USER MOD reduce.3.24.130724 H: found=0, std=0, add=855, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 854 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 23 MET CE :methyl -154:sc= -0.0352 (180deg=-0.32) USER MOD Set 1.2: A 103 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 14 TYR OH : rot -153:sc= -0.793 USER MOD Set 2.2: A 62 HIS : no HE2:sc= -1.03 K(o=-1.8,f=-3.7) USER MOD Single : A 13 SER OG : rot 30:sc= 0.164 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.0063 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -4.41 K(o=-4.4,f=-8.2!) USER MOD Single : A 41 SER OG : rot -66:sc= 0.902 USER MOD Single : A 46 CYS SG : rot 64:sc= 1.01 USER MOD Single : A 47 LYS NZ :NH3+ 176:sc= 1.14 (180deg=0.952) USER MOD Single : A 49 MET CE :methyl -110:sc= -1.28 (180deg=-4.11!) USER MOD Single : A 66 GLN : amide:sc= -0.545 X(o=-0.54,f=-0.9) USER MOD Single : A 67 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0582) USER MOD Single : A 69 LYS NZ :NH3+ 175:sc= 1.01 (180deg=0.979) USER MOD Single : A 75 CYS SG : rot 164:sc= -3.27! USER MOD Single : A 76 TYR OH : rot 104:sc= 0.144 USER MOD Single : A 79 LYS NZ :NH3+ 167:sc= -0.0336 (180deg=-0.234) USER MOD Single : A 83 TYR OH : rot 180:sc= -0.259 USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.0397 USER MOD Single : A 85 LYS NZ :NH3+ -169:sc= -0.84! (180deg=-1.14) USER MOD Single : A 87 ASN : amide:sc= -0.16 K(o=-0.16,f=-4.7!) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.0244 USER MOD Single : A 91 HIS : no HE2:sc= -5.18! C(o=-5.2!,f=-10!) USER MOD Single : A 92 HIS : no HD1:sc= -0.52 X(o=-0.52,f=-0.84) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= -0.656 X(o=-0.66,f=-0.26) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 GLN : amide:sc= -0.353 K(o=-0.35,f=-3.5!) USER MOD Single : A 106 SER OG : rot 180:sc= -0.0189 USER MOD Single : A 119 LYS NZ :NH3+ -161:sc= -2.29! (180deg=-2.68!) USER MOD ----------------------------------------------------------------- ATOM 163 N SER A 13 3.532 14.082 -5.226 1.00 0.00 N ATOM 164 CA SER A 13 2.888 13.664 -6.474 1.00 0.00 C ATOM 165 C SER A 13 2.056 12.394 -6.254 1.00 0.00 C ATOM 166 O SER A 13 1.522 11.806 -7.199 1.00 0.00 O ATOM 167 CB SER A 13 3.959 13.426 -7.542 1.00 0.00 C ATOM 168 OG SER A 13 4.784 14.570 -7.689 1.00 0.00 O ATOM 0 HA SER A 13 2.214 14.452 -6.810 1.00 0.00 H new ATOM 0 HB2 SER A 13 4.568 12.565 -7.267 1.00 0.00 H new ATOM 0 HB3 SER A 13 3.484 13.189 -8.494 1.00 0.00 H new ATOM 0 HG SER A 13 4.841 15.044 -6.833 1.00 0.00 H new ATOM 174 N TYR A 14 1.971 11.978 -4.994 1.00 0.00 N ATOM 175 CA TYR A 14 1.161 10.840 -4.583 1.00 0.00 C ATOM 176 C TYR A 14 -0.288 10.978 -5.055 1.00 0.00 C ATOM 177 O TYR A 14 -0.890 12.046 -4.935 1.00 0.00 O ATOM 178 CB TYR A 14 1.174 10.730 -3.052 1.00 0.00 C ATOM 179 CG TYR A 14 2.387 10.036 -2.459 1.00 0.00 C ATOM 180 CD1 TYR A 14 3.685 10.255 -2.933 1.00 0.00 C ATOM 181 CD2 TYR A 14 2.222 9.151 -1.402 1.00 0.00 C ATOM 182 CE1 TYR A 14 4.760 9.601 -2.361 1.00 0.00 C ATOM 183 CE2 TYR A 14 3.294 8.504 -0.832 1.00 0.00 C ATOM 184 CZ TYR A 14 4.559 8.729 -1.314 1.00 0.00 C ATOM 185 OH TYR A 14 5.628 8.093 -0.733 1.00 0.00 O ATOM 0 H TYR A 14 2.467 12.426 -4.224 1.00 0.00 H new ATOM 0 HA TYR A 14 1.588 9.946 -5.037 1.00 0.00 H new ATOM 0 HB2 TYR A 14 1.110 11.734 -2.632 1.00 0.00 H new ATOM 0 HB3 TYR A 14 0.279 10.194 -2.736 1.00 0.00 H new ATOM 0 HD1 TYR A 14 3.848 10.940 -3.752 1.00 0.00 H new ATOM 0 HD2 TYR A 14 1.229 8.966 -1.018 1.00 0.00 H new ATOM 0 HE1 TYR A 14 5.758 9.774 -2.735 1.00 0.00 H new ATOM 0 HE2 TYR A 14 3.141 7.822 -0.009 1.00 0.00 H new ATOM 0 HH TYR A 14 5.332 7.244 -0.344 1.00 0.00 H new ATOM 195 N ILE A 15 -0.838 9.890 -5.584 1.00 0.00 N ATOM 196 CA ILE A 15 -2.263 9.821 -5.892 1.00 0.00 C ATOM 197 C ILE A 15 -3.008 9.243 -4.691 1.00 0.00 C ATOM 198 O ILE A 15 -4.183 9.537 -4.461 1.00 0.00 O ATOM 199 CB ILE A 15 -2.543 8.954 -7.149 1.00 0.00 C ATOM 200 CG1 ILE A 15 -2.042 7.512 -6.944 1.00 0.00 C ATOM 201 CG2 ILE A 15 -1.897 9.581 -8.385 1.00 0.00 C ATOM 202 CD1 ILE A 15 -2.359 6.578 -8.095 1.00 0.00 C ATOM 0 H ILE A 15 -0.318 9.042 -5.809 1.00 0.00 H