USER MOD reduce.3.24.130724 H: found=0, std=0, add=806, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 804 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 68 LYS NZ :NH3+ -176:sc= 0.543 (180deg=0.412) USER MOD Set 1.2: A 70 TYR OH : rot 180:sc= -0.723 USER MOD Set 2.1: A 54 THR OG1 : rot 30:sc= -0.0102 USER MOD Set 2.2: A 57 SER OG : rot -58:sc= 0.824 USER MOD Set 3.1: A 27 GLN : amide:sc= -4.81! C(o=-2.2!,f=-16!) USER MOD Set 3.2: A 101 LYS NZ :NH3+ -133:sc= 2.62 (180deg=-0.821) USER MOD Single : A 17 THR OG1 : rot 48:sc= 0.813 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc=-0.000179 X(o=-0.00018,f=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 165:sc= -0.452 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= -1.22 USER MOD Single : A 42 HIS : no HD1:sc= 0.818 K(o=0.82,f=-3.6!) USER MOD Single : A 43 GLN : amide:sc=-0.00594 X(o=-0.0059,f=0) USER MOD Single : A 46 THR OG1 : rot -36:sc= 0.615 USER MOD Single : A 48 ASN : amide:sc= -3.61! C(o=-3.6!,f=-2.8!) USER MOD Single : A 50 GLN : amide:sc= -4.55! C(o=-4.5!,f=-14!) USER MOD Single : A 52 HIS : no HD1:sc= -0.118 X(o=-0.12,f=-0.033) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 66 ASN : amide:sc= -0.0283 X(o=-0.028,f=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0.0865 USER MOD Single : A 71 SER OG : rot -3:sc= 1.05 USER MOD Single : A 72 MET CE :methyl -141:sc= -7.48! (180deg=-12.1!) USER MOD Single : A 75 ASN : amide:sc= -1.97 K(o=-2,f=-0.41) USER MOD Single : A 76 ASN : amide:sc= -2.82! C(o=-2.8!,f=-2.9!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot -60:sc= -1.92 USER MOD Single : A 87 SER OG : rot -57:sc= 1.15 USER MOD Single : A 88 LYS NZ :NH3+ 142:sc= -1.27 (180deg=-3.91!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0.0127 USER MOD Single : A 94 THR OG1 : rot -20:sc= 0.0895 USER MOD Single : A 99 CYS SG : rot 180:sc= -0.0782 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 THR OG1 : rot -160:sc=-0.000741 USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 197 N THR A 17 -8.153 -6.474 9.635 1.00 0.00 N ATOM 198 CA THR A 17 -7.873 -5.630 8.486 1.00 0.00 C ATOM 199 C THR A 17 -7.755 -6.477 7.217 1.00 0.00 C ATOM 200 O THR A 17 -7.303 -7.620 7.270 1.00 0.00 O ATOM 201 CB THR A 17 -6.614 -4.816 8.792 1.00 0.00 C ATOM 202 OG1 THR A 17 -6.542 -4.812 10.216 1.00 0.00 O ATOM 203 CG2 THR A 17 -6.767 -3.339 8.423 1.00 0.00 C ATOM 0 HA THR A 17 -8.690 -4.934 8.299 1.00 0.00 H new ATOM 0 HB THR A 17 -5.768 -5.239 8.251 1.00 0.00 H new ATOM 0 HG1 THR A 17 -6.664 -5.724 10.552 1.00 0.00 H new ATOM 0 HG21 THR A 17 -5.846 -2.807 8.660 1.00 0.00 H new ATOM 0 HG22 THR A 17 -6.973 -3.250 7.356 1.00 0.00 H new ATOM 0 HG23 THR A 17 -7.592 -2.906 8.989 1.00 0.00 H new ATOM 211 N VAL A 18 -8.169 -5.884 6.107 1.00 0.00 N ATOM 212 CA VAL A 18 -8.116 -6.570 4.827 1.00 0.00 C ATOM 213 C VAL A 18 -6.672 -6.584 4.321 1.00 0.00 C ATOM 214 O VAL A 18 -5.893 -5.683 4.631 1.00 0.00 O ATOM 215 CB VAL A 18 -9.088 -5.917 3.843 1.00 0.00 C ATOM 216 CG1 VAL A 18 -8.802 -6.369 2.409 1.00 0.00 C ATOM 217 CG2 VAL A 18 -10.539 -6.209 4.230 1.00 0.00 C ATOM 0 H VAL A 18 -8.543 -4.936 6.067 1.00 0.00 H new ATOM 0 HA VAL A 18 -8.433 -7.607 4.936 1.00 0.00 H new ATOM 0 HB VAL A 18 -8.939 -4.838 3.891 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -9.507 -5.890 1.729 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -7.785 -6.088 2.135 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -8.910 -7.451 2.340 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -11.209 -5.733 3.514 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -10.707 -7.286 4.224 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -10.736 -5.816 5.228 1.00 0.00 H new ATOM 227 N LYS A 19 -6.358 -7.615 3.551 1.00 0.00 N ATOM 228 CA LYS A 19 -5.022 -7.758 2.999 1.00 0.00 C ATOM 229 C LYS A 19 -5.036 -7.344 1.526 1.00 0.00 C ATOM 230 O LYS A 19 -5.670 -7.999 0.700 1.00 0.00 O ATOM 231 CB LYS A 19 -4.493 -9.174 3.235 1.00 0.00 C ATOM 232 CG LYS A 19 -3.290 -9.160 4.180 1.00 0.00 C ATOM 233 CD LYS A 19 -2.639 -10.542 4.259 1.00 0.00 C ATOM 234 CE LYS A 19 -1.619 -10.604 5.398 1.00 0.00 C ATOM 235 NZ LYS A 19 -0.906 -11.900 5.386 1.00 0.00 N ATOM 0 H LYS A 19 -7.006 -8.360 3.296 1.00 0.00 H new ATOM 0 HA LYS A 19 -4.326 -7.093 3.511 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -5.283 -9.796 3.656 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -4.207 -9.622 2.284 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -2.559 -8.429 3.834 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -3.608 -8.846 5.174 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -3.406 -11.301 4.412 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -2.148 -10.771 3.313 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -0.903 -9.788 5.298 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -2.124 -10.469 6.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -0.218 -11.925 6.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -1.591 -12.674 5.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -0.408 -12.014 4.480 1.00 0.00 H new ATOM 249 N ILE A 20 -4.330 -6.260 1.242 1.00 0.00 N ATOM 250 CA ILE A 20 -4.253 -5.751 -0.117 1.00 0.00 C ATOM 251 C ILE A 20 -3.357 -6.669 -0.951 1.00 0.00 C ATOM 252 O ILE A 20 -2.167 -6.402 -1.111 1.00 0.00 O ATOM 253 CB ILE A 20 -3.805 -4.288 -0.117 1.00 0.00 C ATOM 254 CG1 ILE A 20 -4.640 -3.459 0.861 1.00 0.00 C ATOM 255 CG2 ILE A 20 -3.833 -3.706 -1.531 1.00 0.00 C ATOM 256 CD1 ILE A 20 -4.184 -1.998 0.869 1.00 0.00 C ATOM 0 H ILE A 20 -3.806 -5.719 1.930 1.00 0.00 H new ATOM 0 HA ILE A 20 -5.238 -5.758 -0.583 1.00 0.00 H new ATOM 0 HB ILE A 20 -2.772 -4.247 0.227 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -5.693 -3.514 0.583 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -4.553 -3.877 1.864 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.510 -2.665 -1.503 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.162 -4.277 -2.173 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -4.847 -3.761 -1.927 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -4.794 -1.430 1.572 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -3.138 -1.945 1.170 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -4.295 -1.577 -0.130 1.00 0.00 H new ATOM 268 N SER A 21 -3.963 -7.732 -1.460 1.00 0.00 N ATOM 269 CA SER A 21 -3.235 -8.690 -2.273 1.00 0.00 C ATOM 270 C SER A 21 -2.986 -8.112 -3.667 1.00 0.00 C ATOM 271 O SER A 21 -1.884 -8.222 -4.202 1.00 0.00 O ATOM 272 CB SER A 21 -3.994 -10.015 -2.376 1.00 0.00 C ATOM 273 OG SER A 21 -3.198 -11.120 -1.959 1.00 0.00 O ATOM 0 H SER A 21 -4.950 -7.950 -1.325 1.00 0.00 H new ATOM 0 HA SER A 21 -2.277 -8.887 -1.792 1.00 0.00 H new ATOM 0 HB2 SER A 21 -4.894 -9.965 -1.764 1.00 0.00 H new ATOM 0 HB3 SER A 21 -4.317 -10.169 -3.406 1.00 0.00 H new ATOM 0 HG SER A 21 -3.719 -11.946 -2.038 1.00 0.00 H new ATOM 279 N ASN A 22 -4.029 -7.507 -4.217 1.00 0.00 N ATOM 280 CA ASN A 22 -3.938 -6.911 -5.539 1.00 0.00 C ATOM 281 C ASN A 22 -3.644 -5.416 -5.400 1.00 0.00 C ATOM 282 O ASN A 22 -4.426 -4.679 -4.801 1.00 0.00 O ATOM 283 CB ASN A 22 -5.254 -7.065 -6.305 1.00 0.00 C ATOM 284 CG ASN A 22 -5.031 -7.778 -7.640 1.00 0.00 C ATOM 285 OD1 ASN A 22 -4.428 -7.251 -8.561 1.00 0.00 O ATOM 286 ND2 ASN A 22 -5.548 -9.002 -7.693 1.00 0.00 N ATOM 0 H ASN A 22 -4.942 -7.417 -3.771 1.00 0.00 H new ATOM 0 HA ASN A 22 -3.142 -7.419 -6.084 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -5.966 -7.629 -5.702 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -5.693 -6.083 -6.482 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -5.452 -9.560 -8.541 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -6.041 -9.383 -6.885 1.00 0.00 H new ATOM 293 N TYR A 23 -2.515 -5.013 -5.964 1.00 0.00 N ATOM 294 CA TYR A 23 -2.108 -3.619 -5.911 1.00 0.00 C ATOM 295 C TYR A 23 -1.287 -3.240 -7.145 1.00 0.00 C ATOM 296 O TYR A 23 -0.426 -4.003 -7.580 1.00 0.00 O ATOM 297 CB TYR A 23 -1.229 -3.484 -4.667 1.00 0.00 C ATOM 298 CG TYR A 23 -0.039 -4.445 -4.638 1.00 0.00 C ATOM 299 CD1 TYR A 23 1.109 -4.144 -5.343 1.00 0.00 C ATOM 300 CD2 TYR A 23 -0.114 -5.613 -3.907 1.00 0.00 C ATOM 301 CE1 TYR A 23 2.228 -5.049 -5.316 1.00 0.00 C ATOM 302 CE2 TYR A 23 1.006 -6.518 -3.880 1.00 0.00 C ATOM 303 CZ TYR A 23 2.122 -6.191 -4.586 1.00 0.00 C ATOM 304 OH TYR A 23 3.180 -7.046 -4.560 1.00 0.00 O ATOM 0 H TYR A 23 -1.869 -5.627 -6.460 1.00 0.00 H new ATOM 0 HA TYR A 23 -2.980 -2.965 -5.880 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -0.858 -2.461 -4.606 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -1.842 -3.654 -3.782 1.00 0.00 H new ATOM 0 HD1 TYR A 23 1.168 -3.230 -5.915 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -1.012 -5.848 -3.355 1.00 0.00 H new ATOM 0 HE1 TYR A 23 3.132 -4.826 -5.864 1.00 0.00 H new ATOM 0 HE2 TYR A 23 0.961 -7.436 -3.312 1.00 0.00 H new ATOM 0 HH TYR A 23 2.962 -7.819 -3.998 1.00 0.00 H new ATOM 314 N GLY A 24 -1.583 -2.062 -7.674 1.00 0.00 N ATOM 315 CA GLY A 24 -0.882 -1.572 -8.850 1.00 0.00 C ATOM 316 C GLY A 24 0.320 -0.714 -8.453 1.00 0.00 C ATOM 317 O GLY A 24 0.181 0.241 -7.690 1.00 0.00 O ATOM 0 H GLY A 24 -2.298 -1.432 -7.311 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -0.548 -2.414 -9.456 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -1.564 -0.986 -9.467 1.00 0.00 H new ATOM 321 N TRP A 25 1.474 -1.084 -8.990 1.00 0.00 N ATOM 322 CA TRP A 25 2.700 -0.359 -8.702 1.00 0.00 C ATOM 323 C TRP A 25 3.374 -0.023 -10.033 1.00 0.00 C ATOM 324 O TRP A 25 3.228 -0.756 -11.010 1.00 0.00 O ATOM 325 CB TRP A 25 3.601 -1.160 -7.760 1.00 0.00 C ATOM 326 CG TRP A 25 4.352 -2.305 -8.442 1.00 0.00 C ATOM 327 CD1 TRP A 25 3.881 -3.511 -8.788 1.00 0.00 C ATOM 328 CD2 TRP A 25 5.737 -2.303 -8.849 1.00 0.00 C ATOM 329 NE1 TRP A 25 4.856 -4.283 -9.385 1.00 0.00 N ATOM 330 CE2 TRP A 25 6.020 -3.525 -9.424 1.00 0.00 C ATOM 331 CE3 TRP A 25 6.717 -1.302 -8.736 1.00 0.00 C ATOM 332 CZ2 TRP A 25 7.282 -3.860 -9.931 1.00 0.00 C ATOM 333 CZ3 TRP A 25 7.973 -1.652 -9.247 1.00 0.00 C ATOM 334 CH2 TRP A 25 8.274 -2.878 -9.828 1.00 0.00 C ATOM 0 H TRP A 25 1.586 -1.876 -9.623 1.00 0.00 H new ATOM 0 HA TRP A 25 2.484 0.572 -8.177 1.00 0.00 H new ATOM 0 HB2 TRP A 25 4.325 -0.484 -7.305 1.00 0.00 H new ATOM 0 HB3 TRP A 25 2.994 -1.568 -6.952 1.00 0.00 H new ATOM 0 HD1 TRP A 25 2.865 -3.838 -8.620 1.00 0.00 H new ATOM 0 HE1 TRP A 25 4.743 -5.235 -9.734 1.00 0.00 H new ATOM 0 HE3 TRP A 25 6.517 -0.339 -8.290 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 7.479 -4.824 -10.377 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 8.763 -0.918 -9.185 1.00 0.00 H new ATOM 0 HH2 TRP A 25 9.270 -3.072 -10.199 1.00 0.00 H new ATOM 345 N ASP A 26 4.099 1.086 -10.029 1.00 0.00 N ATOM 346 CA ASP A 26 4.797 1.528 -11.225 1.00 0.00 C ATOM 347 C ASP A 26 5.864 2.554 -10.837 1.00 0.00 C ATOM 348 O ASP A 26 5.583 3.502 -10.107 1.00 0.00 O ATOM 349 CB ASP A 26 3.834 2.197 -12.209 1.00 0.00 C ATOM 350 CG ASP A 26 2.366 1.798 -12.049 1.00 0.00 C ATOM 351 OD1 ASP A 26 2.029 0.682 -12.499 1.00 0.00 O ATOM 352 OD2 ASP A 26 1.614 2.619 -11.480 1.00 0.00 O ATOM 0 H ASP A 26 4.218 1.692 -9.217 1.00 0.00 H new ATOM 0 HA ASP A 26 5.245 0.654 -11.697 1.00 0.00 H new ATOM 0 HB2 ASP A 26 3.916 3.278 -12.096 1.00 0.00 H new ATOM 0 HB3 ASP A 26 4.151 1.958 -13.224 1.00 0.00 H new ATOM 357 N GLN A 27 7.067 2.328 -11.344 1.00 0.00 N ATOM 358 CA GLN A 27 8.178 3.221 -11.060 1.00 0.00 C ATOM 359 C GLN A 27 9.077 3.358 -12.291 1.00 0.00 C ATOM 360 O GLN A 27 8.989 2.558 -13.221 1.00 0.00 O ATOM 361 CB GLN A 27 8.977 2.734 -9.850 1.00 0.00 C ATOM 362 CG GLN