 -4.741 -7.700 1.00 0.00 N ATOM 1578 CA LYS A 104 9.726 -6.034 -7.866 1.00 0.00 C ATOM 1579 C LYS A 104 11.239 -5.899 -7.868 1.00 0.00 C ATOM 1580 O LYS A 104 11.919 -6.519 -7.057 1.00 0.00 O ATOM 1581 CB LYS A 104 9.262 -6.691 -9.169 1.00 0.00 C ATOM 1582 CG LYS A 104 9.760 -8.114 -9.355 1.00 0.00 C ATOM 1583 CD LYS A 104 9.252 -8.701 -10.660 1.00 0.00 C ATOM 1584 CE LYS A 104 9.728 -10.129 -10.863 1.00 0.00 C ATOM 1585 NZ LYS A 104 9.222 -10.693 -12.140 1.00 0.00 N ATOM 0 H LYS A 104 8.483 -4.471 -8.483 1.00 0.00 H new ATOM 0 HA LYS A 104 9.442 -6.661 -7.021 1.00 0.00 H new ATOM 0 HB2 LYS A 104 8.172 -6.692 -9.195 1.00 0.00 H new ATOM 0 HB3 LYS A 104 9.601 -6.086 -10.010 1.00 0.00 H new ATOM 0 HG2 LYS A 104 10.850 -8.126 -9.346 1.00 0.00 H new ATOM 0 HG3 LYS A 104 9.428 -8.732 -8.520 1.00 0.00 H new ATOM 0 HD2 LYS A 104 8.162 -8.677 -10.669 1.00 0.00 H new ATOM 0 HD3 LYS A 104 9.591 -8.084 -11.492 1.00 0.00 H new ATOM 0 HE2 LYS A 104 10.818 -10.155 -10.859 1.00 0.00 H new ATOM 0 HE3 LYS A 104 9.391 -10.748 -10.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 9.565 -11.669 -12.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 8.182 -10.690 -12.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 9.564 -10.116 -12.934 1.00 0.00 H new ATOM 1599 N GLU A 105 11.764 -5.079 -8.774 1.00 0.00 N ATOM 1600 CA GLU A 105 13.207 -4.932 -8.911 1.00 0.00 C ATOM 1601 C GLU A 105 13.801 -4.318 -7.652 1.00 0.00 C ATOM 1602 O GLU A 105 14.878 -4.717 -7.212 1.00 0.00 O ATOM 1603 CB GLU A 105 13.561 -4.077 -10.127 1.00 0.00 C ATOM 1604 CG GLU A 105 15.056 -4.018 -10.394 1.00 0.00 C ATOM 1605 CD GLU A 105 15.412 -3.197 -11.612 1.00 0.00 C ATOM 1606 OE1 GLU A 105 15.094 -3.632 -12.740 1.00 0.00 O ATOM 1607 OE2 GLU A 105 16.035 -2.125 -11.450 1.00 0.00 O ATOM 0 H GLU A 105 11.215 -4.511 -9.419 1.00 0.00 H new ATOM 0 HA GLU A 105 13.631 -5.925 -9.056 1.00 0.00 H new ATOM 0 HB2 GLU A 105 13.056 -4.478 -11.006 1.00 0.00 H new ATOM 0 HB3 GLU A 105 13.184 -3.066 -9.976 1.00 0.00 H new ATOM 0 HG2 GLU A 105 15.558 -3.599 -9.522 1.00 0.00 H new ATOM 0 HG3 GLU A 105 15.436 -5.032 -10.524 1.00 0.00 H new ATOM 1614 N LEU A 106 13.077 -3.365 -7.072 1.00 0.00 N ATOM 1615 CA LEU A 106 13.496 -2.705 -5.841 1.00 0.00 C ATOM 1616 C LEU A 106 13.852 -3.739 -4.773 1.00 0.00 C ATOM 1617 O LEU A 106 14.861 -3.613 -4.077 1.00 0.00 O