new ATOM 0 HA ILE A 15 -2.613 10.831 -6.105 1.00 0.00 H new ATOM 0 HB ILE A 15 -3.621 8.916 -7.305 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.963 7.532 -6.793 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -2.485 7.111 -6.032 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -2.103 8.961 -9.257 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -2.307 10.578 -8.544 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -0.820 9.652 -8.236 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.973 5.583 -7.873 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -3.439 6.526 -8.234 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.893 6.953 -9.007 1.00 0.00 H new ATOM 214 N VAL A 16 -2.290 8.421 -3.926 1.00 0.00 N ATOM 215 CA VAL A 16 -2.804 7.805 -2.706 1.00 0.00 C ATOM 216 C VAL A 16 -1.727 7.869 -1.625 1.00 0.00 C ATOM 217 O VAL A 16 -0.552 7.634 -1.910 1.00 0.00 O ATOM 218 CB VAL A 16 -3.201 6.317 -2.932 1.00 0.00 C ATOM 219 CG1 VAL A 16 -3.727 5.687 -1.641 1.00 0.00 C ATOM 220 CG2 VAL A 16 -4.232 6.188 -4.052 1.00 0.00 C ATOM 0 H VAL A 16 -1.327 8.163 -4.139 1.00 0.00 H new ATOM 0 HA VAL A 16 -3.696 8.352 -2.402 1.00 0.00 H new ATOM 0 HB VAL A 16 -2.303 5.777 -3.233 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -3.997 4.648 -1.827 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.954 5.729 -0.874 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -4.606 6.235 -1.301 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -4.491 5.138 -4.189 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -5.127 6.752 -3.789 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -3.814 6.582 -4.978 1.00 0.00 H new ATOM 230 N ARG A 17 -2.120 8.193 -0.397 1.00 0.00 N ATOM 231 CA ARG A 17 -1.180 8.261 0.722 1.00 0.00 C ATOM 232 C ARG A 17 -1.871 7.848 2.020 1.00 0.00 C ATOM 233 O ARG A 17 -2.995 8.271 2.300 1.00 0.00 O ATOM 234 CB ARG A 17 -0.586 9.676 0.840 1.00 0.00 C ATOM 235 CG ARG A 17 -1.631 10.781 0.961 1.00 0.00 C ATOM 236 CD ARG A 17 -1.003 12.172 0.921 1.00 0.00 C ATOM 237 NE ARG A 17 -2.010 13.224 1.083 1.00 0.00 N ATOM 238 CZ ARG A 17 -1.830 14.510 0.773 1.00 0.00 C ATOM 239 NH1 ARG A 17 -0.683 14.932 0.242 1.00 0.00 N ATOM 240 NH2 ARG A 17 -2.809 15.374 0.987 1.00 0.00 N ATOM 0 H ARG A 17 -3.085 8.413 -0.149 1.00 0.00 H new ATOM 0 HA ARG A 17 -0.362 7.566 0.535 1.00 0.00 H new ATOM 0 HB2 ARG A 17 0.068 9.712 1.711 1.00 0.00 H new ATOM 0 HB3 ARG A 17 0.035 9.872 -0.034 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -2.354 10.686 0.150 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -2.181 10.659 1.894 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -0.257 12.258 1.711 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -0.482 12.309 -0.026 1.00 0.00 H new ATOM 0 HE ARG A 17 -2.918 12.953 1.461 1.00 0.00 H new ATOM 0 HH11 ARG A 17 0.072 14.269 0.067 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -0.560 15.918 0.010 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -3.692 15.056 1.386 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -2.681 16.359 0.753 1.00 0.00 H new ATOM 254 N VAL A 18 -1.198 7.003 2.795 1.00 0.00 N ATOM 255 CA VAL A 18 -1.742 6.478 4.047 1.00 0.00 C ATOM 256 C VAL A 18 -0.700 6.566 5.163 1.00 0.00 C ATOM 257 O VAL A 18 0.458 6.931 4.927 1.00 0.00 O ATOM 258 CB VAL A 18 -2.204 5.001 3.901 1.00 0.00 C ATOM 259 CG1 VAL A 18 -3.348 4.881 2.895 1.00 0.00 C ATOM 260 CG2 VAL A 18 -1.034 4.098 3.504 1.00 0.00 C ATOM 0 H VAL A 18 -0.262 6.662 2.575 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.608 7.089 4.299 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.573 4.669 4.872 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -3.652 3.837 2.812 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.194 5.479 3.233 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.015 5.240 1.921 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.384 3.070 3.408 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.624 4.432 2.551 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.260 4.148 4.270 1.00 0.00 H new ATOM 270 N LYS A 19 -1.125 6.225 6.374 1.00 0.00 N ATOM 271 CA LYS A 