A 27 9.496 1.311 -10.072 1.00 0.00 C ATOM 363 CD GLN A 27 10.601 1.289 -11.130 1.00 0.00 C ATOM 364 OE1 GLN A 27 11.538 2.069 -11.102 1.00 0.00 O ATOM 365 NE2 GLN A 27 10.439 0.354 -12.061 1.00 0.00 N ATOM 0 H GLN A 27 7.297 1.540 -11.949 1.00 0.00 H new ATOM 0 HA GLN A 27 7.775 4.204 -10.817 1.00 0.00 H new ATOM 0 HB2 GLN A 27 9.815 3.407 -9.669 1.00 0.00 H new ATOM 0 HB3 GLN A 27 8.348 2.761 -8.960 1.00 0.00 H new ATOM 0 HG2 GLN A 27 9.878 0.909 -9.134 1.00 0.00 H new ATOM 0 HG3 GLN A 27 8.675 0.665 -10.385 1.00 0.00 H new ATOM 0 HE21 GLN A 27 9.631 -0.267 -12.025 1.00 0.00 H new ATOM 0 HE22 GLN A 27 11.123 0.258 -12.811 1.00 0.00 H new ATOM 374 N SER A 28 9.920 4.380 -12.258 1.00 0.00 N ATOM 375 CA SER A 28 10.833 4.632 -13.359 1.00 0.00 C ATOM 376 C SER A 28 12.193 5.081 -12.819 1.00 0.00 C ATOM 377 O SER A 28 12.337 5.334 -11.624 1.00 0.00 O ATOM 378 CB SER A 28 10.267 5.686 -14.313 1.00 0.00 C ATOM 379 OG SER A 28 10.297 5.248 -15.669 1.00 0.00 O ATOM 0 H SER A 28 9.990 5.043 -11.486 1.00 0.00 H new ATOM 0 HA SER A 28 10.959 3.705 -13.918 1.00 0.00 H new ATOM 0 HB2 SER A 28 9.240 5.918 -14.029 1.00 0.00 H new ATOM 0 HB3 SER A 28 10.841 6.608 -14.217 1.00 0.00 H new ATOM 0 HG SER A 28 9.926 5.947 -16.247 1.00 0.00 H new ATOM 385 N ASP A 29 13.155 5.167 -13.726 1.00 0.00 N ATOM 386 CA ASP A 29 14.498 5.581 -13.355 1.00 0.00 C ATOM 387 C ASP A 29 14.452 7.005 -12.796 1.00 0.00 C ATOM 388 O ASP A 29 14.706 7.967 -13.518 1.00 0.00 O ATOM 389 CB ASP A 29 15.429 5.580 -14.569 1.00 0.00 C ATOM 390 CG ASP A 29 15.878 4.194 -15.037 1.00 0.00 C ATOM 391 OD1 ASP A 29 15.375 3.208 -14.457 1.00 0.00 O ATOM 392 OD2 ASP A 29 16.715 4.152 -15.965 1.00 0.00 O ATOM 0 H ASP A 29 13.031 4.957 -14.717 1.00 0.00 H new ATOM 0 HA ASP A 29 14.874 4.879 -12.611 1.00 0.00 H new ATOM 0 HB2 ASP A 29 14.925 6.081 -15.396 1.00 0.00 H new ATOM 0 HB3 ASP A 29 16.313 6.171 -14.331 1.00 0.00 H new ATOM 397 N LYS A 30 14.125 7.093 -11.515 1.00 0.00 N ATOM 398 CA LYS A 30 14.043 8.383 -10.851 1.00 0.00 C ATOM 399 C LYS A 30 13.476 8.192 -9.443 1.00 0.00 C ATOM 400 O LYS A 30 14.123 8.543 -8.457 1.00 0.00 O ATOM 401 CB LYS A 30 13.248 9.375 -11.704 1.00 0.00 C ATOM 402 CG LYS A 30 14.167 10.443 -12.302 1.00 0.00 C ATOM 403 CD LYS A 30 13.450 11.229 -13.402 1.00 0.00 C ATOM 404 CE LYS A 30 13.950 10.813 -14.787 1.00 0.00 C ATOM 405 NZ LYS A 30 15.002 11.740 -15.258 1.00 0.00 N ATOM 0 H LYS A 30 13.914 6.292 -10.919 1.00 0.00 H new ATOM 0 HA LYS A 30 15.036 8.818 -10.739 1.00 0.00 H new ATOM 0 HB2 LYS A 30 12.735 8.842 -12.504 1.00 0.00 H new ATOM 0 HB3 LYS A 30 12.480 9.851 -11.094 1.00 0.00 H new ATOM 0 HG2 LYS A 30 14.496 11.125 -11.518 1.00 0.00 H new ATOM 0 HG3 LYS A 30 15.061 9.972 -12.710 1.00 0.00 H new ATOM 0 HD2 LYS A 30 12.375 11.060 -13.333 1.00 0.00 H new ATOM 0 HD3 LYS A 30 13.615 12.297 -13.257 1.00 0.00 H new ATOM 0 HE2 LYS A 30 14.343 9.797 -14.748 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.120 10.807 -15.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 15.330 11.443 -16.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 14.616 12.704 -15.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 15.801 11.725 -14.592 1.00 0.00 H new ATOM 419 N PHE A 31 12.275 7.635 -9.393 1.00 0.00 N ATOM 420 CA PHE A 31 11.615 7.392 -8.122 1.00 0.00 C ATOM 421 C PHE A 31 10.656 6.204 -8.220 1.00 0.00 C ATOM 422 O PHE A 31 10.373 5.719 -9.314 1.00 0.00 O ATOM 423 CB PHE A 31 10.814 8.652 -7.787 1.00 0.00 C ATOM 424 CG PHE A 31 11.674 9.900 -7.579 1.00 0.00 C ATOM 425 CD1 PHE A 31 12.550 9.956 -6.539 1.00 0.00 C ATOM 426 CD2 PHE A 31 11.564 10.952 -8.433 1.00 0.00 C ATOM 427 CE1 PHE A 31 13.348 11.114 -6.346 1.00 0.00 C ATOM 428 CE2 PHE A 31 12.363 12.110 -8.240 1.00 0.00 C ATOM 429 CZ PHE A 31 13.238 12.167 -7.201 1.00 0.00 C ATOM 0 H PHE A 31 11.742 7.345 -10.213 1.00 0.00 H new ATOM 0 HA PHE A 31 12.356 7.164 -7.356 1.00 0.00 H new ATOM 0 HB2 PHE A 31 10.104 8.843 -8.591 1.00 0.00 H new ATOM 0 HB3 PHE A 31 10.231 8.470 -6.884 1.00 0.00 H new ATOM 0 HD1 PHE A 31 12.638 9.120 -5.861 1.00 0.00 H new ATOM 0 HD2 PHE A 31 10.869 10.907 -9.258 1.00 0.00 H new ATOM 0 HE1 PHE A 31 14.043 11.159 -5.520 1.00 0.00 H new ATOM 0 HE2 PHE A 31 12.276 12.946 -8.919 1.00 0.00 H new ATOM 0 HZ PHE A 31 13.846 13.048 -7.054 1.00 0.00 H new ATOM 439 N VAL A 32 10.184 5.769 -7.061 1.00 0.00 N ATOM 440 CA VAL A 32 9.263 4.646 -7.002 1.00 0.00 C ATOM 441 C VAL A 32 7.925 5.119 -6.431 1.00 0.00 C ATOM 442 O VAL A 32 7.892 5.864 -5.453 1.00 0.00 O ATOM 443 CB VAL A 32 9.885 3.501 -6.200 1.00 0.00 C ATOM 444 CG1 VAL A 32 8.815 2.506 -5.745 1.00 0.00 C ATOM 445 CG2 VAL A 32 10.979 2.798 -7.006 1.00 0.00 C ATOM 0 H VAL A 32 10.422 6.174 -6.155 1.00 0.00 H new ATOM 0 HA VAL A 32 9.070 4.257 -8.002 1.00 0.00 H new ATOM 0 HB VAL A 32 10.347 3.928 -5.310 1.00 0.00 H new ATOM 0 HG11 VAL A 32 9.284 1.702 -5.177 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.086 3.018 -5.116 1.00 0.00 H new ATOM 0 HG13 VAL A 32 8.312 2.089 -6.617 1.00 0.00 H new ATOM 0 HG21 VAL A 32 11.405 1.988 -6.413 1.00 0.00 H new ATOM 0 HG22 VAL A 32 10.551 2.391 -7.922 1.00 0.00 H new ATOM 0 HG23 VAL A 32 11.762 3.513 -7.258 1.00 0.00 H new ATOM 455 N LYS A 33 6.854 4.665 -7.065 1.00 0.00 N ATOM 456 CA LYS A 33 5.516 5.033 -6.632 1.00 0.00 C ATOM 457 C LYS A 33 4.563 3.864 -6.890 1.00 0.00 C ATOM 458 O LYS A 33 4.662 3.192 -7.915 1.00 0.00 O ATOM 459 CB LYS A 33 5.079 6.341 -7.293 1.00 0.00 C ATOM 460 CG LYS A 33 3.582 6.584 -7.092 1.00 0.00 C ATOM 461 CD LYS A 33 3.221 8.044 -7.372 1.00 0.00 C ATOM 462 CE LYS A 33 4.132 8.638 -8.448 1.00 0.00 C ATOM 463 NZ LYS A 33 3.477 9.792 -9.103 1.00 0.00 N ATOM 0 H LYS A 33 6.885 4.046 -7.875 1.00 0.00 H new ATOM 0 HA LYS A 33 5.502 5.226 -5.559 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.645 7.172 -6.873 1.00 0.00 H new ATOM 0 HB3 LYS A 33 5.306 6.307 -8.359 1.00 0.00 H new ATOM 0 HG2 LYS A 33 3.012 5.931 -7.753 1.00 0.00 H new ATOM 0 HG3 LYS A 33 3.302 6.326 -6.071 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.182 8.110 -7.694 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.308 8.626 -6.455 1.00 0.00 H new ATOM 0 HE2 LYS A 33 5.075 8.953 -8.001 1.00 0.00 H new ATOM 0 HE3 LYS A 33 4.370 7.877 -9.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.109 10.183 -9.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 2.589 9.481 -9.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 3.272 10.524 -8.393 1.00 0.00 H new ATOM 477 N ILE A 34 3.660 3.659 -5.942 1.00 0.00 N ATOM 478 CA ILE A 34 2.689 2.583 -6.054 1.00 0.00 C ATOM 479 C ILE A 34 1.278 3.175 -6.061 1.00 0.00 C ATOM 480 O ILE A 34 1.030 4.207 -5.438 1.00 0.00 O ATOM 481 CB ILE A 34 2.914 1.542 -4.955 1.00 0.00 C ATOM 482 CG1 ILE A 34 4.284 0.877 -5.103 1.00 0.00 C ATOM 483 CG2 ILE A 34 1.779 0.517 -4.931 1.00 0.00 C ATOM 484 CD1 ILE A 34 5.265 1.403 -4.053 1.00 0.00 C ATOM 0 H ILE A 34 3.580 4.219 -5.093 1.00 0.00 H new ATOM 0 HA ILE A 34 2.817 2.050 -6.996 1.00 0.00 H new ATOM 0 HB ILE A 34 2.906 2.053 -3.992 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.181 -0.203 -5.001 1.00 0.00 H new ATOM 0 HG13 ILE A 34 4.678 1.066 -6.101 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.963 -0.211 -4.141 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.833 1.025 -4.742 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.730 0.005 -5.892 1.00 0.00 H new ATOM 0 HD11 ILE A 34 6.231 0.914 -4.180 1.00 0.00 H new ATOM 0 HD12 ILE A 34 5.384 2.480 -4.174 1.00 0.00 H new ATOM 0 HD13 ILE A 34 4.879 1.190 -3.056 1.00 0.00 H new ATOM 496 N TYR A 35 0.390 2.496 -6.771 1.00 0.00 N ATOM 497 CA TYR A 35 -0.990 2.941 -6.868 1.00 0.00 C ATOM 498 C TYR A 35 -1.958 1.796 -6.564 1.00 0.00 C ATOM 499 O TYR A 35 -2.130 0.891 -7.379 1.00 0.00 O ATOM 500 CB TYR A 35 -1.188 3.390 -8.317 1.00 0.00 C ATOM 501 CG TYR A 35 -0.006 4.171 -8.894 1.00 0.00 C ATOM 502 CD1 TYR A 35 1.192 3.531 -9.135 1.00 0.00 C ATOM 503 CD2 TYR A 35 -0.138 5.516 -9.172 1.00 0.00 C ATOM 504 CE1 TYR A 35 2.305 4.267 -9.678 1.00 0.00 C ATOM 505 CE2 TYR A 35 0.974 6.252 -9.714 1.00 0.00 C ATOM 506 CZ TYR A 35 2.141 5.591 -9.941 1.00 0.00 C ATOM 507 OH TYR A 35 3.192 6.286 -10.454 1.00 0.00 O ATOM 0 H TYR A 35 0.599 1.640 -7.285 1.00 0.00 H new ATOM 0 HA TYR A 35 -1.187 3.740 -6.153 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -1.367 2.512 -8.937 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -2.083 4.010 -8.375 1.00 0.00 H new ATOM 0 HD1 TYR A 35 1.296 2.478 -8.917 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -1.076 6.017 -8.983 1.00 0.00 H new ATOM 0 HE1 TYR A 35 3.248 3.778 -9.872 1.00 0.00 H new ATOM 0 HE2 TYR A 35 0.884 7.305 -9.935 1.00 0.00 H new ATOM 0 HH TYR A 35 2.875 7.141 -10.813 1.00 0.00 H new ATOM 517 N ILE A 36 -2.565 1.873 -5.389 1.00 0.00 N ATOM 518 CA ILE A 36 -3.512 0.854 -4.967 1.00 0.00 C ATOM 519 C ILE A 36 -4.935 1.395 -5.112 1.00 0.00 C ATOM 520 O ILE A 36 -5.168 2.592 -4.948 1.00 0.00 O ATOM 521 CB ILE A 36 -3.180 0.365 -3.556 1.00 0.00 C ATOM 522 CG1 ILE A 36 -1.818 -0.331 -3.523 1.00 0.00 C ATOM 523 CG2 ILE A 36 -4.294 -0.529 -3.009 1.00 0.00 C ATOM 524 CD1 ILE A 36 -0.794 0.502 -2.749 1.00 0.00 C ATOM 0 H ILE A 36 -2.420 2.625 -4.716 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.438 -0.024 -5.609 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.114 1.233 -2.901 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -1.918 -1.312 -3.059 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.464 -0.494 -4.541 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.033 -0.863 -2.005 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.227 0.033 -2.973 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.417 -1.395 -3.659 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.165 -0.016 -2.741 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.678 1.474 -3.229 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.139 0.642 -1.725 1.00 0.00 H new ATOM 536 N THR A 37 -5.851 0.488 -5.417 1.00 0.00 N ATOM 537 CA THR A 37 -7.246 0.859 -5.585 1.00 0.00 C ATOM 538 C THR A 37 -8.014 0.653 -4.278 1.00 0.00 C ATOM 539 O THR A 37 -8.351 -0.476 -3.924 1.00 0.00 O ATOM 540 CB THR A 37 -7.811 0.054 -6.757 1.00 0.00 C ATOM 541 OG1 THR A 37 -7.331 0.738 -7.911 1.00 0.00 O ATOM 542 CG2 THR A 37 -9.334 0.167 -6.863 1.00 0.00 C ATOM 0 H THR A 37 -5.654 -0.504 -5.552 1.00 0.00 H new ATOM 0 HA THR A 37 -7.348 1.918 -5.821 1.00 0.00 H new ATOM 0 HB THR A 37 -7.531 -0.994 -6.647 1.00 0.00 H new ATOM 0 HG1 THR A 37 -7.649 0.282 -8.718 1.00 0.00 H new ATOM 0 HG21 THR A 37 -9.684 -0.422 -7.710 1.00 0.00 H new ATOM 0 HG22 THR A 37 -9.791 -0.207 -5.947 1.00 0.00 H new ATOM 0 HG23 THR A 37 -9.612 1.211 -7.007 1.00 0.00 H new ATOM 550 N LEU A 38 -8.269 1.760 -3.598 1.00 0.00 N ATOM 551 CA LEU A 38 -8.992 1.715 -2.338 1.00 0.00 C ATOM 552 C LEU A 38 -10.071 2.799 -2.334 1.00 0.00 C ATOM 553 O LEU A 38 -9.773 3.976 -2.137 1.00 0.00 O ATOM 554 CB LEU A 38 -8.021 1.810 -1.159 1.00 0.00 C ATOM 555 CG LEU A 38 -8.266 0.834 -0.007 1.00 0.00 C ATOM 556 CD1 LEU A 38 -9.760 0.551 0.162 1.00 0.00 C ATOM 557 CD2 LEU A 38 -7.457 -0.450 -0.194 1.00 0.00 C ATOM 0 H LEU A 38 -7.988 2.694 -3.895 1.00 0.00 H new ATOM 0 HA LEU A 38 -9.501 0.758 -2.226 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.010 1.652 -1.534 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -8.060 2.825 -0.763 1.00 0.00 H new ATOM 0 HG LEU A 38 -7.920 1.300 0.915 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -9.907 -0.146 0.987 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -10.285 1.482 0.375 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -10.154 