ATOM 1618 CB LEU A 106 12.374 -1.771 -5.359 1.00 0.00 C ATOM 1619 CG LEU A 106 12.669 -0.937 -4.107 1.00 0.00 C ATOM 1620 CD1 LEU A 106 11.804 0.314 -4.101 1.00 0.00 C ATOM 1621 CD2 LEU A 106 12.414 -1.743 -2.840 1.00 0.00 C ATOM 0 H LEU A 106 12.187 -3.030 -7.441 1.00 0.00 H new ATOM 0 HA LEU A 106 14.390 -2.111 -6.032 1.00 0.00 H new ATOM 0 HB2 LEU A 106 12.125 -1.089 -6.172 1.00 0.00 H new ATOM 0 HB3 LEU A 106 11.487 -2.374 -5.166 1.00 0.00 H new ATOM 0 HG LEU A 106 13.721 -0.653 -4.129 1.00 0.00 H new ATOM 0 HD11 LEU A 106 12.020 0.901 -3.208 1.00 0.00 H new ATOM 0 HD12 LEU A 106 12.020 0.910 -4.988 1.00 0.00 H new ATOM 0 HD13 LEU A 106 10.752 0.029 -4.102 1.00 0.00 H new ATOM 0 HD21 LEU A 106 12.631 -1.127 -1.967 1.00 0.00 H new ATOM 0 HD22 LEU A 106 11.370 -2.057 -2.812 1.00 0.00 H new ATOM 0 HD23 LEU A 106 13.058 -2.623 -2.833 1.00 0.00 H new ATOM 1633 N VAL A 107 13.021 -4.769 -4.662 1.00 0.00 N ATOM 1634 CA VAL A 107 13.253 -5.839 -3.705 1.00 0.00 C ATOM 1635 C VAL A 107 14.232 -6.865 -4.273 1.00 0.00 C ATOM 1636 O VAL A 107 15.121 -7.340 -3.570 1.00 0.00 O ATOM 1637 CB VAL A 107 11.931 -6.544 -3.322 1.00 0.00 C ATOM 1638 CG1 VAL A 107 12.181 -7.668 -2.323 1.00 0.00 C ATOM 1639 CG2 VAL A 107 10.934 -5.540 -2.759 1.00 0.00 C ATOM 0 H VAL A 107 12.179 -4.884 -5.226 1.00 0.00 H new ATOM 0 HA VAL A 107 13.681 -5.390 -2.809 1.00 0.00 H new ATOM 0 HB VAL A 107 11.508 -6.983 -4.225 1.00 0.00 H new ATOM 0 HG11 VAL A 107 11.235 -8.147 -2.070 1.00 0.00 H new ATOM 0 HG12 VAL A 107 12.854 -8.403 -2.764 1.00 0.00 H new ATOM 0 HG13 VAL A 107 12.633 -7.258 -1.420 1.00 0.00 H new ATOM 0 HG21 VAL A 107 10.010 -6.054 -2.495 1.00 0.00 H new ATOM 0 HG22 VAL A 107 11.354 -5.069 -1.870 1.00 0.00 H new ATOM 0 HG23 VAL A 107 10.724 -4.777 -3.508 1.00 0.00 H new ATOM 1649 N LEU A 108 14.082 -7.157 -5.564 1.00 0.00 N ATOM 1650 CA LEU A 108 14.859 -8.201 -6.240 1.00 0.00 C ATOM 1651 C LEU A 108 16.363 -7.911 -6.222 1.00 0.00 C ATOM 1652 O LEU A 108 17.175 -8.828 -6.356 1.00 0.00 O ATOM 1653 CB LEU A 108 14.378 -8.355 -7.689 1.00 0.00 C ATOM 1654 CG LEU A 108 15.005 -9.511 -8.475 1.00 0.00 C ATOM 1655 CD1 LEU A 108 14.647 -10.847 -7.839 1.00 0.00 C ATOM 1656 CD2 LEU A 108 14.555 -9.468 -9.929 1.00 0.00 C ATOM 0 H LEU A 108 13.419 -6.678 -6.173 1.00 0.00 H new ATOM 0 HA LEU A 108 14.698 -9.130 -5.693 1.00 0.00 H new ATOM 