19 -0.261 6.234 7.551 1.00 0.00 C ATOM 272 C LYS A 19 -0.393 4.897 8.276 1.00 0.00 C ATOM 273 O LYS A 19 -1.496 4.520 8.672 1.00 0.00 O ATOM 274 CB LYS A 19 -0.659 7.391 8.481 1.00 0.00 C ATOM 275 CG LYS A 19 0.145 7.461 9.778 1.00 0.00 C ATOM 276 CD LYS A 19 -0.325 8.608 10.677 1.00 0.00 C ATOM 277 CE LYS A 19 -1.790 8.457 11.084 1.00 0.00 C ATOM 278 NZ LYS A 19 -2.261 9.593 11.923 1.00 0.00 N ATOM 0 H LYS A 19 -2.083 5.933 6.569 1.00 0.00 H new ATOM 0 HA LYS A 19 0.776 6.377 7.248 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -0.540 8.331 7.943 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -1.716 7.296 8.728 1.00 0.00 H new ATOM 0 HG2 LYS A 19 0.052 6.517 10.315 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.202 7.592 9.544 1.00 0.00 H new ATOM 0 HD2 LYS A 19 0.297 8.645 11.571 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -0.190 9.555 10.155 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -2.409 8.388 10.189 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -1.918 7.524 11.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -3.259 9.448 12.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -1.689 9.645 12.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -2.164 10.481 11.391 1.00 0.00 H new ATOM 292 N ALA A 20 0.722 4.181 8.429 1.00 0.00 N ATOM 293 CA ALA A 20 0.701 2.856 9.046 1.00 0.00 C ATOM 294 C ALA A 20 2.117 2.355 9.331 1.00 0.00 C ATOM 295 O ALA A 20 3.093 3.085 9.148 1.00 0.00 O ATOM 296 CB ALA A 20 -0.042 1.871 8.145 1.00 0.00 C ATOM 0 H ALA A 20 1.647 4.496 8.135 1.00 0.00 H new ATOM 0 HA ALA A 20 0.177 2.932 9.999 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.052 0.887 8.613 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -1.066 2.214 7.998 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.462 1.809 7.180 1.00 0.00 H new ATOM 302 N VAL A 21 2.218 1.109 9.784 1.00 0.00 N ATOM 303 CA VAL A 21 3.503 0.479 10.082 1.00 0.00 C ATOM 304 C VAL A 21 4.011 -0.277 8.857 1.00 0.00 C ATOM 305 O VAL A 21 3.223 -0.877 8.127 1.00 0.00 O ATOM 306 CB VAL A 21 3.373 -0.501 11.279 1.00 0.00 C ATOM 307 CG1 VAL A 21 4.697 -1.208 11.565 1.00 0.00 C ATOM 308 CG2 VAL A 21 2.869 0.231 12.523 1.00 0.00 C ATOM 0 H VAL A 21 1.413 0.507 9.955 1.00 0.00 H new ATOM 0 HA VAL A 21 4.213 1.263 10.347 1.00 0.00 H new ATOM 0 HB VAL A 21 2.642 -1.263 11.008 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.572 -1.887 12.409 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.004 -1.774 10.686 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.460 -0.468 11.805 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.785 -0.473 13.351 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.571 1.021 12.789 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.892 0.668 12.317 1.00 0.00 H new ATOM 318 N VAL A 22 5.321 -0.247 8.622 1.00 0.00 N ATOM 319 CA VAL A 22 5.908 -0.941 7.477 1.00 0.00 C ATOM 320 C VAL A 22 6.876 -2.033 7.922 1.00 0.00 C ATOM 321 O VAL A 22 7.714 -1.827 8.808 1.00 0.00 O ATOM 322 CB VAL A 22 6.634 0.034 6.515 1.00 0.00 C ATOM 323 CG1 VAL A 22 5.638 1.010 5.898 1.00 0.00 C ATOM 324 CG2 VAL A 22 7.758 0.781 7.227 1.00 0.00 C ATOM 0 H VAL A 22 5.994 0.248 9.206 1.00 0.00 H new ATOM 0 HA VAL A 22 5.078 -1.400 6.939 1.00 0.00 H new ATOM 0 HB VAL A 22 7.085 -0.553 5.715 1.00 0.00 H new ATOM 0 HG11 VAL A 22 6.163 1.688 5.225 1.00 0.00 H new ATOM 0 HG12 VAL A 22 4.884 0.456 5.339 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.155 1.585 6.688 1.00 0.00 H new ATOM 0 HG21 VAL A 22 8.247 1.457 6.525 1.00 0.00 H new ATOM 0 HG22 VAL A 22 7.345 1.356 8.056 1.00 0.00 H new ATOM 0 HG23 VAL A 22 8.486 0.065 7.609 1.00 0.00 H new ATOM 334 N MET A 23 6.738 -3.195 7.297 1.00 0.00 N ATOM 335 CA MET A 23 7.591 -4.349 7.558 1.00 0.00 C ATOM 336 C MET A 23 8.325 -4.726 6.275 1.00 0.00 C ATOM 337 O MET A 23 8.006 -4.215 5.201 1.00 0.00 O ATOM 338 CB MET A 23 6.750 -5.545 8.034 1.00 0.00 C ATOM 339 CG MET A 23 5.939 -5.284 9.296 1.00 0.00 C ATOM 340 SD MET A 23 6.974 -4.914 10.723 1.00 0.00 S ATOM 341 CE MET A 23 5.733 -4.752 12.004 1.00 0.00 C ATOM 0 H MET A 23 6.025 -3.365 6.588 1.00 0.00 H new ATOM 0 HA MET A 