0.114 -0.756 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -7.650 -1.126 0.639 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.749 -0.931 -1.127 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.394 -0.209 -0.227 1.00 0.00 H new ATOM 569 N THR A 39 -11.303 2.363 -2.555 1.00 0.00 N ATOM 570 CA THR A 39 -12.428 3.282 -2.580 1.00 0.00 C ATOM 571 C THR A 39 -12.835 3.666 -1.156 1.00 0.00 C ATOM 572 O THR A 39 -13.306 2.824 -0.393 1.00 0.00 O ATOM 573 CB THR A 39 -13.557 2.626 -3.378 1.00 0.00 C ATOM 574 OG1 THR A 39 -13.349 3.082 -4.712 1.00 0.00 O ATOM 575 CG2 THR A 39 -14.935 3.178 -3.007 1.00 0.00 C ATOM 0 H THR A 39 -11.546 1.386 -2.718 1.00 0.00 H new ATOM 0 HA THR A 39 -12.163 4.218 -3.072 1.00 0.00 H new ATOM 0 HB THR A 39 -13.541 1.549 -3.211 1.00 0.00 H new ATOM 0 HG1 THR A 39 -14.037 2.703 -5.298 1.00 0.00 H new ATOM 0 HG21 THR A 39 -15.699 2.679 -3.602 1.00 0.00 H new ATOM 0 HG22 THR A 39 -15.125 3.000 -1.949 1.00 0.00 H new ATOM 0 HG23 THR A 39 -14.963 4.249 -3.205 1.00 0.00 H new ATOM 583 N GLY A 40 -12.639 4.938 -0.841 1.00 0.00 N ATOM 584 CA GLY A 40 -12.979 5.443 0.478 1.00 0.00 C ATOM 585 C GLY A 40 -11.738 5.971 1.200 1.00 0.00 C ATOM 586 O GLY A 40 -11.847 6.787 2.114 1.00 0.00 O ATOM 0 H GLY A 40 -12.249 5.634 -1.477 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -13.718 6.240 0.387 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -13.437 4.649 1.068 1.00 0.00 H new ATOM 590 N VAL A 41 -10.586 5.484 0.763 1.00 0.00 N ATOM 591 CA VAL A 41 -9.326 5.897 1.356 1.00 0.00 C ATOM 592 C VAL A 41 -9.210 7.421 1.289 1.00 0.00 C ATOM 593 O VAL A 41 -8.570 8.037 2.140 1.00 0.00 O ATOM 594 CB VAL A 41 -8.163 5.179 0.667 1.00 0.00 C ATOM 595 CG1 VAL A 41 -8.072 5.575 -0.808 1.00 0.00 C ATOM 596 CG2 VAL A 41 -6.844 5.452 1.391 1.00 0.00 C ATOM 0 H VAL A 41 -10.499 4.807 0.005 1.00 0.00 H new ATOM 0 HA VAL A 41 -9.289 5.614 2.408 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.355 4.107 0.715 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -7.238 5.051 -1.275 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -8.999 5.306 -1.315 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -7.915 6.651 -0.887 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -6.034 4.930 0.881 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -6.643 6.523 1.389 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -6.913 5.097 2.419 1.00 0.00 H new ATOM 606 N HIS A 42 -9.841 7.987 0.270 1.00 0.00 N ATOM 607 CA HIS A 42 -9.817 9.427 0.082 1.00 0.00 C ATOM 608 C HIS A 42 -10.894 10.077 0.953 1.00 0.00 C ATOM 609 O HIS A 42 -11.102 11.287 0.890 1.00 0.00 O ATOM 610 CB HIS A 42 -9.958 9.784 -1.399 1.00 0.00 C ATOM 611 CG HIS A 42 -11.338 9.538 -1.962 1.00 0.00 C ATOM 612 ND1 HIS A 42 -11.815 8.272 -2.251 1.00 0.00 N ATOM 613 CD2 HIS A 42 -12.337 10.409 -2.283 1.00 0.00 C ATOM 614 CE1 HIS A 42 -13.046 8.388 -2.726 1.00 0.00 C ATOM 615 NE2 HIS A 42 -13.368 9.713 -2.745 1.00 0.00 N ATOM 0 H HIS A 42 -10.372 7.474 -0.434 1.00 0.00 H new ATOM 0 HA HIS A 42 -8.853 9.822 0.402 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -9.704 10.835 -1.534 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -9.234 9.205 -1.972 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -12.296 11.483 -2.179 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -13.683 7.576 -3.043 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -14.255 10.104 -3.062 1.00 0.00 H new ATOM 623 N GLN A 43 -11.550 9.243 1.746 1.00 0.00 N ATOM 624 CA GLN A 43 -12.601 9.720 2.629 1.00 0.00 C ATOM 625 C GLN A 43 -12.156 9.614 4.089 1.00 0.00 C ATOM 626 O GLN A 43 -12.641 10.353 4.945 1.00 0.00 O ATOM 627 CB GLN A 43 -13.904 8.954 2.395 1.00 0.00 C ATOM 628 CG GLN A 43 -14.505 9.297 1.031 1.00 0.00 C ATOM 629 CD GLN A 43 -16.034 9.279 1.084 1.00 0.00 C ATOM 630 OE1 GLN A 43 -16.658 8.275 1.388 1.00 0.00 O ATOM 631 NE2 GLN A 43 -16.600 10.441 0.774 1.00 0.00 N ATOM 0 H GLN A 43 -11.374 8.240 1.796 1.00 0.00 H new ATOM 0 HA GLN A 43 -12.790 10.769 2.403 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -13.715 7.882 2.454 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -14.618 9.196 3.182 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -14.160 10.282 0.715 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -14.155 8.583 0.286 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -16.018 11.242 0.529 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -17.616 10.531 0.781 1.00 0.00 H new ATOM 640 N VAL A 44 -11.239 8.688 4.329 1.00 0.00 N ATOM 641 CA VAL A 44 -10.724 8.475 5.671 1.00 0.00 C ATOM 642 C VAL A 44 -9.604 9.479 5.948 1.00 0.00 C ATOM 643 O VAL A 44 -8.923 9.925 5.025 1.00 0.00 O ATOM 644 CB VAL A 44 -10.277 7.021 5.836 1.00 0.00 C ATOM 645 CG1 VAL A 44 -11.435 6.058 5.564 1.00 0.00 C ATOM 646 CG2 VAL A 44 -9.082 6.709 4.933 1.00 0.00 C ATOM 0 H VAL A 44 -10.839 8.077 3.617 1.00 0.00 H new ATOM 0 HA VAL A 44 -11.506 8.647 6.411 1.00 0.00 H new ATOM 0 HB VAL A 44 -9.961 6.883 6.870 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -11.091 5.031 5.688 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -12.246 6.256 6.265 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -11.794 6.200 4.545 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -8.784 5.669 5.070 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -9.360 6.873 3.892 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -8.249 7.362 5.193 1.00 0.00 H new ATOM 656 N PRO A 45 -9.443 9.815 7.256 1.00 0.00 N ATOM 657 CA PRO A 45 -8.416 10.759 7.666 1.00 0.00 C ATOM 658 C PRO A 45 -7.030 10.113 7.625 1.00 0.00 C ATOM 659 O PRO A 45 -6.907 8.914 7.376 1.00 0.00 O ATOM 660 CB PRO A 45 -8.824 11.202 9.061 1.00 0.00 C ATOM 661 CG PRO A 45 -9.800 10.150 9.564 1.00 0.00 C ATOM 662 CD PRO A 45 -10.230 9.307 8.375 1.00 0.00 C ATOM 0 HA PRO A 45 -8.340 11.616 6.997 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -7.956 11.275 9.717 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -9.290 12.187 9.037 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -9.330 9.526 10.324 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -10.665 10.623 10.029 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -10.034 8.249 8.549 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -11.299 9.407 8.185 1.00 0.00 H new ATOM 670 N THR A 46 -6.022 10.935 7.874 1.00 0.00 N ATOM 671 CA THR A 46 -4.649 10.459 7.869 1.00 0.00 C ATOM 672 C THR A 46 -4.347 9.687 9.155 1.00 0.00 C ATOM 673 O THR A 46 -3.256 9.144 9.316 1.00 0.00 O ATOM 674 CB THR A 46 -3.731 11.664 7.654 1.00 0.00 C ATOM 675 OG1 THR A 46 -2.428 11.096 7.560 1.00 0.00 O ATOM 676 CG2 THR A 46 -3.655 12.569 8.886 1.00 0.00 C ATOM 0 H THR A 46 -6.128 11.928 8.081 1.00 0.00 H new ATOM 0 HA THR A 46 -4.479 9.753 7.056 1.00 0.00 H new ATOM 0 HB THR A 46 -4.085 12.242 6.800 1.00 0.00 H new ATOM 0 HG1 THR A 46 -2.357 10.336 8.175 1.00 0.00 H new ATOM 0 HG21 THR A 46 -2.991 13.408 8.680 1.00 0.00 H new ATOM 0 HG22 THR A 46 -4.650 12.944 9.124 1.00 0.00 H new ATOM 0 HG23 THR A 46 -3.269 12.000 9.732 1.00 0.00 H new ATOM 684 N GLU A 47 -5.335 9.663 10.038 1.00 0.00 N ATOM 685 CA GLU A 47 -5.189 8.967 11.305 1.00 0.00 C ATOM 686 C GLU A 47 -5.479 7.475 11.127 1.00 0.00 C ATOM 687 O GLU A 47 -5.020 6.652 11.918 1.00 0.00 O ATOM 688 CB GLU A 47 -6.097 9.578 12.374 1.00 0.00 C ATOM 689 CG GLU A 47 -7.566 9.250 12.100 1.00 0.00 C ATOM 690 CD GLU A 47 -8.211 8.571 13.309 1.00 0.00 C ATOM 691 OE1 GLU A 47 -7.847 7.403 13.565 1.00 0.00 O ATOM 692 OE2 GLU A 47 -9.055 9.234 13.950 1.00 0.00 O ATOM 0 H GLU A 47 -6.239 10.114 9.901 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.159 9.080 11.643 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.814 9.200 13.356 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -5.961 10.659 12.397 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -8.108 10.165 11.860 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -7.640 8.598 11.230 1.00 0.00 H new ATOM 699 N ASN A 48 -6.239 7.173 10.085 1.00 0.00 N ATOM 700 CA ASN A 48 -6.595 5.795 9.794 1.00 0.00 C ATOM 701 C ASN A 48 -5.580 5.207 8.811 1.00 0.00 C ATOM 702 O ASN A 48 -5.561 3.999 8.582 1.00 0.00 O ATOM 703 CB ASN A 48 -7.981 5.708 9.150 1.00 0.00 C ATOM 704 CG ASN A 48 -9.082 5.926 10.190 1.00 0.00 C ATOM 705 OD1 ASN A 48 -8.873 5.817 11.387 1.00 0.00 O ATOM 706 ND2 ASN A 48 -10.265 6.239 9.667 1.00 0.00 N ATOM 0 H ASN A 48 -6.618 7.859 9.432 1.00 0.00 H new ATOM 0 HA ASN A 48 -6.598 5.242 10.733 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -8.067 6.455 8.361 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -8.107 4.733 8.680 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -11.065 6.404 10.278 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -10.372 6.314 8.655 1.00 0.00 H new ATOM 713 N VAL A 49 -4.762 6.089 8.257 1.00 0.00 N ATOM 714 CA VAL A 49 -3.747 5.673 7.304 1.00 0.00 C ATOM 715 C VAL A 49 -2.365 5.801 7.949 1.00 0.00 C ATOM 716 O VAL A 49 -1.894 6.909 8.201 1.00 0.00 O ATOM 717 CB VAL A 49 -3.880 6.479 6.011 1.00 0.00 C ATOM 718 CG1 VAL A 49 -3.097 5.823 4.872 1.00 0.00 C ATOM 719 CG2 VAL A 49 -5.350 6.664 5.630 1.00 0.00 C ATOM 0 H VAL A 49 -4.781 7.090 8.450 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.884 4.626 7.033 1.00 0.00 H new ATOM 0 HB VAL A 49 -3.452 7.466 6.186 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -3.209 6.417 3.965 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -2.042 5.766 5.141 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -3.481 4.818 4.698 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -5.417 7.240 4.707 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -5.813 5.688 5.483 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -5.869 7.195 6.428 1.00 0.00 H new ATOM 729 N GLN A 50 -1.754 4.652 8.197 1.00 0.00 N ATOM 730 CA GLN A 50 -0.436 4.622 8.808 1.00 0.00 C ATOM 731 C GLN A 50 0.553 3.888 7.900 1.00 0.00 C ATOM 732 O GLN A 50 0.502 2.665 7.780 1.00 0.00 O ATOM 733 CB GLN A 50 -0.488 3.979 10.195 1.00 0.00 C ATOM 734 CG GLN A 50 0.864 3.366 10.566 1.00 0.00 C ATOM 735 CD GLN A 50 1.971 4.422 10.537 1.00 0.00 C ATOM 736 OE1 GLN A 50 2.055 5.245 9.641 1.00 0.00 O ATOM 737 NE2 GLN A 50 2.813 4.351 11.564 1.00 0.00 N ATOM 0 H GLN A 50 -2.147 3.735 7.986 1.00 0.00 H new ATOM 0 HA GLN A 50 -0.092 5.649 8.933 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -0.768 4.727 10.936 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -1.258 3.208 10.214 1.00 0.00 H new ATOM 0 HG2 GLN A 50 0.806 2.922 11.560 1.00 0.00 H new ATOM 0 HG3 GLN A 50 1.106 2.562 9.871 1.00 0.00 H new ATOM 0 HE21 GLN A 50 2.685 3.636 12.280 1.00 0.00 H new ATOM 0 HE22 GLN A 50 3.587 5.011 11.635 1.00 0.00 H new ATOM 746 N VAL A 51 1.431 4.666 7.283 1.00 0.00 N ATOM 747 CA VAL A 51 2.430 4.106 6.389 1.00 0.00 C ATOM 748 C VAL A 51 3.822 4.546 6.847 1.00 0.00 C ATOM 749 O VAL A 51 4.041 5.722 7.136 1.00 0.00 O ATOM 750 CB VAL A 51 2.122 4.504 4.944 1.00 0.00 C ATOM 751 CG1 VAL A 51 1.549 5.921 4.876 1.00 0.00 C ATOM 752 CG2 VAL A 51 3.365 4.371 4.062 1.00 0.00 C ATOM 0 H VAL A 51 1.471 5.680 7.385 1.00 0.00 H new ATOM 0 HA VAL A 51 2.406 3.017 6.424 1.00 0.00 H new ATOM 0 HB VAL A 51 1.366 3.819 4.561 1.00 0.00 H new ATOM 0 HG11 VAL A 51 1.339 6.179 3.838 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.627 5.969 5.456 1.00 0.00 H new ATOM 0 HG13 VAL A 51 2.272 6.626 5.286 1.00 0.00 H new ATOM 0 HG21 VAL A 51 3.119 4.660 3.040 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.153 5.021 4.443 1.00 0.00 H new ATOM 0 HG23 VAL A 51 3.710 3.337 4.073 1.00 0.00 H new ATOM 762 N HIS A 52 4.726 3.579 6.899 