0 HB2 LEU A 108 13.296 -8.489 -7.682 1.00 0.00 H new ATOM 0 HB3 LEU A 108 14.581 -7.425 -8.221 1.00 0.00 H new ATOM 0 HG LEU A 108 16.089 -9.402 -8.447 1.00 0.00 H new ATOM 0 HD11 LEU A 108 15.101 -11.656 -8.411 1.00 0.00 H new ATOM 0 HD12 LEU A 108 15.019 -10.874 -6.815 1.00 0.00 H new ATOM 0 HD13 LEU A 108 13.564 -10.969 -7.835 1.00 0.00 H new ATOM 0 HD21 LEU A 108 15.009 -10.295 -10.475 1.00 0.00 H new ATOM 0 HD22 LEU A 108 13.469 -9.554 -9.977 1.00 0.00 H new ATOM 0 HD23 LEU A 108 14.864 -8.524 -10.378 1.00 0.00 H new ATOM 1668 N GLU A 109 16.734 -6.641 -6.072 1.00 0.00 N ATOM 1669 CA GLU A 109 18.144 -6.265 -5.962 1.00 0.00 C ATOM 1670 C GLU A 109 18.769 -6.883 -4.716 1.00 0.00 C ATOM 1671 O GLU A 109 19.987 -7.047 -4.624 1.00 0.00 O ATOM 1672 CB GLU A 109 18.309 -4.747 -5.906 1.00 0.00 C ATOM 1673 CG GLU A 109 17.814 -4.025 -7.146 1.00 0.00 C ATOM 1674 CD GLU A 109 18.236 -2.573 -7.169 1.00 0.00 C ATOM 1675 OE1 GLU A 109 17.687 -1.771 -6.391 1.00 0.00 O ATOM 1676 OE2 GLU A 109 19.143 -2.234 -7.959 1.00 0.00 O ATOM 0 H GLU A 109 16.082 -5.858 -6.024 1.00 0.00 H new ATOM 0 HA GLU A 109 18.652 -6.643 -6.849 1.00 0.00 H new ATOM 0 HB2 GLU A 109 17.772 -4.365 -5.038 1.00 0.00 H new ATOM 0 HB3 GLU A 109 19.363 -4.512 -5.758 1.00 0.00 H new ATOM 0 HG2 GLU A 109 18.198 -4.527 -8.034 1.00 0.00 H new ATOM 0 HG3 GLU A 109 16.727 -4.086 -7.190 1.00 0.00 H new ATOM 1683 N HIS A 110 17.922 -7.215 -3.757 1.00 0.00 N ATOM 1684 CA HIS A 110 18.362 -7.841 -2.527 1.00 0.00 C ATOM 1685 C HIS A 110 17.870 -9.275 -2.516 1.00 0.00 C ATOM 1686 O HIS A 110 16.688 -9.532 -2.734 1.00 0.00 O ATOM 1687 CB HIS A 110 17.839 -7.075 -1.309 1.00 0.00 C ATOM 1688 CG HIS A 110 18.155 -5.610 -1.347 1.00 0.00 C ATOM 1689 ND1 HIS A 110 19.319 -5.073 -0.844 1.00 0.00 N ATOM 1690 CD2 HIS A 110 17.455 -4.571 -1.857 1.00 0.00 C ATOM 1691 CE1 HIS A 110 19.321 -3.767 -1.046 1.00 0.00 C ATOM 1692 NE2 HIS A 110 18.199 -3.435 -1.662 1.00 0.00 N ATOM 0 H HIS A 110 16.916 -7.058 -3.810 1.00 0.00 H new ATOM 0 HA HIS A 110 19.451 -7.826 -2.475 1.00 0.00 H new ATOM 0 HB2 HIS A 110 16.759 -7.205 -1.244 1.00 0.00 H new ATOM 0 HB3 HIS A 110 18.267 -7.508 -0.405 1.00 0.00 H new ATOM 0 HD2 HIS A 110 16.486 -4.626 -2.332 1.00 0.00 H new ATOM 0 HE1 HIS A 110 20.107 -3.085 -0.757 1.00 0.00 H new ATOM 0 HE2 HIS A 110 17.932 -2.492 -1.945 1.00 0.00 H new