23 8.306 -4.092 8.339 1.00 0.00 H new ATOM 0 HB2 MET A 23 6.070 -5.836 7.234 1.00 0.00 H new ATOM 0 HB3 MET A 23 7.413 -6.391 8.212 1.00 0.00 H new ATOM 0 HG2 MET A 23 5.259 -4.451 9.120 1.00 0.00 H new ATOM 0 HG3 MET A 23 5.324 -6.157 9.515 1.00 0.00 H new ATOM 0 HE1 MET A 23 6.108 -4.102 12.794 1.00 0.00 H new ATOM 0 HE2 MET A 23 4.826 -4.321 11.580 1.00 0.00 H new ATOM 0 HE3 MET A 23 5.508 -5.734 12.419 1.00 0.00 H new ATOM 351 N THR A 24 9.298 -5.615 6.387 1.00 0.00 N ATOM 352 CA THR A 24 9.996 -6.134 5.221 1.00 0.00 C ATOM 353 C THR A 24 10.548 -7.520 5.524 1.00 0.00 C ATOM 354 O THR A 24 10.731 -7.884 6.687 1.00 0.00 O ATOM 355 CB THR A 24 11.140 -5.192 4.766 1.00 0.00 C ATOM 356 OG1 THR A 24 11.757 -5.699 3.575 1.00 0.00 O ATOM 357 CG2 THR A 24 12.191 -5.023 5.855 1.00 0.00 C ATOM 0 H THR A 24 9.624 -5.994 7.276 1.00 0.00 H new ATOM 0 HA THR A 24 9.278 -6.196 4.403 1.00 0.00 H new ATOM 0 HB THR A 24 10.701 -4.216 4.562 1.00 0.00 H new ATOM 0 HG1 THR A 24 12.477 -5.095 3.297 1.00 0.00 H new ATOM 0 HG21 THR A 24 12.978 -4.356 5.501 1.00 0.00 H new ATOM 0 HG22 THR A 24 11.728 -4.597 6.745 1.00 0.00 H new ATOM 0 HG23 THR A 24 12.621 -5.994 6.099 1.00 0.00 H new ATOM 365 N ARG A 25 10.786 -8.300 4.481 1.00 0.00 N ATOM 366 CA ARG A 25 11.345 -9.633 4.636 1.00 0.00 C ATOM 367 C ARG A 25 12.553 -9.784 3.725 1.00 0.00 C ATOM 368 O ARG A 25 12.418 -9.799 2.498 1.00 0.00 O ATOM 369 CB ARG A 25 10.299 -10.708 4.308 1.00 0.00 C ATOM 370 CG ARG A 25 10.672 -12.092 4.834 1.00 0.00 C ATOM 371 CD ARG A 25 9.738 -13.176 4.312 1.00 0.00 C ATOM 372 NE ARG A 25 10.017 -13.509 2.911 1.00 0.00 N ATOM 373 CZ ARG A 25 9.390 -14.469 2.230 1.00 0.00 C ATOM 374 NH1 ARG A 25 8.381 -15.137 2.775 1.00 0.00 N ATOM 375 NH2 ARG A 25 9.764 -14.748 0.989 1.00 0.00 N ATOM 0 H ARG A 25 10.600 -8.031 3.515 1.00 0.00 H new ATOM 0 HA ARG A 25 11.651 -9.766 5.674 1.00 0.00 H new ATOM 0 HB2 ARG A 25 9.339 -10.412 4.731 1.00 0.00 H new ATOM 0 HB3 ARG A 25 10.168 -10.760 3.227 1.00 0.00 H new ATOM 0 HG2 ARG A 25 11.696 -12.326 4.543 1.00 0.00 H new ATOM 0 HG3 ARG A 25 10.644 -12.084 5.924 1.00 0.00 H new ATOM 0 HD2 ARG A 25 9.841 -14.071 4.926 1.00 0.00 H new ATOM 0 HD3 ARG A 25 8.705 -12.842 4.407 1.00 0.00 H new ATOM 0 HE ARG A 25 10.736 -12.972 2.427 1.00 0.00 H new ATOM 0 HH11 ARG A 25 8.078 -14.918 3.724 1.00 0.00 H new ATOM 0 HH12 ARG A 25 7.909 -15.869 2.245 1.00 0.00 H new ATOM 0 HH21 ARG A 25 10.529 -14.229 0.558 1.00 0.00 H new ATOM 0 HH22 ARG A 25 9.287 -15.482 0.465 1.00 0.00 H new ATOM 389 N ASP A 26 13.732 -9.874 4.332 1.00 0.00 N ATOM 390 CA ASP A 26 14.976 -10.040 3.589 1.00 0.00 C ATOM 391 C ASP A 26 14.927 -11.349 2.806 1.00 0.00 C ATOM 392 O ASP A 26 15.176 -12.415 3.365 1.00 0.00 O ATOM 393 CB ASP A 26 16.175 -10.016 4.548 1.00 0.00 C ATOM 394 CG ASP A 26 17.516 -10.114 3.834 1.00 0.00 C ATOM 395 OD1 ASP A 26 17.805 -9.249 2.983 1.00 0.00 O ATOM 396 OD2 ASP A 26 18.301 -11.038 4.149 1.00 0.00 O ATOM 0 H ASP A 26 13.852 -9.834 5.344 1.00 0.00 H new ATOM 0 HA ASP A 26 15.094 -9.215 2.886 1.00 0.00 H new ATOM 0 HB2 ASP A 26 16.147 -9.095 5.131 1.00 0.00 H new ATOM 0 HB3 ASP A 26 16.085 -10.842 5.253 1.00 0.00 H new ATOM 401 N ASP A 27 14.581 -11.240 1.517 1.00 0.00 N ATOM 402 CA ASP A 27 14.252 -12.385 0.644 1.00 0.00 C ATOM 403 C ASP A 27 13.287 -13.367 1.323 1.00 0.00 C ATOM 404 O ASP A 27 12.090 -13.368 1.025 1.00 0.00 O ATOM 405 CB ASP A 27 15.501 -13.107 0.059 1.00 0.00 C ATOM 406 CG ASP A 27 16.583 -13.484 1.068 1.00 0.00 C ATOM 407 OD1 ASP A 27 16.449 -14.521 1.750 1.00 0.00 O ATOM 408 OD2 ASP A 27 17.604 -12.764 1.145 1.00 0.00 O ATOM 0 H ASP A 27 14.519 -10.341 1.039 1.00 0.00 H new ATOM 0 HA ASP A 27 13.735 -11.957 -0.214 1.00 0.00 H new ATOM 0 HB2 ASP A 27 15.170 -14.014 -0.446 1.00 0.00 H new ATOM 0 HB3 ASP A 27 15.947 -12.464 -0.700 1.00 0.00 H new ATOM 413 N SER A 28 13.786 -14.172 2.250 1.00 0.00 N ATOM 414 CA SER A 28 12.969 -15.145 2.962 1.00 0.00 C ATOM 415 C SER A 28 13.389 -15.210 4.427 1.00 0.00 C ATOM 416 O SER A 28 14.544 -14.929 4.761 1.00 0.00 O ATOM 417 CB SER A 28 13.093 -16.524 2.301 1.00 0.00 C ATOM 418 OG SER A 28 12.599 -16.496 0.969 1.00 0.00 