1.00 0.00 N ATOM 763 CA HIS A 52 6.091 3.853 7.316 1.00 0.00 C ATOM 764 C HIS A 52 7.064 3.369 6.239 1.00 0.00 C ATOM 765 O HIS A 52 6.985 2.225 5.795 1.00 0.00 O ATOM 766 CB HIS A 52 6.373 3.238 8.689 1.00 0.00 C ATOM 767 CG HIS A 52 7.822 3.308 9.107 1.00 0.00 C ATOM 768 ND1 HIS A 52 8.452 2.289 9.799 1.00 0.00 N ATOM 769 CD2 HIS A 52 8.756 4.284 8.924 1.00 0.00 C ATOM 770 CE1 HIS A 52 9.709 2.647 10.018 1.00 0.00 C ATOM 771 NE2 HIS A 52 9.895 3.884 9.475 1.00 0.00 N ATOM 0 H HIS A 52 4.540 2.605 6.659 1.00 0.00 H new ATOM 0 HA HIS A 52 6.232 4.928 7.427 1.00 0.00 H new ATOM 0 HB2 HIS A 52 5.765 3.748 9.436 1.00 0.00 H new ATOM 0 HB3 HIS A 52 6.058 2.195 8.680 1.00 0.00 H new ATOM 0 HD2 HIS A 52 8.596 5.224 8.416 1.00 0.00 H new ATOM 0 HE1 HIS A 52 10.455 2.062 10.535 1.00 0.00 H new ATOM 0 HE2 HIS A 52 10.766 4.414 9.490 1.00 0.00 H new ATOM 779 N PHE A 53 7.959 4.266 5.850 1.00 0.00 N ATOM 780 CA PHE A 53 8.946 3.945 4.834 1.00 0.00 C ATOM 781 C PHE A 53 10.285 3.566 5.470 1.00 0.00 C ATOM 782 O PHE A 53 10.644 4.085 6.526 1.00 0.00 O ATOM 783 CB PHE A 53 9.137 5.202 3.983 1.00 0.00 C ATOM 784 CG PHE A 53 7.831 5.908 3.615 1.00 0.00 C ATOM 785 CD1 PHE A 53 7.055 5.423 2.609 1.00 0.00 C ATOM 786 CD2 PHE A 53 7.445 7.022 4.294 1.00 0.00 C ATOM 787 CE1 PHE A 53 5.843 6.078 2.267 1.00 0.00 C ATOM 788 CE2 PHE A 53 6.232 7.677 3.952 1.00 0.00 C ATOM 789 CZ PHE A 53 5.457 7.192 2.946 1.00 0.00 C ATOM 0 H PHE A 53 8.021 5.214 6.220 1.00 0.00 H new ATOM 0 HA PHE A 53 8.605 3.098 4.239 1.00 0.00 H new ATOM 0 HB2 PHE A 53 9.776 5.901 4.523 1.00 0.00 H new ATOM 0 HB3 PHE A 53 9.663 4.932 3.067 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.361 4.539 2.070 1.00 0.00 H new ATOM 0 HD2 PHE A 53 8.061 7.408 5.093 1.00 0.00 H new ATOM 0 HE1 PHE A 53 5.227 5.692 1.468 1.00 0.00 H new ATOM 0 HE2 PHE A 53 5.925 8.561 4.492 1.00 0.00 H new ATOM 0 HZ PHE A 53 4.535 7.691 2.686 1.00 0.00 H new ATOM 799 N THR A 54 10.987 2.663 4.800 1.00 0.00 N ATOM 800 CA THR A 54 12.279 2.209 5.287 1.00 0.00 C ATOM 801 C THR A 54 13.328 2.297 4.177 1.00 0.00 C ATOM 802 O THR A 54 13.107 2.952 3.159 1.00 0.00 O ATOM 803 CB THR A 54 12.103 0.796 5.846 1.00 0.00 C ATOM 804 OG1 THR A 54 11.309 0.131 4.867 1.00 0.00 O ATOM 805 CG2 THR A 54 11.237 0.769 7.108 1.00 0.00 C ATOM 0 H THR A 54 10.686 2.234 3.925 1.00 0.00 H new ATOM 0 HA THR A 54 12.646 2.848 6.090 1.00 0.00 H new ATOM 0 HB THR A 54 13.081 0.369 6.067 1.00 0.00 H new ATOM 0 HG1 THR A 54 11.488 0.516 3.984 1.00 0.00 H new ATOM 0 HG21 THR A 54 11.144 -0.257 7.464 1.00 0.00 H new ATOM 0 HG22 THR A 54 11.702 1.380 7.881 1.00 0.00 H new ATOM 0 HG23 THR A 54 10.248 1.165 6.879 1.00 0.00 H new ATOM 813 N GLU A 55 14.447 1.627 4.410 1.00 0.00 N ATOM 814 CA GLU A 55 15.531 1.621 3.442 1.00 0.00 C ATOM 815 C GLU A 55 15.190 0.700 2.269 1.00 0.00 C ATOM 816 O GLU A 55 15.458 1.033 1.116 1.00 0.00 O ATOM 817 CB GLU A 55 16.850 1.207 4.099 1.00 0.00 C ATOM 818 CG GLU A 55 17.117 -0.286 3.898 1.00 0.00 C ATOM 819 CD GLU A 55 18.273 -0.760 4.782 1.00 0.00 C ATOM 820 OE1 GLU A 55 17.998 -1.057 5.965 1.00 0.00 O ATOM 821 OE2 GLU A 55 19.405 -0.814 4.255 1.00 0.00 O ATOM 0 H GLU A 55 14.627 1.084 5.255 1.00 0.00 H new ATOM 0 HA GLU A 55 15.656 2.634 3.059 1.00 0.00 H new ATOM 0 HB2 GLU A 55 17.670 1.787 3.675 1.00 0.00 H new ATOM 0 HB3 GLU A 55 16.817 1.434 5.165 1.00 0.00 H new ATOM 0 HG2 GLU A 55 16.218 -0.855 4.133 1.00 0.00 H new ATOM 0 HG3 GLU A 55 17.352 -0.479 2.851 1.00 0.00 H new ATOM 828 N ARG A 56 14.604 -0.440 2.604 1.00 0.00 N ATOM 829 CA ARG A 56 14.224 -1.411 1.592 1.00 0.00 C ATOM 830 C ARG A 56 12.883 -2.054 1.951 1.00 0.00 C ATOM 831 O ARG A 56 12.775 -3.278 2.018 1.00 0.00 O ATOM 832 CB ARG A 56 15.284 -2.505 1.452 1.00 0.00 C ATOM 833 CG ARG A 56 16.639 -1.909 1.062 1.00 0.00 C ATOM 834 CD ARG A 56 17.075 -2.396 -0.321 1.00 0.00 C ATOM 835 NE ARG A 56 18.266 -3.265 -0.199 1.00 0.00 N ATOM 836 CZ ARG A 56 18.214 -4.583 0.040 1.00 0.00 C ATOM 837 NH1 ARG A 56 17.029 -5.191 0.185 1.00 0.00 N ATOM 838 NH2 ARG A 56 19.347 -5.292 0.136 1.00 0.00 N ATOM 0 H ARG A 56 14.383 -0.713 3.562 1.00 0.00 H new ATOM 0 HA ARG A 56 14.136 -0.883 0.643 1.00 0.00 H new ATOM 0 HB2 ARG A 56 15.378 -3.047 2.393 1.00 0.00 H new ATOM 0 HB3 ARG A 56 14.970 -3.227 0.698 1.00 0.00 H new ATOM 0 HG2 ARG A 56 16.576 -0.821 1.065 1.00 0.00 H new ATOM 0 HG3 ARG A 56 17.389 -2.187 1.802 1.00 0.00 H new ATOM 0 HD2 ARG A 56 16.261 -2.945 -0.796 1.00 0.00 H new ATOM 0 HD3 ARG A 56 17.301 -1.543 -0.961 1.00 0.00 H new ATOM 0 HE ARG A 56 19.185 -2.834 -0.303 1.00 0.00 H new ATOM 0 HH11 ARG A 56 16.167 -4.651 0.114 1.00 0.00 H new ATOM 0 HH12 ARG A 56 16.989 -6.194 0.367 1.00 0.00 H new ATOM 0 HH21 ARG A 56 20.249 -4.829 0.027 1.00 0.00 H new ATOM 0 HH22 ARG A 56 19.307 -6.295 0.318 1.00 0.00 H new ATOM 852 N SER A 57 11.894 -1.201 2.173 1.00 0.00 N ATOM 853 CA SER A 57 10.564 -1.670 2.524 1.00 0.00 C ATOM 854 C SER A 57 9.651 -0.480 2.822 1.00 0.00 C ATOM 855 O SER A 57 10.108 0.661 2.870 1.00 0.00 O ATOM 856 CB SER A 57 10.613 -2.615 3.726 1.00 0.00 C ATOM 857 OG SER A 57 10.216 -1.967 4.931 1.00 0.00 O ATOM 0 H SER A 57 11.987 -0.187 2.117 1.00 0.00 H new ATOM 0 HA SER A 57 10.162 -2.224 1.676 1.00 0.00 H new ATOM 0 HB2 SER A 57 9.962 -3.469 3.542 1.00 0.00 H new ATOM 0 HB3 SER A 57 11.625 -3.004 3.840 1.00 0.00 H new ATOM 0 HG SER A 57 10.794 -1.192 5.091 1.00 0.00 H new ATOM 863 N PHE A 58 8.376 -0.786 3.014 1.00 0.00 N ATOM 864 CA PHE A 58 7.394 0.244 3.306 1.00 0.00 C ATOM 865 C PHE A 58 6.047 -0.374 3.685 1.00 0.00 C ATOM 866 O PHE A 58 5.514 -1.207 2.953 1.00 0.00 O ATOM 867 CB PHE A 58 7.221 1.072 2.030 1.00 0.00 C ATOM 868 CG PHE A 58 5.984 0.700 1.211 1.00 0.00 C ATOM 869 CD1 PHE A 58 4.742 0.946 1.706 1.00 0.00 C ATOM 870 CD2 PHE A 58 6.127 0.125 -0.013 1.00 0.00 C ATOM 871 CE1 PHE A 58 3.593 0.601 0.945 1.00 0.00 C ATOM 872 CE2 PHE A 58 4.979 -0.219 -0.774 1.00 0.00 C ATOM 873 CZ PHE A 58 3.736 0.026 -0.279 1.00 0.00 C ATOM 0 H PHE A 58 8.000 -1.733 2.973 1.00 0.00 H new ATOM 0 HA PHE A 58 7.732 0.853 4.144 1.00 0.00 H new ATOM 0 HB2 PHE A 58 7.163 2.127 2.299 1.00 0.00 H new ATOM 0 HB3 PHE A 58 8.107 0.950 1.407 1.00 0.00 H new ATOM 0 HD1 PHE A 58 4.629 1.404 2.678 1.00 0.00 H new ATOM 0 HD2 PHE A 58 7.114 -0.070 -0.406 1.00 0.00 H new ATOM 0 HE1 PHE A 58 2.606 0.795 1.338 1.00 0.00 H new ATOM 0 HE2 PHE A 58 5.093 -0.675 -1.746 1.00 0.00 H new ATOM 0 HZ PHE A 58 2.863 -0.236 -0.858 1.00 0.00 H new ATOM 883 N ASP A 59 5.534 0.059 4.827 1.00 0.00 N ATOM 884 CA ASP A 59 4.259 -0.442 5.312 1.00 0.00 C ATOM 885 C ASP A 59 3.184 0.627 5.105 1.00 0.00 C ATOM 886 O ASP A 59 3.488 1.819 5.068 1.00 0.00 O ATOM 887 CB ASP A 59 4.326 -0.762 6.807 1.00 0.00 C ATOM 888 CG ASP A 59 5.033 0.291 7.663 1.00 0.00 C ATOM 889 OD1 ASP A 59 6.273 0.383 7.539 1.00 0.00 O ATOM 890 OD2 ASP A 59 4.318 0.979 8.422 1.00 0.00 O ATOM 0 H ASP A 59 5.978 0.751 5.431 1.00 0.00 H new ATOM 0 HA ASP A 59 4.021 -1.351 4.759 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.310 -0.891 7.181 1.00 0.00 H new ATOM 0 HB3 ASP A 59 4.837 -1.716 6.936 1.00 0.00 H new ATOM 895 N LEU A 60 1.950 0.163 4.975 1.00 0.00 N ATOM 896 CA LEU A 60 0.829 1.065 4.773 1.00 0.00 C ATOM 897 C LEU A 60 -0.415 0.484 5.447 1.00 0.00 C ATOM 898 O LEU A 60 -0.917 -0.562 5.037 1.00 0.00 O ATOM 899 CB LEU A 60 0.640 1.359 3.283 1.00 0.00 C ATOM 900 CG LEU A 60 -0.300 2.516 2.942 1.00 0.00 C ATOM 901 CD1 LEU A 60 -1.079 2.230 1.656 1.00 0.00 C ATOM 902 CD2 LEU A 60 -1.229 2.833 4.116 1.00 0.00 C ATOM 0 H LEU A 60 1.702 -0.826 5.006 1.00 0.00 H new ATOM 0 HA LEU A 60 1.026 2.029 5.242 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.617 1.570 2.848 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.264 0.457 2.800 1.00 0.00 H new ATOM 0 HG LEU A 60 0.305 3.404 2.761 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.740 3.069 1.437 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.381 2.093 0.830 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.672 1.324 1.784 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.887 3.659 3.847 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.829 1.954 4.353 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.634 3.111 4.986 1.00 0.00 H new ATOM 914 N LEU A 61 -0.877 1.187 6.471 1.00 0.00 N ATOM 915 CA LEU A 61 -2.053 0.754 7.206 1.00 0.00 C ATOM 916 C LEU A 61 -3.269 1.553 6.732 1.00 0.00 C ATOM 917 O LEU A 61 -3.140 2.712 6.343 1.00 0.00 O ATOM 918 CB LEU A 61 -1.807 0.846 8.714 1.00 0.00 C ATOM 919 CG LEU A 61 -1.943 -0.461 9.497 1.00 0.00 C ATOM 920 CD1 LEU A 61 -1.753 -0.224 10.996 1.00 0.00 C ATOM 921 CD2 LEU A 61 -3.275 -1.149 9.189 1.00 0.00 C ATOM 0 H LEU A 61 -0.458 2.053 6.809 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.262 -0.296 7.004 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.803 1.240 8.875 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.505 1.571 9.132 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.150 -1.136 9.175 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -1.855 -1.169 11.530 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.761 0.189 11.176 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.508 0.477 11.352 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -3.346 -2.076 9.759 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.098 -0.489 9.465 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.331 -1.373 8.124 1.00 0.00 H new ATOM 933 N VAL A 62 -4.421 0.900 6.780 1.00 0.00 N ATOM 934 CA VAL A 62 -5.658 1.535 6.360 1.00 0.00 C ATOM 935 C VAL A 62 -6.815 0.996 7.204 1.00 0.00 C ATOM 936 O VAL A 62 -7.300 -0.109 6.965 1.00 0.00 O ATOM 937 CB VAL A 62 -5.868 1.331 4.858 1.00 0.00 C ATOM 938 CG1 VAL A 62 -7.170 1.987 4.392 1.00 0.00 C ATOM 939 CG2 VAL A 62 -4.673 1.857 4.061 1.00 0.00 C ATOM 0 H VAL A 62 -4.523 -0.062 7.103 1.00 0.00 H new ATOM 0 HA VAL A 62 -5.609 2.611 6.524 1.00 0.00 H new ATOM 0 HB VAL A 62 -5.948 0.260 4.673 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -7.295 1.827 3.321 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -8.011 1.545 4.925 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -7.132 3.057 4.597 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -4.848 1.700 2.997 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -4.547 2.922 4.255 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -3.771 1.324 4.363 1.00 0.00 H new ATOM 949 N LYS A 63 -7.224 1.802 8.173 1.00 0.00 N ATOM 950 CA LYS A 63 -8.314 1.419 9.054 1.00 0.00 C ATOM 951 C LYS A 63 -9.570 2.208 8.677 1.00 0.00 C ATOM 952 O LYS A 63 -9.487 3.213 7.971 1.00 0.00 O ATOM 953 CB LYS A 63 -7.903 1.583 10.519 1.00 0.00 C ATOM 954 CG LYS A 63 -7.760 0.222 11.203 1.00 0.00 C ATOM 955 CD LYS A 63 -6.475 0.157 12.032 1.00 0.00 C ATOM 956 CE LYS A 63 -5.904 -1.262 12.047 1.00 0.00 C ATOM 957 NZ LYS A 63 -5.240 -1.540 13.340 1.00 0.00 N ATOM 0 H LYS A 63 -6.820 2.718 8.367 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.550 0.362 8.929 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.959 2.124 10.577 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -8.647 2.182 11.044 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.621 0.042 11.846 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -7.753 -0.568 10.452 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.737 0.846 11.620 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.679 0.482 13.052 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.703 -1.984 11.879 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.190 -1.382 11.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -4.858 -2.507 13.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.464 -0.862 13.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.930 -1.446 14.112 1.00 0.00 H new ATOM 971 N ASN A 64 -10.703 1.724 9.163 1.00 0.00 N ATOM 972 CA ASN A 64 -11.974 2.372 8.885 1.00 0.00 C ATOM 973 C ASN A 64 -11.997 2.836 7.427 1.00 0.00 C ATOM 974 O ASN A 64 -11.580 3.952 7.121 1.00 0.00 O ATOM 975 CB ASN A 64 -12.172 3.599 9.776 1.00 0.00 C ATOM 976 CG ASN A 64 -13.660 3.903 9.967 1.00 0.00 C ATOM 977 OD1 ASN A 64 -14.504 3.529 9.170 1.00 0.00 O ATOM 978 ND2 ASN A 64 -13.932 4.601 11.066 1.00 0.00 N ATOM 0 H ASN A 64 -10.768 0.891 9.748 1.00 0.00 H new ATOM 0 HA ASN A 64 -12.770 1.653 9.080 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -11.705 3.428 10.746 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -11.675 4.461 9.330 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -14.896 4.855 11.284 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -13.177 4.883 11.691 1.00 0.00 H new ATOM 985 N LEU A 65 -12.488 1.956 6.567 1.00 0.00 N ATOM 986 CA LEU A 65 -12.571 2.262 5.149 1.00 0.00 C ATOM 987 C LEU A 65 -13.998 2.008 4.660 1.00 0.00 C ATOM 988 O LEU A 65 -14.955 2.532 5.227 1.00 0.00 O ATOM 989 CB LEU A 65 -11.507 1.486 4.371 1.00 0.00 C ATOM 990 CG LEU A 65 -11.216 1.984 2.953 1.00 0.00 C ATOM 991 CD1 LEU A 65 -11.887 3.335 2.699 1.00 0.00 C ATOM 992 CD2 LEU A 65 -9.710 2.032 2.687 1.00 0.00 C ATOM 0 H LEU A 65 -12.832 1.031 6.825 1.00 0.00 H new ATOM 0 HA LEU A 65 -12.356 3.316 4.973 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -10.578 1.511 4.941 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -11.817 0.443 4.312 1.00 0.00 H new ATOM 0 HG LEU A 65 -11.645 1.274 2.246 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -11.665 3.667 1.685 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -12.966 3.234 2.820 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -11.509 4.068 3.411 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -9.531 2.389 1.673 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -9.236 2.708 3.399 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -9.289 1.033 2.800 1.00 0.00 H new ATOM 1004 N ASN A 66 -14.096 1.204 3.611 1.00 0.00 N ATOM 1005 CA ASN A 66 -15.390 0.875 3.039 1.00 0.00 C ATOM 1006 C ASN A 66 -16.065 -0.197 3.898 1.00 0.00 C ATOM 1007 O ASN A 66 -16.139 -1.359 3.502 1.00 0.00 O ATOM 1008 CB ASN A 66 -15.240 0.319 1.621 1.00 0.00 C ATOM 1009 CG ASN A 66 -16.323 0.878 0.696 1.00 0.00 C ATOM 1010 OD1 ASN A 66 -17.245 0.190 0.290 1.00 0.00 O ATOM 1011 ND2 ASN A 66 -16.160 2.161 0.386 1.00 0.00 N ATOM 0 H ASN A 66 -13.300 0.771 3.143 1.00 0.00 H new ATOM 0 HA ASN A 66 -15.987 1.787 3.008 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -14.255 0.573 1.229 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -15.303 -0.769 1.644 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -16.830 2.627 -0.226 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -15.365 2.679 0.761 1.00 0.00 H new ATOM 1018 N GLY A 67 -16.540 0.233 5.058 1.00 0.00 N ATOM 1019 CA GLY A 67 -17.206 -0.675 5.976 1.00 0.00 C ATOM 1020 C GLY A 67 -16.246 -1.763 6.464 1.00 0.00 C ATOM 1021 O GLY A 67 -16.681 -2.812 6.936 1.00 0.00 O ATOM 0 H GLY A 67 -16.477 1.198 5.383 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -17.593 -0.117 6.829 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -18.062 -1.135 5.482 1.00 0.00 H new ATOM 1025 N LYS A 68 -14.960 -1.474 6.333 1.00 0.00 N ATOM 1026 CA LYS A 68 -13.935 -2.414 6.755 1.00 0.00 C ATOM 1027 C LYS A 68 -12.580 -1.705 6.786 1.00 0.00 C ATOM 1028 O LYS A 68 -12.507 -0.491 6.604 1.00 0.00 O ATOM 1029 CB LYS A 68 -13.956 -3.662 5.870 1.00 0.00 C ATOM 1030 CG LYS A 68 -14.456 -3.328 4.463 1.00 0.00 C ATOM 1031 CD LYS A 68 -13.707 -4.144 3.407 1.00 0.00 C ATOM 1032 CE LYS A 68 -14.664 -4.657 2.330 1.00 0.00 C ATOM 1033 NZ LYS A 68 -15.366 -3.527 1.680 1.00 0.00 N ATOM 0 H LYS A 68 -14.604 -0.602 5.941 1.00 0.00 H new ATOM 0 HA LYS A 68 -14.134 -2.766 7.767 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -12.954 -4.088 5.812 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -14.599 -4.419 6.318 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -15.525 -3.532 4.395 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -14.322 -2.264 4.268 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -12.934 -3.528 2.948 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -13.204 -4.986 3.882 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -14.110 -5.226 1.584 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -15.391 -5.337 2.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -16.061 -3.895 0.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -15.855 -2.961 2.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -14.676 -2.930 1.181 1.00 0.00 H new ATOM 1047 N SER A 69 -11.541 -2.493 7.019 1.00 0.00 N ATOM 1048 CA SER A 69 -10.192 -1.956 7.077 1.00 0.00 C ATOM 1049 C SER A 69 -9.286 -2.711 6.102 1.00 0.00 C ATOM 1050 O SER A 69 -9.563 -3.857 5.752 1.00 0.00 O ATOM 1051 CB SER A 69 -9.627 -2.036 8.497 1.00 0.00 C ATOM 1052 OG SER A 69 -10.386 -1.257 9.418 1.00 0.00 O ATOM 0 H SER A 69 -11.606 -3.500 7.170 1.00 0.00 H new ATOM 0 HA SER A 69 -10.230 -0.905 6.789 1.00 0.00 H new ATOM 0 HB2 SER A 69 -9.616 -3.076 8.825 1.00 0.00 H new ATOM 0 HB3 SER A 69 -8.593 -1.691 8.496 1.00 0.00 H new ATOM 0 HG SER A 69 -9.995 -1.336 10.313 1.00 0.00 H new ATOM 1058 N TYR A 70 -8.222 -2.037 5.690 1.00 0.00 N ATOM 1059 CA TYR A 70 -7.274 -2.630 4.763 1.00 0.00 C ATOM 1060 C TYR A 70 -5.837 -2.441 5.252 1.00 0.00 C ATOM 1061 O TYR A 70 -5.538 -1.476 5.953 1.00 0.00 O ATOM 1062 CB TYR A 70 -7.452 -1.880 3.441 1.00 0.00 C ATOM 1063 CG TYR A 70 -8.808 -2.113 2.771 1.00 0.00 C ATOM 1064 CD1 TYR A 70 -9.961 -1.644 3.366 1.00 0.00 C ATOM 1065 CD2 TYR A 70 -8.877 -2.793 1.572 1.00 0.00 C ATOM 1066 CE1 TYR A 70 -11.237 -1.864 2.735 1.00 0.00 C ATOM 1067 CE2 TYR A 70 -10.153 -3.013 0.941 1.00 0.00 C ATOM 1068 CZ TYR A 70 -11.270 -2.537 1.554 1.00 0.00 C ATOM 1069 OH TYR A 70 -12.475 -2.745 0.959 1.00 0.00 O ATOM 0 H TYR A 70 -7.996 -1.086 5.981 1.00 0.00 H new ATOM 0 HA TYR A 70 -7.453 -3.701 4.664 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -7.326 -0.812 3.621 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -6.662 -2.183 2.754 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -9.907 -1.112 4.304 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -7.974 -3.160 1.107 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -12.147 -1.502 3.190 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -10.221 -3.544 0.003 1.00 0.00 H new ATOM 0 HH TYR A 70 -12.346 -3.238 0.122 1.00 0.00 H new ATOM 1079 N SER A 71 -4.985 -3.379 4.864 1.00 0.00 N ATOM 1080 CA SER A 71 -3.587 -3.328 5.254 1.00 0.00 C ATOM 1081 C SER A 71 -2.698 -3.700 4.066 1.00 0.00 C ATOM 1082 O SER A 71 -3.020 -4.612 3.306 1.00 0.00 O ATOM 1083 CB SER A 71 -3.311 -4.260 6.436 1.00 0.00 C ATOM 1084 OG SER A 71 -3.831 -5.569 6.217 1.00 0.00 O ATOM 0 H SER A 71 -5.237 -4.179 4.283 1.00 0.00 H new ATOM 0 HA SER A 71 -3.356 -2.310 5.567 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.236 -4.321 6.606 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.754 -3.841 7.339 1.00 0.00 H new ATOM 0 HG SER A 71 -4.302 -5.594 5.358 1.00 0.00 H new ATOM 1090 N MET A 72 -1.595 -2.975 3.943 1.00 0.00 N ATOM 1091 CA MET A 72 -0.657 -3.217 2.860 1.00 0.00 C ATOM 1092 C MET A 72 0.777 -2.920 3.301 1.00 0.00 C ATOM 1093 O MET A 72 1.099 -1.788 3.659 1.00 0.00 O ATOM 1094 CB MET A 72 -1.018 -2.333 1.665 1.00 0.00 C ATOM 1095 CG MET A 72 0.126 -2.289 0.650 1.00 0.00 C ATOM 1096 SD MET A 72 -0.509 -1.892 -0.970 1.00 0.00 S ATOM 1097 CE MET A 72 0.108 -3.287 -1.896 1.00 0.00 C ATOM 0 H MET A 72 -1.330 -2.220 4.576 1.00 0.00 H new ATOM 0 HA MET A 72 -0.720 -4.268 2.577 1.00 0.00 H new ATOM 0 HB2 MET A 72 -1.920 -2.714 1.186 1.00 0.00 H new ATOM 0 HB3 MET A 72 -1.242 -1.323 2.009 1.00 0.00 H new ATOM 0 HG2 MET A 72 0.863 -1.545 0.953 1.00 0.00 H new ATOM 0 HG3 MET A 72 0.637 -3.252 0.623 1.00 0.00 H new ATOM 0 HE1 MET A 72 0.438 -2.953 -2.880 1.00 0.00 H new ATOM 0 HE2 MET A 72 0.947 -3.734 -1.364 1.00 0.00 H new ATOM 0 HE3 MET A 72 -0.684 -4.027 -2.011 1.00 0.00 H new ATOM 1107 N ILE A 73 1.602 -3.957 3.259 1.00 0.00 N ATOM 1108 CA ILE A 73 2.995 -3.821 3.650 1.00 0.00 C ATOM 1109 C ILE A 73 3.878 -4.543 2.631 1.00 0.00 C ATOM 1110 O ILE A 73 3.486 -5.571 2.082 1.00 0.00 O ATOM 1111 CB ILE A 73 3.197 -4.301 5.089 1.00 0.00 C ATOM 1112 CG1 ILE A 73 2.494 -3.372 6.081 1.00 0.00 C ATOM 1113 CG2 ILE A 73 4.684 -4.462 5.409 1.00 0.00 C ATOM 1114 CD1 ILE A 73 3.020 -3.589 7.501 1.00 0.00 C ATOM 0 H ILE A 73 1.332 -4.894 2.960 1.00 0.00 H new ATOM 0 HA ILE A 73 3.292 -2.772 3.644 1.00 0.00 H new ATOM 0 HB ILE A 73 2.738 -5.285 5.189 1.00 0.00 H new ATOM 0 HG12 ILE A 73 2.650 -2.334 5.786 1.00 0.00 H new ATOM 0 HG13 ILE A 73 1.419 -3.553 6.056 1.00 0.00 H new ATOM 0 HG21 ILE A 73 4.800 -4.804 6.437 1.00 0.00 H new ATOM 0 HG22 ILE A 73 5.125 -5.193 4.732 1.00 0.00 H new ATOM 0 HG23 ILE A 73 5.188 -3.504 5.286 1.00 0.00 H new ATOM 0 HD11 ILE A 73 2.504 -2.917 8.187 1.00 0.00 H new ATOM 0 HD12 ILE A 73 2.841 -4.621 7.802 1.00 0.00 H new ATOM 0 HD13 ILE A 73 4.090 -3.384 7.528 1.00 0.00 H new ATOM 1126 N VAL A 74 5.055 -3.976 2.409 1.00 0.00 N ATOM 1127 CA VAL A 74 5.997 -4.553 1.465 1.00 0.00 C ATOM 1128 C VAL A 74 7.357 -4.718 2.146 1.00 0.00 C ATOM 1129 O VAL A 74 7.934 -3.747 2.633 1.00 0.00 O ATOM 1130 CB VAL A 74 6.063 -3.695 0.200 1.00 0.00 C ATOM 1131 CG1 VAL A 74 4.741 -2.959 -0.032 1.00 0.00 C ATOM 1132 CG2 VAL A 74 7.234 -2.712 0.264 1.00 0.00 C ATOM 0 H VAL A 74 5.378 -3.123 2.867 1.00 0.00 H new ATOM 0 HA VAL A 74 5.666 -5.544 1.153 1.00 0.00 H new ATOM 0 HB VAL A 74 6.230 -4.360 -0.648 1.00 0.00 H new ATOM 0 HG11 VAL A 74 4.814 -2.356 -0.937 1.00 0.00 H new ATOM 0 HG12 VAL A 74 3.935 -3.685 -0.143 1.00 0.00 H new ATOM 0 HG13 VAL A 74 4.531 -2.311 0.819 1.00 0.00 H new ATOM 0 HG21 VAL A 74 7.258 -2.115 -0.647 1.00 0.00 H new ATOM 0 HG22 VAL A 74 7.111 -2.055 1.125 1.00 0.00 H new ATOM 0 HG23 VAL A 74 8.168 -3.265 0.360 1.00 0.00 H new ATOM 1142 N ASN A 75 7.830 -5.956 2.158 1.00 0.00 N ATOM 1143 CA ASN A 75 9.112 -6.261 2.772 1.00 0.00 C ATOM 1144 C ASN A 75 10.052 -6.843 1.715 1.00 0.00 C ATOM 1145 O ASN A 75 9.687 -7.775 0.999 1.00 0.00 O ATOM 1146 CB ASN A 75 8.956 -7.297 3.887 1.00 0.00 C ATOM 1147 CG ASN A 75 7.972 -6.811 4.953 1.00 0.00 C ATOM 1148 OD1 ASN A 75 8.348 -6.329 6.009 1.00 0.00 O ATOM 1149 ND2 ASN A 75 6.693 -6.964 4.619 1.00 0.00 N ATOM 0 H ASN A 75 7.349 -6.759 1.753 1.00 0.00 H new ATOM 0 HA ASN A 75 9.514 -5.338 3.191 1.00 0.00 H new ATOM 0 HB2 ASN A 75 8.606 -8.239 3.466 1.00 0.00 H new ATOM 0 HB3 ASN A 75 9.926 -7.493 4.344 1.00 0.00 H new ATOM 0 HD21 ASN A 75 5.959 -6.670 5.263 1.00 0.00 H new ATOM 0 HD22 ASN A 75 6.447 -7.375 3.719 1.00 0.00 H new ATOM 1156 N ASN A 76 11.245 -6.270 1.650 1.00 0.00 N ATOM 1157 CA ASN A 76 12.241 -6.720 0.692 1.00 0.00 C ATOM 1158 C ASN A 76 11.976 -6.057 -0.662 1.00 0.00 C ATOM 1159 O ASN A 76 11.259 -6.607 -1.496 1.00 0.00 O ATOM 1160 CB ASN A 76 12.172 -8.236 0.498 1.00 0.00 C ATOM 1161 CG ASN A 76 11.900 -8.947 1.825 1.00 0.00 C ATOM 1162 OD1 ASN A 76 12.403 -8.576 2.872 1.00 0.00 O ATOM 1163 ND2 ASN A 76 11.077 -9.987 1.722 1.00 0.00 N ATOM 0 H ASN A 76 11.544 -5.498 2.245 1.00 0.00 H new ATOM 0 HA ASN A 76 13.225 -6.450 1.076 1.00 0.00 H new ATOM 0 HB2 ASN A 76 11.386 -8.479 -0.217 1.00 0.00 H new ATOM 0 HB3 ASN A 76 13.110 -8.595 0.075 1.00 0.00 H new ATOM 0 HD21 ASN A 76 10.832 -10.528 2.552 1.00 0.00 H new