O ATOM 0 H SER A 28 14.767 -14.169 2.530 1.00 0.00 H new ATOM 0 HA SER A 28 11.925 -14.834 2.916 1.00 0.00 H new ATOM 0 HB2 SER A 28 14.137 -16.838 2.299 1.00 0.00 H new ATOM 0 HB3 SER A 28 12.540 -17.261 2.883 1.00 0.00 H new ATOM 0 HG SER A 28 12.690 -17.385 0.568 1.00 0.00 H new ATOM 424 N SER A 29 12.439 -15.569 5.294 1.00 0.00 N ATOM 425 CA SER A 29 12.675 -15.661 6.733 1.00 0.00 C ATOM 426 C SER A 29 12.942 -14.280 7.347 1.00 0.00 C ATOM 427 O SER A 29 13.148 -13.294 6.631 1.00 0.00 O ATOM 428 CB SER A 29 13.833 -16.627 7.026 1.00 0.00 C ATOM 429 OG SER A 29 13.593 -17.893 6.431 1.00 0.00 O ATOM 0 H SER A 29 11.486 -15.803 5.016 1.00 0.00 H new ATOM 0 HA SER A 29 11.771 -16.055 7.198 1.00 0.00 H new ATOM 0 HB2 SER A 29 14.765 -16.211 6.644 1.00 0.00 H new ATOM 0 HB3 SER A 29 13.953 -16.743 8.103 1.00 0.00 H new ATOM 0 HG SER A 29 14.342 -18.494 6.627 1.00 0.00 H new ATOM 435 N GLY A 30 12.920 -14.214 8.673 1.00 0.00 N ATOM 436 CA GLY A 30 13.098 -12.954 9.374 1.00 0.00 C ATOM 437 C GLY A 30 11.850 -12.556 10.136 1.00 0.00 C ATOM 438 O GLY A 30 11.855 -11.577 10.886 1.00 0.00 O ATOM 0 H GLY A 30 12.780 -15.020 9.282 1.00 0.00 H new ATOM 0 HA2 GLY A 30 13.936 -13.038 10.066 1.00 0.00 H new ATOM 0 HA3 GLY A 30 13.352 -12.172 8.658 1.00 0.00 H new ATOM 442 N GLY A 31 10.778 -13.325 9.940 1.00 0.00 N ATOM 443 CA GLY A 31 9.514 -13.060 10.613 1.00 0.00 C ATOM 444 C GLY A 31 8.956 -11.683 10.305 1.00 0.00 C ATOM 445 O GLY A 31 8.212 -11.120 11.108 1.00 0.00 O ATOM 0 H GLY A 31 10.764 -14.135 9.320 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.786 -13.815 10.318 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.655 -13.157 11.690 1.00 0.00 H new ATOM 449 N TRP A 32 9.311 -11.157 9.131 1.00 0.00 N ATOM 450 CA TRP A 32 8.919 -9.807 8.715 1.00 0.00 C ATOM 451 C TRP A 32 9.408 -8.763 9.721 1.00 0.00 C ATOM 452 O TRP A 32 8.793 -8.539 10.765 1.00 0.00 O ATOM 453 CB TRP A 32 7.397 -9.709 8.492 1.00 0.00 C ATOM 454 CG TRP A 32 6.941 -10.509 7.306 1.00 0.00 C ATOM 455 CD1 TRP A 32 6.601 -11.833 7.274 1.00 0.00 C ATOM 456 CD2 TRP A 32 6.794 -10.026 5.969 1.00 0.00 C ATOM 457 NE1 TRP A 32 6.253 -12.198 5.994 1.00 0.00 N ATOM 458 CE2 TRP A 32 6.359 -11.104 5.175 1.00 0.00 C ATOM 459 CE3 TRP A 32 6.986 -8.781 5.370 1.00 0.00 C ATOM 460 CZ2 TRP A 32 6.116 -10.968 3.810 1.00 0.00 C ATOM 461 CZ3 TRP A 32 6.745 -8.650 4.020 1.00 0.00 C ATOM 462 CH2 TRP A 32 6.313 -9.738 3.254 1.00 0.00 C ATOM 0 H TRP A 32 9.877 -11.653 8.443 1.00 0.00 H new ATOM 0 HA TRP A 32 9.399 -9.597 7.759 1.00 0.00 H new ATOM 0 HB2 TRP A 32 6.878 -10.059 9.384 1.00 0.00 H new ATOM 0 HB3 TRP A 32 7.119 -8.664 8.351 1.00 0.00 H new ATOM 0 HD1 TRP A 32 6.605 -12.495 8.128 1.00 0.00 H new ATOM 0 HE1 TRP A 32 5.963 -13.131 5.702 1.00 0.00 H new ATOM 0 HE3 TRP A 32 7.318 -7.935 5.954 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 5.784 -11.805 3.214 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 6.892 -7.691 3.545 1.00 0.00 H new ATOM 0 HH2 TRP A 32 6.131 -9.601 2.198 1.00 0.00 H new ATOM 473 N PHE A 33 10.536 -8.140 9.401 1.00 0.00 N ATOM 474 CA PHE A 33 11.181 -7.196 10.305 1.00 0.00 C ATOM 475 C PHE A 33 10.925 -5.756 9.863 1.00 0.00 C ATOM 476 O PHE A 33 10.950 -5.454 8.669 1.00 0.00 O ATOM 477 CB PHE A 33 12.695 -7.475 10.377 1.00 0.00 C ATOM 478 CG PHE A 33 13.455 -7.249 9.084 1.00 0.00 C ATOM 479 CD1 PHE A 33 13.470 -8.214 8.081 1.00 0.00 C ATOM 480 CD2 PHE A 33 14.178 -6.081 8.883 1.00 0.00 C ATOM 481 CE1 PHE A 33 14.185 -8.011 6.916 1.00 0.00 C ATOM 482 CE2 PHE A 33 14.897 -5.881 7.720 1.00 0.00 C ATOM 483 CZ PHE A 33 14.900 -6.846 6.736 1.00 0.00 C ATOM 0 H PHE A 33 11.025 -8.273 8.516 1.00 0.00 H new ATOM 0 HA PHE A 33 10.752 -7.327 11.299 1.00 0.00 H new ATOM 0 HB2 PHE A 33 13.129 -6.841 11.150 1.00 0.00 H new ATOM 0 HB3 PHE A 33 12.843 -8.508 10.691 1.00 0.00 H new ATOM 0 HD1 PHE A 33 12.917 -9.132 8.215 1.00 0.00 H new ATOM 0 HD2 PHE A 33 14.179 -5.317 9.647 1.00 0.00 H new ATOM 0 HE1 PHE A 33 14.184 -8.767 6.145 1.00 0.00 H new ATOM 0 HE2 PHE A 33 15.457 -4.968 7.582 1.00 0.00 H new ATOM 0 HZ PHE A 33 15.461 -6.690 5.826 1.00 0.00 H new ATOM 493 N PRO A 34 10.642 -4.850 10.816 1.00 0.00 N ATOM 494 CA PRO A 34 10.536 -3.425 10.533 1.00 0.00 C ATOM 495 C PRO A 34 11.918 -2.787 10.431 1.00 0.00 C ATOM 496 O PRO A 34 12.676 -2.771 11.404 1.00 0.00 O ATOM 497 CB PRO A 34 9.757 -2.852 11.739 1.00 0.00 C ATOM 498 CG PRO A 34 9.436 -4.022 12.621 1.00 0.00 C ATOM 499 CD PRO A 34 10.382 -5.130 12.232 1.00 0.00 C ATOM 0 HA PRO A 34 10.039 -3.227 9.583 1.00 0.00 H new ATOM 0 HB2 PRO A 34 10.354 -2.113 12.273 1.00 0.00 H new ATOM 0 HB3 PRO A 34 8.847 -2.349 11.412 1.00 0.00 H new ATOM 0 HG2 PRO A 34 9.558 -3.760 13.672 1.00 0.00 H new ATOM 0 HG3 PRO A 34 8.400 -4.334 12.489 1.00 0.00 H new ATOM 0 HD2 PRO A 34 11.297 -5.108 12.824 1.00 0.00 H new ATOM 0 HD3 PRO A 34 9.934 -6.113 12.375 1.00 0.00 H new ATOM 507 N GLN A 35 12.253 -2.295 9.243 1.00 0.00 N ATOM 508 CA GLN A 35 13.508 -1.583 9.026 1.00 0.00 C ATOM 509 C GLN A 35 13.530 -0.261 9.812 1.00 0.00 C ATOM 510 O GLN A 35 12.748 -0.075 10.744 1.00 0.00 O ATOM 511 CB GLN A 35 13.734 -1.355 7.514 1.00 0.00 C ATOM 512 CG GLN A 35 12.480 -0.975 6.721 1.00 0.00 C ATOM 513 CD GLN A 35 11.758 0.238 7.283 1.00 0.00 C ATOM 514 OE1 GLN A 35 12.071 1.374 6.942 1.00 0.00 O ATOM 515 NE2 GLN A 35 10.775 0.002 8.139 1.00 0.00 N ATOM 0 H GLN A 35 11.669 -2.377 8.411 1.00 0.00 H new ATOM 0 HA GLN A 35 14.330 -2.193 9.400 1.00 0.00 H new ATOM 0 HB2 GLN A 35 14.477 -0.568 7.388 1.00 0.00 H new ATOM 0 HB3 GLN A 35 14.156 -2.264 7.084 1.00 0.00 H new ATOM 0 HG2 GLN A 35 12.759 -0.776 5.686 1.00 0.00 H new ATOM 0 HG3 GLN A 35 11.795 -1.823 6.709 1.00 0.00 H new ATOM 0 HE21 GLN A 35 10.544 -0.957 8.398 1.00 0.00 H new ATOM 0 HE22 GLN A 35 10.249 0.779 8.539 1.00 0.00 H new ATOM 524 N GLU A 36 14.437 0.637 9.434 1.00 0.00 N ATOM 525 CA GLU A 36 14.628 1.916 10.128 1.00 0.00 C ATOM 526 C GLU A 36 13.304 2.638 10.416 1.00 0.00 C ATOM 527 O GLU A 36 13.147 3.265 11.471 1.00 0.00 O ATOM 528 CB GLU A 36 15.542 2.820 9.299 1.00 0.00 C ATOM 529 CG GLU A 36 15.811 4.171 9.946 1.00 0.00 C ATOM 530 CD GLU A 36 16.755 5.033 9.131 1.00 0.00 C ATOM 531 OE1 GLU A 36 17.986 4.930 9.329 1.00 0.00 O ATOM 532 OE2 GLU A 36 16.276 5.821 8.293 1.00 0.00 O ATOM 0 H GLU A 36 15.062 0.502 8.639 1.00 0.00 H new ATOM 0 HA GLU A 36 15.088 1.695 11.091 1.00 0.00 H new ATOM 0 HB2 GLU A 36 16.491 2.310 9.134 1.00 0.00 H new ATOM 0 HB3 GLU A 36 15.091 2.979 8.320 1.00 0.00 H new ATOM 0 HG2 GLU A 36 14.867 4.699 10.080 1.00 0.00 H new ATOM 0 HG3 GLU A 36 16.233 4.016 10.939 1.00 0.00 H new ATOM 539 N GLY A 37 12.375 2.580 9.466 1.00 0.00 N ATOM 540 CA GLY A 37 11.059 3.161 9.667 1.00 0.00 C ATOM 541 C GLY A 37 10.226 2.337 10.633 1.00 0.00 C ATOM 542 O GLY A 37 10.562 2.230 11.814 1.00 0.00 O ATOM 0 H GLY A 37 12.511 2.139 8.556 1.00 0.00 H new ATOM 0 HA2 GLY A 37 11.163 4.176 10.050 1.00 0.00 H new ATOM 0 HA3 GLY A 37 10.542 3.233 8.710 1.00 0.00 H new ATOM 546 N GLY A 38 9.133 1.761 10.142 1.00 0.00 N ATOM 547 CA GLY A 38 8.337 0.857 10.955 1.00 0.00 C ATOM 548 C GLY A 38 7.375 1.601 11.860 1.00 0.00 C ATOM 549 O GLY A 38 6.160 1.530 11.674 1.00 0.00 O ATOM 0 H GLY A 38 8.783 1.904 9.195 1.00 0.00 H new ATOM 0 HA2 GLY A 38 7.776 0.185 10.306 1.00 0.00 H new ATOM 0 HA3 GLY A 38 8.998 0.237 11.561 1.00 0.00 H new ATOM 553 N GLY A 39 7.926 2.326 12.829 1.00 0.00 N ATOM 554 CA GLY A 39 7.113 3.069 13.778 1.00 0.00 C ATOM 555 C GLY A 39 6.354 4.212 13.127 1.00 0.00 C ATOM 556 O GLY A 39 6.778 5.367 13.203 1.00 0.00 O ATOM 0 H GLY A 39 8.932 2.413 12.975 1.00 0.00 H new ATOM 0 HA2 GLY A 39 6.404 2.391 14.253 1.00 0.00 H new ATOM 0 HA3 GLY A 39 7.752 3.465 14.567 1.00 0.00 H new ATOM 560 N ILE A 40 5.235 3.879 12.485 1.00 0.00 N ATOM 561 CA ILE A 40 4.372 4.857 11.822 1.00 0.00 C ATOM 562 C ILE A 40 5.103 5.545 10.666 1.00 0.00 C ATOM 563 O ILE A 40 5.652 6.640 10.810 1.00 0.00 O ATOM 564 CB ILE A 40 3.816 5.916 12.820 1.00 0.00 C ATOM 565 CG1 ILE A 40 3.026 5.228 13.950 1.00 0.00 C ATOM 566 CG2 ILE A 40 2.938 6.941 12.098 1.00 0.00 C ATOM 567 CD1 ILE A 40 1.840 4.412 13.468 1.00 0.00 C ATOM 0 H ILE A 40 4.900 2.919 12.410 1.00 0.00 H new ATOM 0 HA ILE A 40 3.523 4.306 11.417 1.00 0.00 H new ATOM 0 HB ILE A 40 4.661 6.445 13.259 