ATOM 0 HD22 ASN A 76 10.691 -10.244 0.814 1.00 0.00 H new ATOM 1170 N LEU A 77 12.570 -4.886 -0.837 1.00 0.00 N ATOM 1171 CA LEU A 77 12.407 -4.143 -2.075 1.00 0.00 C ATOM 1172 C LEU A 77 13.620 -4.388 -2.975 1.00 0.00 C ATOM 1173 O LEU A 77 14.761 -4.295 -2.524 1.00 0.00 O ATOM 1174 CB LEU A 77 12.148 -2.663 -1.782 1.00 0.00 C ATOM 1175 CG LEU A 77 10.883 -2.350 -0.982 1.00 0.00 C ATOM 1176 CD1 LEU A 77 10.903 -0.910 -0.465 1.00 0.00 C ATOM 1177 CD2 LEU A 77 9.627 -2.646 -1.804 1.00 0.00 C ATOM 0 H LEU A 77 13.165 -4.433 -0.143 1.00 0.00 H new ATOM 0 HA LEU A 77 11.530 -4.495 -2.618 1.00 0.00 H new ATOM 0 HB2 LEU A 77 13.005 -2.265 -1.239 1.00 0.00 H new ATOM 0 HB3 LEU A 77 12.096 -2.129 -2.731 1.00 0.00 H new ATOM 0 HG LEU A 77 10.860 -3.005 -0.111 1.00 0.00 H new ATOM 0 HD11 LEU A 77 9.992 -0.714 0.100 1.00 0.00 H new ATOM 0 HD12 LEU A 77 11.769 -0.767 0.181 1.00 0.00 H new ATOM 0 HD13 LEU A 77 10.962 -0.222 -1.308 1.00 0.00 H new ATOM 0 HD21 LEU A 77 8.742 -2.415 -1.212 1.00 0.00 H new ATOM 0 HD22 LEU A 77 9.630 -2.034 -2.706 1.00 0.00 H new ATOM 0 HD23 LEU A 77 9.613 -3.700 -2.081 1.00 0.00 H new ATOM 1189 N LEU A 78 13.332 -4.696 -4.231 1.00 0.00 N ATOM 1190 CA LEU A 78 14.385 -4.955 -5.198 1.00 0.00 C ATOM 1191 C LEU A 78 15.545 -3.987 -4.955 1.00 0.00 C ATOM 1192 O LEU A 78 16.704 -4.398 -4.921 1.00 0.00 O ATOM 1193 CB LEU A 78 13.829 -4.903 -6.623 1.00 0.00 C ATOM 1194 CG LEU A 78 14.577 -5.735 -7.666 1.00 0.00 C ATOM 1195 CD1 LEU A 78 14.398 -7.232 -7.405 1.00 0.00 C ATOM 1196 CD2 LEU A 78 14.154 -5.346 -9.084 1.00 0.00 C ATOM 0 H LEU A 78 12.385 -4.772 -4.601 1.00 0.00 H new ATOM 0 HA LEU A 78 14.779 -5.963 -5.071 1.00 0.00 H new ATOM 0 HB2 LEU A 78 12.791 -5.235 -6.599 1.00 0.00 H new ATOM 0 HB3 LEU A 78 13.824 -3.864 -6.952 1.00 0.00 H new ATOM 0 HG LEU A 78 15.641 -5.518 -7.576 1.00 0.00 H new ATOM 0 HD11 LEU A 78 14.940 -7.800 -8.161 1.00 0.00 H new ATOM 0 HD12 LEU A 78 14.788 -7.478 -6.417 1.00 0.00 H new ATOM 0 HD13 LEU A 78 13.339 -7.485 -7.451 1.00 0.00 H new ATOM 0 HD21 LEU A 78 14.701 -5.952 -9.806 1.00 0.00 H new ATOM 0 HD22 LEU A 78 13.084 -5.516 -9.204 1.00 0.00 H new ATOM 0 HD23 LEU A 78 14.376 -4.292 -9.254 1.00 0.00 H new ATOM 1208 N LYS A 79 15.192 -2.720 -4.793 1.00 0.00 N ATOM 1209 CA LYS A 79 16.189 -1.691 -4.553 1.00 0.00 C ATOM 1210 C LYS A 79 15.790 -0.876 -3.321 1.00 0.00 C ATOM 1211 O LYS A 79 14.627 -0.880 -2.921 1.00 0.00 O ATOM 1212 CB LYS A 79 16.396 -0.843 -5.810 1.00 0.00 C ATOM 1213 CG LYS A 79 16.482 -1.725 -7.058 1.00 0.00 C ATOM 1214 CD LYS A 79 17.927 -2.142 -7.337 1.00 0.00 C ATOM 1215 CE LYS A 79 17.979 -3.491 -8.056 1.00 0.00 C ATOM 1216 NZ LYS A 79 19.170 -4.260 -7.630 1.00 0.00 N ATOM 0 H LYS A 79 14.230 -2.383 -4.823 1.00 0.00 H new ATOM 0 HA LYS A 79 17.157 -2.142 -4.337 1.00 0.00 H new ATOM 0 HB2 LYS A 79 15.573 -0.136 -5.916 1.00 0.00 H new ATOM 0 HB3 LYS A 79 17.309 -0.256 -5.711 1.00 0.00 H new ATOM 0 HG2 LYS A 79 15.863 -2.612 -6.924 1.00 0.00 H new ATOM 0 HG3 LYS A 79 16.083 -1.185 -7.917 1.00 0.00 H new ATOM 0 HD2 LYS A 79 18.417 -1.382 -7.946 1.00 0.00 H new ATOM 0 HD3 LYS A 79 18.479 -2.204 -6.399 1.00 0.00 H new ATOM 0 HE2 LYS A 79 17.075 -4.060 -7.840 1.00 0.00 H new ATOM 0 HE3 LYS A 79 18.007 -3.334 -9.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 19.190 -5.173 -8.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 20.030 -3.722 -7.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 19.128 -4.426 -6.604 1.00 0.00 H new ATOM 1230 N PRO A 80 16.803 -0.180 -2.740 1.00 0.00 N ATOM 1231 CA PRO A 80 16.569 0.638 -1.562 1.00 0.00 C ATOM 1232 C PRO A 80 15.842 1.933 -1.929 1.00 0.00 C ATOM 1233 O PRO A 80 15.765 2.295 -3.102 1.00 0.00 O ATOM 1234 CB PRO A 80 17.948 0.878 -0.969 1.00 0.00 C ATOM 1235 CG PRO A 80 18.937 0.582 -2.084 1.00 0.00 C ATOM 1236 CD PRO A 80 18.192 -0.152 -3.187 1.00 0.00 C ATOM 0 HA PRO A 80 15.917 0.153 -0.836 1.00 0.00 H new ATOM 0 HB2 PRO A 80 18.050 1.905 -0.619 1.00 0.00 H new ATOM 0 HB3 PRO A 80 18.122 0.230 -0.110 1.00 0.00 H new ATOM 0 HG2 PRO A 80 19.369 1.507 -2.466 1.00 0.00 H new ATOM 0 HG3 PRO A 80 19.762 -0.025 -1.711 1.00 0.00 H new ATOM 0 HD2 PRO A 80 18.290 0.364 -4.142 1.00 0.00 H new ATOM 0 HD3 PRO A 80 18.584 -1.160 -3.327 1.00 0.00 H new ATOM 1244 N ILE A 81 15.327 2.596 -0.903 1.00 0.00 N ATOM 1245 CA ILE A 81 14.609 3.844 -1.103 1.00 0.00 C ATOM 1246 C ILE A 81 14.968 4.819 0.020 1.00 0.00 C ATOM 1247 O ILE A 81 15.143 4.413 1.167 1.00 0.00 O ATOM 1248 CB ILE A 81 13.108 3.583 -1.235 1.00 0.00 C ATOM 1249 CG1 ILE A 81 12.620 2.626 -0.145 1.00 0.00 C ATOM 1250 CG2 ILE A 81 12.759 3.080 -2.637 1.00 0.00 C ATOM 1251 CD1 ILE A 81 11.538 3.280 0.716 1.00 0.00 C ATOM 0 H ILE A 81 15.393 2.293 0.069 1.00 0.00 H new ATOM 0 HA ILE A 81 14.911 4.312 -2.040 1.00 0.00 H new ATOM 0 HB ILE A 81 12.584 4.528 -1.093 1.00 0.00 H new ATOM 0 HG12 ILE A 81 12.226 1.719 -0.603 1.00 0.00 H new ATOM 0 HG13 ILE A 81 13.459 2.328 0.484 1.00 0.00 H new ATOM 0 HG21 ILE A 81 11.686 2.902 -2.703 1.00 0.00 H new ATOM 0 HG22 ILE A 81 13.049 3.828 -3.375 1.00 0.00 H new ATOM 0 HG23 ILE A 81 13.293 2.150 -2.834 1.00 0.00 H new ATOM 0 HD11 ILE A 81 11.209 2.578 1.482 1.00 0.00 H new ATOM 0 HD12 ILE A 81 11.942 4.174 1.192 1.00 0.00 H new ATOM 0 HD13 ILE A 81 10.690 3.555 0.088 1.00 0.00 H new ATOM 1263 N SER A 82 15.068 6.088 -0.351 1.00 0.00 N ATOM 1264 CA SER A 82 15.402 7.124 0.611 1.00 0.00 C ATOM 1265 C SER A 82 14.175 7.469 1.457 1.00 0.00 C ATOM 1266 O SER A 82 13.312 8.231 1.023 1.00 0.00 O ATOM 1267 CB SER A 82 15.932 8.376 -0.091 1.00 0.00 C ATOM 1268 OG SER A 82 17.354 8.455 -0.039 1.00 0.00 O ATOM 0 H SER A 82 14.924 6.421 -1.304 1.00 0.00 H new ATOM 0 HA SER A 82 16.189 6.745 1.263 1.00 0.00 H new ATOM 0 HB2 SER A 82 15.607 8.374 -1.131 1.00 0.00 H new ATOM 0 HB3 SER A 82 15.502 9.263 0.375 1.00 0.00 H new ATOM 0 HG SER A 82 17.654 9.267 -0.499 1.00 0.00 H new ATOM 1274 N VAL A 83 14.136 6.892 2.649 1.00 0.00 N ATOM 1275 CA VAL A 83 13.029 7.129 3.559 1.00 0.00 C ATOM 1276 C VAL A 83 12.659 8.613 3.531 1.00 0.00 C ATOM 1277 O VAL A 83 11.504 8.965 3.296 1.00 0.00 O ATOM 1278 CB VAL A 83 13.387 6.628 4.960 1.00 0.00 C ATOM 1279 CG1 VAL A 83 12.359 7.101 5.990 1.00 0.00 C ATOM 1280 CG2 VAL A 83 13.523 5.104 4.980 1.00 0.00 C ATOM 0 H VAL A 83 14.854 6.261 3.006 1.00 0.00 H new ATOM 0 HA VAL A 83 12.149 6.569 3.243 1.00 0.00 H new ATOM 0 HB VAL A 83 14.353 7.053 5.231 1.00 0.00 H new ATOM 0 HG11 VAL A 83 12.637 6.731 6.977 1.00 0.00 H new ATOM 0 HG12 VAL A 83 12.333 8.191 6.004 1.00 0.00 H new ATOM 0 HG13 VAL A 83 11.374 6.718 5.723 1.00 0.00 H new ATOM 0 HG21 VAL A 83 13.778 4.775 5.987 1.00 0.00 H new ATOM 0 HG22 VAL A 83 12.579 4.650 4.678 1.00 0.00 H new ATOM 0 HG23 VAL A 83 14.309 4.800 4.289 1.00 0.00 H new ATOM 1290 N GLU A 84 13.662 9.444 3.773 1.00 0.00 N ATOM 1291 CA GLU A 84 13.458 10.883 3.778 1.00 0.00 C ATOM 1292 C GLU A 84 12.494 11.286 2.661 1.00 0.00 C ATOM 1293 O GLU A 84 11.507 11.978 2.906 1.00 0.00 O ATOM 1294 CB GLU A 84 14.788 11.626 3.650 1.00 0.00 C ATOM 1295 CG GLU A 84 15.523 11.673 4.991 1.00 0.00 C ATOM 1296 CD GLU A 84 16.794 12.519 4.891 1.00 0.00 C ATOM 1297 OE1 GLU A 84 16.664 13.691 4.478 1.00 0.00 O ATOM 1298 OE2 GLU A 84 17.866 11.974 5.231 1.00 0.00 O ATOM 0 H GLU A 84 14.619 9.148 3.967 1.00 0.00 H new ATOM 0 HA GLU A 84 13.014 11.164 4.733 1.00 0.00 H new ATOM 0 HB2 GLU A 84 15.414 11.133 2.906 1.00 0.00 H new ATOM 0 HB3 GLU A 84 14.609 12.641 3.294 1.00 0.00 H new ATOM 0 HG2 GLU A 84 14.866 12.087 5.756 1.00 0.00 H new ATOM 0 HG3 GLU A 84 15.779 10.661 5.305 1.00 0.00 H new ATOM 1305 N GLY A 85 12.814 10.836 1.456 1.00 0.00 N ATOM 1306 CA GLY A 85 11.988 11.141 0.300 1.00 0.00 C ATOM 1307 C GLY A 85 10.708 10.304 0.304 1.00 0.00 C ATOM 1308 O GLY A 85 9.660 10.763 -0.150 1.00 0.00 O ATOM 0 H GLY A 85 13.634 10.263 1.256 1.00 0.00 H new ATOM 0 HA2 GLY A 85 11.734 12.201 0.300 1.00 0.00 H new ATOM 0 HA3 GLY A 85 12.550 10.948 -0.614 1.00 0.00 H new ATOM 1312 N SER A 86 10.833 9.091 0.822 1.00 0.00 N ATOM 1313 CA SER A 86 9.698 8.186 0.892 1.00 0.00 C ATOM 1314 C SER A 86 8.487 8.910 1.483 1.00 0.00 C ATOM 1315 O SER A 86 8.483 9.260 2.662 1.00 0.00 O ATOM 1316 CB SER A 86 10.033 6.946 1.723 1.00 0.00 C ATOM 1317 OG SER A 86 11.215 6.297 1.263 1.00 0.00 O ATOM 0 H SER A 86 11.703 8.714 1.197 1.00 0.00 H new ATOM 0 HA SER A 86 9.459 7.858 -0.120 1.00 0.00 H new ATOM 0 HB2 SER A 86 10.160 7.233 2.767 1.00 0.00 H new ATOM 0 HB3 SER A 86 9.197 6.247 1.684 1.00 0.00 H new ATOM 0 HG SER A 86 11.092 6.015 0.332 1.00 0.00 H new ATOM 1323 N SER A 87 7.488 9.113 0.636 1.00 0.00 N ATOM 1324 CA SER A 87 6.274 9.789 1.060 1.00 0.00 C ATOM 1325 C SER A 87 5.049 8.956 0.674 1.00 0.00 C ATOM 1326 O SER A 87 5.168 7.971 -0.054 1.00 0.00 O ATOM 1327 CB SER A 87 6.179 11.187 0.446 1.00 0.00 C ATOM 1328 OG SER A 87 7.271 11.462 -0.427 1.00 0.00 O ATOM 0 H SER A 87 7.495 8.821 -0.341 1.00 0.00 H new ATOM 0 HA SER A 87 6.305 9.899 2.144 1.00 0.00 H new ATOM 0 HB2 SER A 87 5.243 11.278 -0.105 1.00 0.00 H new ATOM 0 HB3 SER A 87 6.155 11.932 1.242 1.00 0.00 H new ATOM 0 HG SER A 87 8.114 11.359 0.061 1.00 0.00 H new ATOM 1334 N LYS A 88 3.901 9.382 1.179 1.00 0.00 N ATOM 1335 CA LYS A 88 2.656 8.687 0.896 1.00 0.00 C ATOM 1336 C LYS A 88 1.604 9.701 0.439 1.00 0.00 C ATOM 1337 O LYS A 88 1.537 10.810 0.966 1.00 0.00 O ATOM 1338 CB LYS A 88 2.223 7.852 2.102 1.00 0.00 C ATOM 1339 CG LYS A 88 0.721 7.562 2.057 1.00 0.00 C ATOM 1340 CD LYS A 88 -0.044 8.483 3.010 1.00 0.00 C ATOM 1341 CE LYS A 88 -1.281 7.781 3.575 1.00 0.00 C ATOM 1342 NZ LYS A 88 -2.434 8.708 3.607 1.00 0.00 N ATOM 0 H LYS A 88 3.806 10.199 1.782 1.00 0.00 H new ATOM 0 HA LYS A 88 2.792 7.978 0.079 1.00 0.00 H new ATOM 0 HB2 LYS A 88 2.778 6.914 2.117 1.00 0.00 H new ATOM 0 HB3 LYS A 88 2.467 8.382 3.023 1.00 0.00 H new ATOM 0 HG2 LYS A 88 0.351 7.697 1.040 1.00 0.00 H new ATOM 0 HG3 LYS A 88 0.540 6.522 2.327 1.00 0.00 H new ATOM 0 HD2 LYS A 88 0.609 8.791 3.827 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -0.344 9.389 2.483 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -1.523 6.911 2.965 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -1.072 7.417 4.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -3.301 8.192 3.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -2.532 9.107 4.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -2.280 9.478 2.925 1.00 0.00 H new ATOM 1356 N LYS A 89 0.810 9.283 -0.535 1.00 0.00 N ATOM 1357 CA LYS A 89 -0.235 10.140 -1.068 1.00 0.00 C ATOM 1358 C LYS A 89 -1.534 9.340 -1.186 1.00 0.00 C ATOM 1359 O LYS A 89 -1.520 8.112 -1.114 1.00 0.00 O ATOM 1360 CB LYS A 89 0.215 10.779 -2.383 1.00 0.00 C ATOM 1361 CG LYS A 89 0.819 12.164 -2.141 1.00 0.00 C ATOM 1362 CD LYS A 89 0.344 13.162 -3.199 1.00 0.00 C ATOM 1363 CE LYS A 89 0.874 12.786 -4.584 1.00 0.00 C ATOM 1364 NZ LYS A 89 0.130 13.512 -5.638 1.00 0.00 N ATOM 0 H LYS A 89 0.869 8.362 -0.969 1.00 0.00 H new ATOM 0 HA LYS A 89 -0.431 10.969 -0.388 1.00 0.00 H new ATOM 0 HB2 LYS A 89 0.950 10.138 -2.870 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -0.635 10.862 -3.061 1.00 0.00 H new ATOM 0 HG2 LYS A 89 0.538 12.519 -1.149 1.00 0.00 H new ATOM 0 HG3 LYS A 89 1.907 12.099 -2.160 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -0.746 13.187 -3.217 1.00 0.00 H new ATOM 0 HD3 LYS A 89 0.682 14.164 -2.936 1.00 0.00 H new ATOM 0 HE2 LYS A 89 1.936 13.024 -4.651 1.00 0.00 H new ATOM 0 HE3 LYS A 89 0.778 11.711 -4.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 0.502 13.245 -6.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -0.879 13.265 -5.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 0.243 14.537 -5.500 1.00 0.00 H new ATOM 1378 N VAL A 90 -2.626 10.069 -1.365 1.00 0.00 N ATOM 1379 CA VAL A 90 -3.931 9.442 -1.494 1.00 0.00 C ATOM 1380 C VAL A 90 -4.691 10.090 -2.653 1.00 0.00 C ATOM 1381 O VAL A 90 -4.882 11.305 -2.672 1.00 0.00 O ATOM 1382 CB VAL A 90 -4.685 9.525 -0.165 1.00 0.00 C ATOM 1383 CG1 VAL A 90 -6.161 9.167 -0.348 1.00 0.00 C ATOM 1384 CG2 VAL A 90 -4.031 8.633 0.893 1.00 0.00 C ATOM 0 H VAL A 90 -2.634 11.087 -1.424 1.00 0.00 H new ATOM 0 HA VAL A 90 -3.824 8.383 -1.727 1.00 0.00 H new ATOM 0 HB VAL A 90 -4.632 10.555 0.186 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -6.673 9.234 0.612 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -6.619 9.861 -1.053 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -6.244 8.151 -0.733 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -4.586 8.710 1.828 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -4.038 7.598 0.551 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -3.002 8.955 1.054 1.00 0.00 H new ATOM 1394 N LYS A 91 -5.103 9.250 -3.591 1.00 0.00 N ATOM 1395 CA LYS A 91 -5.837 9.726 -4.751 1.00 0.00 C ATOM 1396 C LYS A 91 -7.264 9.174 -4.708 1.00 0.00 C ATOM 1397 O LYS A 91 -7.564 8.282 -3.916 1.00 0.00 O ATOM 1398 CB LYS A 91 -5.085 9.384 -6.039 1.00 0.00 C ATOM 1399 CG LYS A 91 -4.087 8.248 -5.806 1.00 0.00 C ATOM 1400 CD LYS A 91 -3.499 7.754 -7.129 1.00 0.00 C ATOM 1401 CE LYS A 91 -2.665 8.846 -7.801 1.00 0.00 C ATOM 1402 NZ LYS A 91 -3.290 9.265 -9.076 1.00 0.00 N ATOM 0 H LYS A 91 -4.943 8.243 -3.571 1.00 0.00 H new ATOM 0 HA LYS A 91 -5.914 10.813 -4.733 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -5.796 9.095 -6.814 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -4.559 10.267 -6.402 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -3.285 8.592 -5.154 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -4.583 7.423 -5.294 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -2.878 6.876 -6.950 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -4.304 7.444 -7.796 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -2.574 9.704 -7.135 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -1.656 8.478 -7.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -2.711 10.007 -9.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -3.355 8.448 -9.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -4.244 9.635 -8.890 1.00 0.00 H new ATOM 1416 N THR A 92 -8.105 9.728 -5.569 1.00 0.00 N ATOM 1417 CA THR A 92 -9.492 9.302 -5.638 1.00 0.00 C ATOM 1418 C THR A 92 -9.583 7.775 -5.625 1.00 0.00 C ATOM 1419 O THR A 92 -9.104 7.113 -6.545 1.00 0.00 O ATOM 1420 CB THR A 92 -10.120 9.938 -6.881 1.00 0.00 C ATOM 1421 OG1 THR A 92 -9.932 11.337 -6.687 1.00 0.00 O ATOM 1422 CG2 THR A 92 -11.640 9.768 -6.921 1.00 0.00 C ATOM 0 H THR A 92 -7.853 10.468 -6.224 1.00 0.00 H new ATOM 0 HA THR A 92 -10.052 9.636 -4.765 1.00 0.00 H new ATOM 0 HB THR A 92 -9.682 9.496 -7.776 1.00 0.00 H new ATOM 0 HG1 THR A 92 -10.309 11.826 -7.448 1.00 0.00 H new ATOM 0 HG21 THR A 92 -12.035 10.237 -7.822 1.00 0.00 H new ATOM 0 HG22 THR A 92 -11.887 8.706 -6.926 1.00 0.00 H new ATOM 0 HG23 THR A 92 -12.082 10.239 -6.043 1.00 0.00 H new ATOM 1430 N ASP A 93 -10.201 7.260 -4.573 1.00 0.00 N ATOM 1431 CA ASP A 93 -10.361 5.823 -4.428 1.00 0.00 C ATOM 1432 C ASP A 93 -9.035 5.132 -4.753 1.00 0.00 C ATOM 1433 O ASP A 93 -9.020 4.076 -5.385 1.00 0.00 O ATOM 1434 CB ASP A 93 -11.422 5.287 -5.391 1.00 0.00 C ATOM 1435 CG ASP A 93 -11.125 5.517 -6.874 1.00 0.00 C ATOM 1436 OD1 ASP A 93 -10.459 4.638 -7.462 1.00 0.00 O ATOM 1437 OD2 ASP A 93 -11.571 6.567 -7.386 1.00 0.00 O ATOM 0 H ASP A 93 -10.597 7.812 -3.812 1.00 0.00 H new ATOM 0 HA ASP A 93 -10.669 5.619 -3.403 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -11.538 4.217 -5.221 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -12.378 5.753 -5.151 1.00 0.00 H new ATOM 1442 N THR A 94 -7.954 5.754 -4.306 1.00 0.00 N ATOM 1443 CA THR A 94 -6.627 5.212 -4.541 1.00 0.00 C ATOM 1444 C THR A 94 -5.632 5.780 -3.528 1.00 0.00 C ATOM 1445 O THR A 94 -5.770 6.921 -3.089 1.00 0.00 O ATOM 1446 CB THR A 94 -6.248 5.503 -5.995 1.00 0.00 C ATOM 1447 OG1 THR A 94 -7.175 4.733 -6.756 1.00 0.00 O ATOM 1448 CG2 THR A 94 -4.884 4.923 -6.372 1.00 0.00 C ATOM 0 H THR A 94 -7.970 6.629 -3.782 1.00 0.00 H new ATOM 0 HA THR A 94 -6.609 4.132 -4.396 1.00 0.00 H new ATOM 0 HB THR A 94 -6.242 6.580 -6.160 1.00 0.00 H new ATOM 0 HG1 THR A 94 -7.547 4.021 -6.195 1.00 0.00 H new ATOM 0 HG21 THR A 94 -4.664 5.158 -7.413 1.00 0.00 H new ATOM 0 HG22 THR A 94 -4.115 5.356 -5.732 1.00 0.00 H new ATOM 0 HG23 THR A 94 -4.899 3.841 -6.240 1.00 0.00 H new ATOM 1456 N VAL A 95 -4.650 4.959 -3.186 1.00 0.00 N ATOM 1457 CA VAL A 95 -3.631 5.365 -2.233 1.00 0.00 C ATOM 1458 C VAL A 95 -2.261 5.334 -2.913 1.00 0.00 C ATOM 1459 O VAL A 95 -1.824 4.287 -3.389 1.00 0.00 O ATOM 1460 CB VAL A 95 -3.700 4.482 -0.986 1.00 0.00 C ATOM 1461 CG1 VAL A 95 -3.541 3.004 -1.351 1.00 0.00 C ATOM 1462 CG2 VAL A 95 -2.653 4.907 0.045 1.00 0.00 C ATOM 0 H VAL A 95 -4.538 4.014 -3.552 1.00 0.00 H new ATOM 0 HA VAL A 95 -3.805 6.388 -1.900 1.00 0.00 H new ATOM 0 HB VAL A 95 -4.685 4.612 -0.537 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -3.594 2.398 -0.446 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -4.339 2.710 -2.032 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -2.576 2.850 -1.835 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.723 4.263 0.922 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -1.657 4.820 -0.390 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -2.831 5.941 0.339 1.00 0.00 H new ATOM 1472 N LEU A 96 -1.622 6.495 -2.938 1.00 0.00 N ATOM 1473 CA LEU A 96 -0.311 6.613 -3.552 1.00 0.00 C ATOM 1474 C LEU A 96 0.767 6.417 -2.484 1.00 0.00 C ATOM 1475 O LEU A 96 0.609 6.861 -1.348 1.00 0.00 O ATOM 1476 CB LEU A 96 -0.192 7.938 -4.309 1.00 0.00 C ATOM 1477 CG LEU A 96 -0.236 7.844 -5.836 1.00 0.00 C ATOM 1478 CD1 LEU A 96 0.336 9.108 -6.480 1.00 0.00 C ATOM 1479 CD2 LEU A 96 0.471 6.579 -6.328 1.00 0.00 C ATOM 0 H LEU A 96 -1.988 7.361 -2.543 1.00 0.00 H new ATOM 0 HA LEU A 96 -0.168 5.831 -4.298 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -0.998 8.594 -3.982 1.00 0.00 H new ATOM 0 HB3 LEU A 96 0.745 8.415 -4.021 1.00 0.00 H new ATOM 0 HG LEU A 96 -1.279 7.770 -6.144 1.00 0.00 H new ATOM 0 HD11 LEU A 96 0.293 9.015 -7.565 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -0.249 9.973 -6.166 1.00 0.00 H new ATOM 0 HD13 LEU A 96 1.372 9.238 -6.168 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.425 6.537 -7.416 1.00 0.00 H new ATOM 0 HD22 LEU A 96 1.513 6.597 -6.009 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -0.021 5.701 -5.910 1.00 0.00 H new ATOM 1491 N ILE A 97 1.839 5.750 -2.887 1.00 0.00 N ATOM 1492 CA ILE A 97 2.943 5.489 -1.979 1.00 0.00 C ATOM 1493 C ILE A 97 4.261 5.853 -2.667 1.00 0.00 C ATOM 1494 O ILE A 97 4.865 5.019 -3.338 1.00 0.00 O ATOM 1495 CB ILE A 97 2.891 4.046 -1.473 1.00 0.00 C ATOM 1496 CG1 ILE A 97 1.491 3.692 -0.970 1.00 0.00 C ATOM 1497 CG2 ILE A 97 3.962 3.799 -0.409 1.00 0.00 C ATOM 1498 CD1 ILE A 97 1.198 4.378 0.366 1.00 0.00 C ATOM 0 H ILE A 97 1.966 5.383 -3.830 1.00 0.00 H new ATOM 0 HA ILE A 97 2.863 6.116 -1.091 1.00 0.00 H new ATOM 0 HB ILE A 97 3.110 3.383 -2.310 1.00 0.00 H new ATOM 0 HG12 ILE A 97 0.748 3.994 -1.708 1.00 0.00 H new ATOM 0 HG13 ILE A 97 1.405 2.612 -0.855 1.00 0.00 H new ATOM 0 HG21 ILE A 97 3.903 2.766 -0.066 1.00 0.00 H new ATOM 0 HG22 ILE A 97 4.948 3.984 -0.835 1.00 0.00 H new ATOM 0 HG23 ILE A 97 3.799 4.471 0.434 1.00 0.00 H new ATOM 0 HD11 ILE A 97 0.196 4.109 0.701 1.00 0.00 H new ATOM 0 HD12 ILE A 97 1.928 4.055 1.109 1.00 0.00 H new ATOM 0 HD13 ILE A 97 1.261 5.459 0.241 1.00 0.00 H new ATOM 1510 N LEU A 98 4.667 7.100 -2.476 1.00 0.00 N ATOM 1511 CA LEU A 98 5.901 7.584 -3.069 1.00 0.00 C ATOM 1512 C LEU A 98 7.092 7.015 -2.295 1.00 0.00 C ATOM 1513 O LEU A 98 7.193 7.197 -1.083 1.00 0.00 O ATOM 1514 CB LEU A 98 5.894 9.112 -3.150 1.00 0.00 C ATOM 1515 CG LEU A 98 4.827 9.730 -4.055 1.00 0.00 C ATOM 1516 CD1 LEU A 98 4.251 11.004 -3.433 1.00 0.00 C ATOM 1517 CD2 LEU A 98 5.377 9.978 -5.461 1.00 0.00 C ATOM 0 H LEU A 98 4.163 7.789 -1.919 1.00 0.00 H new ATOM 0 HA LEU A 98 5.992 7.234 -4.097 1.00 0.00 H new ATOM 0 HB2 LEU A 98 5.763 9.509 -2.143 1.00 0.00 H new ATOM 0 HB3 LEU A 98 6.873 9.442 -3.498 1.00 0.00 H new ATOM 0 HG LEU A 98 4.007 9.018 -4.150 1.00 0.00 H new ATOM 0 HD11 LEU A 98 3.495 11.423 -4.097 1.00 0.00 H new ATOM 0 HD12 LEU A 98 3.798 10.766 -2.471 1.00 0.00 H new ATOM 0 HD13 LEU A 98 5.050 11.731 -3.288 1.00 0.00 H new ATOM 0 HD21 LEU A 98 4.598 10.418 -6.084 1.00 0.00 H new ATOM 0 HD22 LEU A 98 6.225 10.660 -5.405 1.00 0.00 H new ATOM 0 HD23 LEU A 98 5.700 9.033 -5.897 1.00 0.00 H new ATOM 1529 N CYS A 99 7.963 6.336 -3.027 1.00 0.00 N ATOM 1530 CA CYS A 99 9.143 5.739 -2.424 1.00 0.00 C ATOM 1531 C CYS A 99 10.380 6.331 -3.101 1.00 0.00 C ATOM 1532 O CYS A 99 10.635 6.068 -4.276 1.00 0.00 O ATOM 1533 CB CYS A 99 9.115 4.212 -2.519 1.00 0.00 C ATOM 1534 SG CYS A 99 8.095 3.519 -1.167 1.00 0.00 S ATOM 0 H CYS A 99 7.875 6.186 -4.032 1.00 0.00 H new ATOM 0 HA CYS A 99 9.168 5.971 -1.359 1.00 0.00 H new ATOM 0 HB2 CYS A 99 8.710 3.907 -3.484 1.00 0.00 H new ATOM 0 HB3 CYS A 99 10.129 3.817 -2.459 1.00 0.00 H new ATOM 0 HG CYS A 99 8.076 2.222 -1.258 1.00 0.00 H new ATOM 1540 N ARG A 100 11.117 7.119 -2.332 1.00 0.00 N ATOM 1541 CA ARG A 100 12.322 7.750 -2.843 1.00 0.00 C ATOM 1542 C ARG A 100 13.298 6.691 -3.360 1.00 0.00 C ATOM 1543 O ARG A 100 13.365 5.588 -2.820 1.00 0.00 O ATOM 1544 CB ARG A 100 13.010 8.583 -1.759 1.00 0.00 C ATOM 1545 CG ARG A 100 13.747 9.776 -2.370 1.00 0.00 C ATOM 1546 CD ARG A 100 12.811 10.605 -3.253 1.00 0.00 C ATOM 1547 NE ARG A 100 11.416 10.470 -2.778 1.00 0.00 N ATOM 1548 CZ ARG A 100 10.339 10.775 -3.515 1.00 0.00 C ATOM 1549 NH1 ARG A 100 10.490 11.235 -4.765 1.00 0.00 N ATOM 1550 NH2 ARG A 100 9.111 10.621 -3.002 1.00 0.00 N ATOM 0 H ARG A 100 10.903 7.335 -1.358 1.00 0.00 H new ATOM 0 HA ARG A 100 12.030 8.409 -3.661 1.00 0.00 H new ATOM 0 HB2 ARG A 100 12.269 8.937 -1.042 1.00 0.00 H new ATOM 0 HB3 ARG A 100 13.714 7.959 -1.208 1.00 0.00 H new ATOM 0 HG2 ARG A 100 14.153 10.402 -1.576 1.00 0.00 H new ATOM 0 HG3 ARG A 100 14.592 9.422 -2.961 1.00 0.00 H new ATOM 0 HD2 ARG A 100 13.111 11.653 -3.232 1.00 0.00 H new ATOM 0 HD3 ARG A 100 12.885 10.273 -4.288 1.00 0.00 H new ATOM 0 HE ARG A 100 11.265 10.123 -1.831 1.00 0.00 H new ATOM 0 HH11 ARG A 100 11.425 11.353 -5.156 1.00 0.00 H new ATOM 0 HH12 ARG A 100 9.670 11.467 -5.326 1.00 0.00 H new ATOM 0 HH21 ARG A 100 8.996 10.272 -2.051 1.00 0.00 H new ATOM 0 HH22 ARG A 100 8.291 10.853 -3.563 1.00 0.00 H new ATOM 1564 N LYS A 101 14.030 7.064 -4.399 1.00 0.00 N ATOM 1565 CA LYS A 101 14.999 6.160 -4.994 1.00 0.00 C ATOM 1566 C LYS A 101 16.393 6.487 -4.456 1.00 0.00 C ATOM 1567 O LYS A 101 16.829 7.636 -4.508 1.00 0.00 O ATOM 1568 CB LYS A 101 14.904 6.202 -6.521 1.00 0.00 C ATOM 1569 CG LYS A 101 14.188 4.962 -7.060 1.00 0.00 C ATOM 1570 CD LYS A 101 14.615 4.665 -8.499 1.00 0.00 C ATOM 1571 CE LYS A 101 14.265 3.228 -8.889 1.00 0.00 C ATOM 1572 NZ LYS A 101 13.665 3.189 -10.242 1.00 0.00 N ATOM 0 H LYS A 101 13.972 7.980 -4.844 1.00 0.00 H new ATOM 0 HA LYS A 101 14.782 5.130 -4.712 1.00 0.00 H new ATOM 0 HB2 LYS A 101 14.368 7.099 -6.831 1.00 0.00 H new ATOM 0 HB3 LYS A 101 15.904 6.264 -6.950 1.00 0.00 H new ATOM 0 HG2 LYS A 101 14.412 4.104 -6.426 1.00 0.00 H new ATOM 0 HG3 LYS A 101 13.109 5.115 -7.021 1.00 0.00 H new ATOM 0 HD2 LYS A 101 14.123 5.360 -9.179 1.00 0.00 H new ATOM 0 HD3 LYS A 101 15.688 4.823 -8.604 1.00 0.00 H new ATOM 0 HE2 LYS A 101 15.162 2.610 -8.865 1.00 0.00 H new ATOM 0 HE3 LYS A 101 13.568 2.808 -8.