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.700 4.576 14.506 1.00 0.00 H new ATOM 0 HG13 ILE A 40 2.672 5.988 14.646 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.562 7.669 12.817 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.527 7.453 11.337 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.098 6.432 11.625 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.337 3.961 14.323 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.143 5.061 12.938 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.187 3.627 12.796 1.00 0.00 H new ATOM 579 N SER A 41 5.127 4.872 9.523 1.00 0.00 N ATOM 580 CA SER A 41 5.747 5.401 8.317 1.00 0.00 C ATOM 581 C SER A 41 4.679 5.975 7.385 1.00 0.00 C ATOM 582 O SER A 41 3.541 5.493 7.355 1.00 0.00 O ATOM 583 CB SER A 41 6.545 4.294 7.616 1.00 0.00 C ATOM 584 OG SER A 41 7.537 3.763 8.484 1.00 0.00 O ATOM 0 H SER A 41 4.717 3.945 9.407 1.00 0.00 H new ATOM 0 HA SER A 41 6.432 6.205 8.586 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.871 3.499 7.297 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.016 4.692 6.717 1.00 0.00 H new ATOM 0 HG SER A 41 8.207 4.452 8.675 1.00 0.00 H new ATOM 590 N ARG A 42 5.045 7.006 6.634 1.00 0.00 N ATOM 591 CA ARG A 42 4.113 7.680 5.738 1.00 0.00 C ATOM 592 C ARG A 42 4.318 7.155 4.315 1.00 0.00 C ATOM 593 O ARG A 42 5.250 7.555 3.619 1.00 0.00 O ATOM 594 CB ARG A 42 4.323 9.205 5.836 1.00 0.00 C ATOM 595 CG ARG A 42 3.231 10.053 5.180 1.00 0.00 C ATOM 596 CD ARG A 42 3.486 10.280 3.697 1.00 0.00 C ATOM 597 NE ARG A 42 4.746 10.985 3.464 1.00 0.00 N ATOM 598 CZ ARG A 42 5.342 11.078 2.276 1.00 0.00 C ATOM 599 NH1 ARG A 42 4.809 10.504 1.210 1.00 0.00 N ATOM 600 NH2 ARG A 42 6.484 11.734 2.155 1.00 0.00 N ATOM 0 H ARG A 42 5.987 7.396 6.628 1.00 0.00 H new ATOM 0 HA ARG A 42 3.082 7.472 6.023 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.392 9.480 6.888 1.00 0.00 H new ATOM 0 HB3 ARG A 42 5.280 9.455 5.378 1.00 0.00 H new ATOM 0 HG2 ARG A 42 2.267 9.562 5.309 1.00 0.00 H new ATOM 0 HG3 ARG A 42 3.169 11.016 5.687 1.00 0.00 H new ATOM 0 HD2 ARG A 42 3.506 9.320 3.181 1.00 0.00 H new ATOM 0 HD3 ARG A 42 2.664 10.855 3.271 1.00 0.00 H new ATOM 0 HE ARG A 42 5.197 11.434 4.261 1.00 0.00 H new ATOM 0 HH11 ARG A 42 3.935 9.985 1.294 1.00 0.00 H new ATOM 0 HH12 ARG A 42 5.272 10.580 0.304 1.00 0.00 H new ATOM 0 HH21 ARG A 42 6.911 12.170 2.972 1.00 0.00 H new ATOM 0 HH22 ARG A 42 6.938 11.804 1.244 1.00 0.00 H new ATOM 614 N VAL A 43 3.449 6.236 3.901 1.00 0.00 N ATOM 615 CA VAL A 43 3.619 5.501 2.643 1.00 0.00 C ATOM 616 C VAL A 43 2.427 5.726 1.714 1.00 0.00 C ATOM 617 O VAL A 43 1.332 6.047 2.172 1.00 0.00 O ATOM 618 CB VAL A 43 3.776 3.979 2.921 1.00 0.00 C ATOM 619 CG1 VAL A 43 4.015 3.188 1.633 1.00 0.00 C ATOM 620 CG2 VAL A 43 4.902 3.734 3.923 1.00 0.00 C ATOM 0 H VAL A 43 2.611 5.978 4.422 1.00 0.00 H new ATOM 0 HA VAL A 43 4.520 5.875 2.157 1.00 0.00 H new ATOM 0 HB VAL A 43 2.840 3.623 3.351 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.119 2.129 1.870 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.170 3.327 0.959 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.926 3.543 1.151 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.999 2.664 4.107 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.838 4.119 3.519 1.00 0.00 H new ATOM 0 HG23 VAL A 43 4.673 4.244 4.859 1.00 0.00 H new ATOM 630 N GLY A 44 2.647 5.570 0.413 1.00 0.00 N ATOM 631 CA GLY A 44 1.568 5.684 -0.549 1.00 0.00 C ATOM 632 C GLY A 44 2.007 5.312 -1.949 1.00 0.00 C ATOM 633 O GLY A 44 3.058 4.693 -2.134 1.00 0.00 O ATOM 0 H GLY A 44 3.560 5.365 0.006 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.743 5.039 -0.245 1.00 0.00 H new ATOM 0 HA3 GLY A 44 1.190 6.706 -0.548 1.00 0.00 H new ATOM 637 N VAL A 45 1.209 5.702 -2.937 1.00 0.00 N ATOM 638 CA VAL A 45 1.474 5.361 -4.329 1.00 0.00 C ATOM 639 C VAL A 45 1.395 6.604 -5.217 1.00 0.00 C ATOM 640 O VAL A 45 0.529 7.465 -5.027 1.00 0.00 O ATOM 641 CB VAL A 45 0.467 4.297 -4.854 1.00 0.00 C ATOM 642 CG1 VAL A 45 0.773 3.920 -6.304 1.00 0.00 C ATOM 643 CG2 VAL A 45 0.468 3.055 -3.961 1.00 0.00 C ATOM 