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 12.810 2.597 -10.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 13.412 4.154 -10.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 14.350 2.789 -10.914 1.00 0.00 H new ATOM 1585 N LYS A 102 17.055 5.456 -3.950 1.00 0.00 N ATOM 1586 CA LYS A 102 18.390 5.620 -3.402 1.00 0.00 C ATOM 1587 C LYS A 102 19.359 5.979 -4.531 1.00 0.00 C ATOM 1588 O LYS A 102 20.318 6.720 -4.318 1.00 0.00 O ATOM 1589 CB LYS A 102 18.801 4.376 -2.612 1.00 0.00 C ATOM 1590 CG LYS A 102 20.050 4.649 -1.771 1.00 0.00 C ATOM 1591 CD LYS A 102 20.141 3.676 -0.593 1.00 0.00 C ATOM 1592 CE LYS A 102 21.558 3.645 -0.016 1.00 0.00 C ATOM 1593 NZ LYS A 102 21.591 2.850 1.232 1.00 0.00 N ATOM 0 H LYS A 102 16.691 4.504 -3.908 1.00 0.00 H new ATOM 0 HA LYS A 102 18.411 6.444 -2.689 1.00 0.00 H new ATOM 0 HB2 LYS A 102 17.982 4.066 -1.963 1.00 0.00 H new ATOM 0 HB3 LYS A 102 18.994 3.552 -3.299 1.00 0.00 H new ATOM 0 HG2 LYS A 102 20.940 4.556 -2.394 1.00 0.00 H new ATOM 0 HG3 LYS A 102 20.026 5.674 -1.400 1.00 0.00 H new ATOM 0 HD2 LYS A 102 19.435 3.972 0.183 1.00 0.00 H new ATOM 0 HD3 LYS A 102 19.855 2.676 -0.920 1.00 0.00 H new ATOM 0 HE2 LYS A 102 22.245 3.216 -0.746 1.00 0.00 H new ATOM 0 HE3 LYS A 102 21.898 4.661 0.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 22.559 2.839 1.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 20.950 3.276 1.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 21.286 1.876 1.031 1.00 0.00 H new ATOM 1607 N VAL A 103 19.075 5.438 -5.706 1.00 0.00 N ATOM 1608 CA VAL A 103 19.909 5.692 -6.869 1.00 0.00 C ATOM 1609 C VAL A 103 19.061 5.570 -8.136 1.00 0.00 C ATOM 1610 O VAL A 103 18.524 4.503 -8.428 1.00 0.00 O ATOM 1611 CB VAL A 103 21.115 4.750 -6.863 1.00 0.00 C ATOM 1612 CG1 VAL A 103 20.933 3.632 -5.835 1.00 0.00 C ATOM 1613 CG2 VAL A 103 21.369 4.176 -8.259 1.00 0.00 C ATOM 0 H VAL A 103 18.279 4.824 -5.878 1.00 0.00 H new ATOM 0 HA VAL A 103 20.306 6.707 -6.841 1.00 0.00 H new ATOM 0 HB VAL A 103 21.992 5.330 -6.574 1.00 0.00 H new ATOM 0 HG11 VAL A 103 21.804 2.977 -5.852 1.00 0.00 H new ATOM 0 HG12 VAL A 103 20.824 4.066 -4.841 1.00 0.00 H new ATOM 0 HG13 VAL A 103 20.041 3.055 -6.079 1.00 0.00 H new ATOM 0 HG21 VAL A 103 22.231 3.510 -8.227 1.00 0.00 H new ATOM 0 HG22 VAL A 103 20.492 3.619 -8.588 1.00 0.00 H new ATOM 0 HG23 VAL A 103 21.565 4.990 -8.957 1.00 0.00 H new ATOM 1623 N GLU A 104 18.967 6.679 -8.856 1.00 0.00 N ATOM 1624 CA GLU A 104 18.194 6.709 -10.085 1.00 0.00 C ATOM 1625 C GLU A 104 18.825 5.790 -11.133 1.00 0.00 C ATOM 1626 O GLU A 104 19.846 5.155 -10.872 1.00 0.00 O ATOM 1627 CB GLU A 104 18.065 8.138 -10.616 1.00 0.00 C ATOM 1628 CG GLU A 104 17.539 9.081 -9.532 1.00 0.00 C ATOM 1629 CD GLU A 104 18.690 9.790 -8.816 1.00 0.00 C ATOM 1630 OE1 GLU A 104 19.228 10.746 -9.415 1.00 0.00 O ATOM 1631 OE2 GLU A 104 19.006 9.360 -7.685 1.00 0.00 O ATOM 0 H GLU A 104 19.414 7.563 -8.611 1.00 0.00 H new ATOM 0 HA GLU A 104 17.190 6.344 -9.868 1.00 0.00 H new ATOM 0 HB2 GLU A 104 19.036 8.488 -10.968 1.00 0.00 H new ATOM 0 HB3 GLU A 104 17.392 8.152 -11.473 1.00 0.00 H new ATOM 0 HG2 GLU A 104 16.874 9.820 -9.979 1.00 0.00 H new ATOM 0 HG3 GLU A 104 16.949 8.517 -8.810 1.00 0.00 H new ATOM 1638 N ASN A 105 18.192 5.748 -12.296 1.00 0.00 N ATOM 1639 CA ASN A 105 18.679 4.917 -13.384 1.00 0.00 C ATOM 1640 C ASN A 105 18.763 3.464 -12.912 1.00 0.00 C ATOM 1641 O ASN A 105 19.711 2.754 -13.244 1.00 0.00 O ATOM 1642 CB ASN A 105 20.077 5.352 -13.826 1.00 0.00 C ATOM 1643 CG ASN A 105 20.198 5.340 -15.351 1.00 0.00 C ATOM 1644 OD1 ASN A 105 20.703 4.406 -15.952 1.00 0.00 O ATOM 1645 ND2 ASN A 105 19.709 6.427 -15.942 1.00 0.00 N ATOM 0 H ASN A 105 17.346 6.276 -12.509 1.00 0.00 H new ATOM 0 HA ASN A 105 17.988 5.019 -14.221 1.00 0.00 H new ATOM 0 HB2 ASN A 105 20.287 6.353 -13.449 1.00 0.00 H new ATOM 0 HB3 ASN A 105 20.823 4.686 -13.393 1.00 0.00 H new ATOM 0 HD21 ASN A 105 19.744 6.515 -16.958 1.00 0.00 H new ATOM 0 HD22 ASN A 105 19.299 7.173 -15.379 1.00 0.00 H new ATOM 1652 N THR A 106 17.759 3.065 -12.144 1.00 0.00 N ATOM 1653 CA THR A 106 17.708 1.710 -11.623 1.00 0.00 C ATOM 1654 C THR A 106 16.313 1.115 -11.822 1.00 0.00 C ATOM 1655 O THR A 106 15.395 1.405 -11.055 1.00 0.00 O ATOM 1656 CB THR A 106 18.149 1.750 -10.159 1.00 0.00 C ATOM 1657 OG1 THR A 106 19.567 1.878 -10.227 1.00 0.00 O ATOM 1658 CG2 THR A 106 17.930 0.414 -9.445 1.00 0.00 C ATOM 0 H THR A 106 16.975 3.657 -11.870 1.00 0.00 H new ATOM 0 HA THR A 106 18.388 1.052 -12.164 1.00 0.00 H new ATOM 0 HB THR A 106 17.602 2.535 -9.637 1.00 0.00 H new ATOM 0 HG1 THR A 106 19.962 1.598 -9.375 1.00 0.00 H new ATOM 0 HG21 THR A 106 18.259 0.497 -8.409 1.00 0.00 H new ATOM 0 HG22 THR A 106 16.871 0.158 -9.470 1.00 0.00 H new ATOM 0 HG23 THR A 106 18.504 -0.365 -9.947 1.00 0.00 H new ATOM 1666 N ARG A 107 16.196 0.293 -12.854 1.00 0.00 N ATOM 1667 CA ARG A 107 14.928 -0.346 -13.163 1.00 0.00 C ATOM 1668 C ARG A 107 14.551 -1.338 -12.061 1.00 0.00 C ATOM 1669 O ARG A 107 15.424 -1.896 -11.398 1.00 0.00 O ATOM 1670 CB ARG A 107 14.995 -1.083 -14.503 1.00 0.00 C ATOM 1671 CG ARG A 107 13.662 -0.986 -15.248 1.00 0.00 C ATOM 1672 CD ARG A 107 13.865 -1.144 -16.756 1.00 0.00 C ATOM 1673 NE ARG A 107 13.005 -0.185 -17.485 1.00 0.00 N ATOM 1674 CZ ARG A 107 12.603 -0.350 -18.753 1.00 0.00 C ATOM 1675 NH1 ARG A 107 12.982 -1.436 -19.440 1.00 0.00 N ATOM 1676 NH2 ARG A 107 11.823 0.572 -19.334 1.00 0.00 N ATOM 0 H ARG A 107 16.959 0.054 -13.487 1.00 0.00 H new ATOM 0 HA ARG A 107 14.170 0.435 -13.228 1.00 0.00 H new ATOM 0 HB2 ARG A 107 15.790 -0.659 -15.116 1.00 0.00 H new ATOM 0 HB3 ARG A 107 15.246 -2.130 -14.334 1.00 0.00 H new ATOM 0 HG2 ARG A 107 12.982 -1.757 -14.886 1.00 0.00 H new ATOM 0 HG3 ARG A 107 13.194 -0.024 -15.039 1.00 0.00 H new ATOM 0 HD2 ARG A 107 14.911 -0.973 -17.010 1.00 0.00 H new ATOM 0 HD3 ARG A 107 13.625 -2.163 -17.059 1.00 0.00 H new ATOM 0 HE ARG A 107 12.699 0.654 -16.992 1.00 0.00 H new ATOM 0 HH11 ARG A 107 13.576 -2.137 -18.998 1.00 0.00 H new ATOM 0 HH12 ARG A 107 12.676 -1.562 -20.405 1.00 0.00 H new ATOM 0 HH21 ARG A 107 11.535 1.399 -18.811 1.00 0.00 H new ATOM 0 HH22 ARG A 107 11.517 0.446 -20.299 1.00 0.00 H new ATOM 1690 N TRP A 108 13.250 -1.527 -11.899 1.00 0.00 N ATOM 1691 CA TRP A 108 12.747 -2.442 -10.889 1.00 0.00 C ATOM 1692 C TRP A 108 11.993 -3.566 -11.603 1.00 0.00 C ATOM 1693 O TRP A 108 10.825 -3.409 -11.956 1.00 0.00 O ATOM 1694 CB TRP A 108 11.887 -1.705 -9.861 1.00 0.00 C ATOM 1695 CG TRP A 108 12.693 -0.951 -8.801 1.00 0.00 C ATOM 1696 CD1 TRP A 108 13.851 -0.294 -8.958 1.00 0.00 C ATOM 1697 CD2 TRP A 108 12.352 -0.801 -7.407 1.00 0.00 C ATOM 1698 NE1 TRP A 108 14.280 0.265 -7.771 1.00 0.00 N ATOM 1699 CE2 TRP A 108 13.340 -0.053 -6.798 1.00 0.00 C ATOM 1700 CE3 TRP A 108 11.247 -1.283 -6.684 1.00 0.00 C ATOM 1701 CZ2 TRP A 108 13.320 0.280 -5.439 1.00 0.00 C ATOM 1702 CZ3 TRP A 108 11.242 -0.941 -5.326 1.00 0.00 C ATOM 1703 CH2 TRP A 108 12.228 -0.188 -4.698 1.00 0.00 C ATOM 0 H TRP A 108 12.529 -1.062 -12.450 1.00 0.00 H new ATOM 0 HA TRP A 108 13.568 -2.879 -10.321 1.00 0.00 H new ATOM 0 HB2 TRP A 108 11.241 -0.998 -10.382 1.00 0.00 H new ATOM 0 HB3 TRP A 108 11.236 -2.425 -9.364 1.00 0.00 H new ATOM 0 HD1 TRP A 108 14.381 -0.212 -9.895 1.00 0.00 H new ATOM 0 HE1 TRP A 108 15.130 0.811 -7.633 1.00 0.00 H new ATOM 0 HE3 TRP A 108 10.464 -1.871 -7.140 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 14.105 0.867 -4.986 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 10.414 -1.286 -4.724 1.00 0.00 H new ATOM 0 HH2 TRP A 108 12.152 0.035 -3.644 1.00 0.00 H new ATOM 1714 N ASP A 109 12.692 -4.676 -11.793 1.00 0.00 N ATOM 1715 CA ASP A 109 12.103 -5.826 -12.458 1.00 0.00 C ATOM 1716 C ASP A 109 11.020 -6.429 -11.561 1.00 0.00 C ATOM 1717 O ASP A 109 10.246 -7.278 -12.001 1.00 0.00 O ATOM 1718 CB ASP A 109 13.153 -6.906 -12.723 1.00 0.00 C ATOM 1719 CG ASP A 109 14.271 -6.499 -13.685 1.00 0.00 C ATOM 1720 OD1 ASP A 109 14.104 -5.445 -14.335 1.00 0.00 O ATOM 1721 OD2 ASP A 109 15.267 -7.252 -13.749 1.00 0.00 O ATOM 0 H ASP A 109 13.660 -4.803 -11.498 1.00 0.00 H new ATOM 0 HA ASP A 109 11.685 -5.489 -13.407 1.00 0.00 H new ATOM 0 HB2 ASP A 109 13.600 -7.198 -11.773 1.00 0.00 H new ATOM 0 HB3 ASP A 109 12.653 -7.788 -13.124 1.00 0.00 H new ATOM 1726 N TYR A 110 11.000 -5.968 -10.319 1.00 0.00 N ATOM 1727 CA TYR A 110 10.025 -6.451 -9.357 1.00 0.00 C ATOM 1728 C TYR A 110 9.906 -5.494 -8.169 1.00 0.00 C ATOM 1729 O TYR A 110 10.858 -4.790 -7.837 1.00 0.00 O ATOM 1730 CB TYR A 110 10.555 -7.797 -8.859 1.00 0.00 C ATOM 1731 CG TYR A 110 10.833 -8.807 -9.975 1.00 0.00 C ATOM 1732 CD1 TYR A 110 9.796 -9.537 -10.518 1.00 0.00 C ATOM 1733 CD2 TYR A 110 12.121 -8.988 -10.437 1.00 0.00 C ATOM 1734 CE1 TYR A 110 10.057 -10.488 -11.568 1.00 0.00 C ATOM 1735 CE2 TYR A 110 12.382 -9.938 -11.487 1.00 0.00 C ATOM 1736 CZ TYR A 110 11.337 -10.641 -12.001 1.00 0.00 C ATOM 1737 OH TYR A 110 11.584 -11.539 -12.992 1.00 0.00 O ATOM 0 H TYR A 110 11.644 -5.265 -9.957 1.00 0.00 H new ATOM 0 HA TYR A 110 9.040 -6.533 -9.817 1.00 0.00 H new ATOM 0 HB2 TYR A 110 11.474 -7.629 -8.298 1.00 0.00 H new ATOM 0 HB3 TYR A 110 9.832 -8.227 -8.166 1.00 0.00 H new ATOM 0 HD1 TYR A 110 8.788 -9.395 -10.156 1.00 0.00 H new ATOM 0 HD2 TYR A 110 12.933 -8.417 -10.011 1.00 0.00 H new ATOM 0 HE1 TYR A 110 9.254 -11.066 -12.001 1.00 0.00 H new ATOM 0 HE2 TYR A 110 13.385 -10.089 -11.858 1.00 0.00 H new ATOM 0 HH TYR A 110 12.542 -11.541 -13.200 1.00 0.00 H new ATOM 1747 N LEU A 111 8.728 -5.498 -7.562 1.00 0.00 N ATOM 1748 CA LEU A 111 8.472 -4.639 -6.419 1.00 0.00 C ATOM 1749 C LEU A 111 9.322 -5.104 -5.236 1.00 0.00 C ATOM 1750 O LEU A 111 9.789 -4.288 -4.443 1.00 0.00 O ATOM 1751 CB LEU A 111 6.973 -4.584 -6.115 1.00 0.00 C ATOM 1752 CG LEU A 111 6.439 -3.241 -5.613 1.00 0.00 C ATOM 1753 CD1 LEU A 111 4.978 -3.362 -5.174 1.00 0.00 C ATOM 1754 CD2 LEU A 111 7.327 -2.679 -4.502 1.00 0.00 C ATOM 0 H LEU A 111 7.940 -6.083 -7.841 1.00 0.00 H new ATOM 0 HA LEU A 111 8.767 -3.613 -6.640 1.00 0.00 H new ATOM 0 HB2 LEU A 111 6.429 -4.853 -7.020 1.00 0.00 H new ATOM 0 HB3 LEU A 111 6.746 -5.345 -5.368 1.00 0.00 H new ATOM 0 HG LEU A 111 6.469 -2.531 -6.439 1.00 0.00 H new ATOM 0 HD11 LEU A 111 4.623 -2.394 -4.822 1.00 0.00 H new ATOM 0 HD12 LEU A 111 4.370 -3.686 -6.019 1.00 0.00 H new ATOM 0 HD13 LEU A 111 4.899 -4.092 -4.369 1.00 0.00 H new ATOM 0 HD21 LEU A 111 6.925 -1.724 -4.163 1.00 0.00 H new ATOM 0 HD22 LEU A 111 7.352 -3.379 -3.667 1.00 0.00 H new ATOM 0 HD23 LEU A 111 8.338 -2.533 -4.883 1.00 0.00 H new ATOM 1766 N THR A 112 9.498 -6.415 -5.154 1.00 0.00 N ATOM 1767 CA THR A 112 10.285 -6.999 -4.081 1.00 0.00 C ATOM 1768 C THR A 112 11.175 -8.120 -4.621 1.00 0.00 C ATOM 1769 O THR A 112 10.860 -8.730 -5.641 1.00 0.00 O ATOM 1770 CB THR A 112 9.321 -7.462 -2.986 1.00 0.00 C ATOM 1771 OG1 THR A 112 8.271 -8.108 -3.699 1.00 0.00 O ATOM 1772 CG2 THR A 112 8.629 -6.292 -2.282 1.00 0.00 C ATOM 0 H THR A 112 9.109 -7.089 -5.813 1.00 0.00 H new ATOM 0 HA THR A 112 10.966 -6.267 -3.647 1.00 0.00 H new ATOM 0 HB THR A 112 9.864 -8.057 -2.252 1.00 0.00 H new ATOM 0 HG1 THR A 112 7.602 -8.441 -3.065 1.00 0.00 H new ATOM 0 HG21 THR A 112 7.956 -6.675 -1.515 1.00 0.00 H new ATOM 0 HG22 THR A 112 9.379 -5.651 -1.819 1.00 0.00 H new ATOM 0 HG23 THR A 112 8.058 -5.716 -3.010 1.00 0.00 H new