0 H VAL A 45 0.366 6.259 -2.797 1.00 0.00 H new ATOM 0 HA VAL A 45 2.481 4.946 -4.372 1.00 0.00 H new ATOM 0 HB VAL A 45 -0.530 4.737 -4.822 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.054 3.175 -6.646 1.00 0.00 H new ATOM 0 HG12 VAL A 45 0.703 4.807 -6.933 1.00 0.00 H new ATOM 0 HG13 VAL A 45 1.780 3.509 -6.368 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -0.244 2.327 -4.350 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.466 2.616 -3.949 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.183 3.336 -2.947 1.00 0.00 H new ATOM 653 N CYS A 46 2.314 6.692 -6.171 1.00 0.00 N ATOM 654 CA CYS A 46 2.306 7.741 -7.185 1.00 0.00 C ATOM 655 C CYS A 46 2.199 7.093 -8.564 1.00 0.00 C ATOM 656 O CYS A 46 2.917 6.140 -8.857 1.00 0.00 O ATOM 657 CB CYS A 46 3.580 8.590 -7.084 1.00 0.00 C ATOM 658 SG CYS A 46 3.697 9.912 -8.313 1.00 0.00 S ATOM 0 H CYS A 46 3.089 6.035 -6.264 1.00 0.00 H new ATOM 0 HA CYS A 46 1.452 8.399 -7.027 1.00 0.00 H new ATOM 0 HB2 CYS A 46 3.630 9.031 -6.088 1.00 0.00 H new ATOM 0 HB3 CYS A 46 4.446 7.937 -7.187 1.00 0.00 H new ATOM 0 HG CYS A 46 2.742 10.772 -8.117 1.00 0.00 H new ATOM 664 N LYS A 47 1.291 7.589 -9.399 1.00 0.00 N ATOM 665 CA LYS A 47 1.034 6.972 -10.700 1.00 0.00 C ATOM 666 C LYS A 47 2.044 7.453 -11.745 1.00 0.00 C ATOM 667 O LYS A 47 2.124 8.647 -12.043 1.00 0.00 O ATOM 668 CB LYS A 47 -0.399 7.278 -11.158 1.00 0.00 C ATOM 669 CG LYS A 47 -0.850 6.470 -12.373 1.00 0.00 C ATOM 670 CD LYS A 47 -2.322 6.717 -12.697 1.00 0.00 C ATOM 671 CE LYS A 47 -2.785 5.888 -13.887 1.00 0.00 C ATOM 672 NZ LYS A 47 -4.231 6.080 -14.162 1.00 0.00 N ATOM 0 H LYS A 47 0.722 8.412 -9.201 1.00 0.00 H new ATOM 0 HA LYS A 47 1.147 5.893 -10.594 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.083 7.084 -10.332 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -0.475 8.340 -11.392 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.238 6.735 -13.235 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -0.692 5.408 -12.184 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.931 6.475 -11.826 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.475 7.775 -12.909 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.207 6.164 -14.769 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.588 4.833 -13.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -4.494 5.553 -15.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.787 5.730 -13.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -4.426 7.092 -14.304 1.00 0.00 H new ATOM 686 N VAL A 48 2.812 6.513 -12.289 1.00 0.00 N ATOM 687 CA VAL A 48 3.822 6.817 -13.297 1.00 0.00 C ATOM 688 C VAL A 48 3.164 7.003 -14.666 1.00 0.00 C ATOM 689 O VAL A 48 2.419 6.136 -15.131 1.00 0.00 O ATOM 690 CB VAL A 48 4.892 5.696 -13.383 1.00 0.00 C ATOM 691 CG1 VAL A 48 5.980 6.052 -14.398 1.00 0.00 C ATOM 692 CG2 VAL A 48 5.499 5.422 -12.007 1.00 0.00 C ATOM 0 H VAL A 48 2.752 5.524 -12.045 1.00 0.00 H new ATOM 0 HA VAL A 48 4.317 7.742 -13.001 1.00 0.00 H new ATOM 0 HB VAL A 48 4.400 4.786 -13.726 1.00 0.00 H new ATOM 0 HG11 VAL A 48 6.717 5.250 -14.438 1.00 0.00 H new ATOM 0 HG12 VAL A 48 5.531 6.182 -15.383 1.00 0.00 H new ATOM 0 HG13 VAL A 48 6.469 6.979 -14.097 1.00 0.00 H new ATOM 0 HG21 VAL A 48 6.247 4.633 -12.090 1.00 0.00 H new ATOM 0 HG22 VAL A 48 5.970 6.330 -11.630 1.00 0.00 H new ATOM 0 HG23 VAL A 48 4.714 5.107 -11.319 1.00 0.00 H new ATOM 702 N MET A 49 3.442 8.137 -15.298 1.00 0.00 N ATOM 703 CA MET A 49 2.839 8.475 -16.585 1.00 0.00 C ATOM 704 C MET A 49 3.612 7.840 -17.737 1.00 0.00 C ATOM 705 O MET A 49 4.783 8.160 -17.964 1.00 0.00 O ATOM 706 CB MET A 49 2.790 9.997 -16.771 1.00 0.00 C ATOM 707 CG MET A 49 1.949 10.747 -15.734 1.00 0.00 C ATOM 708 SD MET A 49 0.161 10.521 -15.940 1.00 0.00 S ATOM 709 CE MET A 49 -0.113 8.901 -15.215 1.00 0.00 C ATOM 0 H MET A 49 4.085 8.843 -14.939 1.00 0.00 H new ATOM 0 HA MET A 49 1.823 8.081 -16.590 1.00 0.00 H new ATOM 0 HB2 MET A 49 3.808 10.385 -16.741 1.00 0.00 H new ATOM 0 HB3 MET A 49 2.395 10.215 -17.763 1.00 0.00 H new ATOM 0 HG2 MET A 49 2.236 10.413 -14.737 1.00 0.00 H new ATOM 0 HG3 MET A 49 2.181 11.811 -15.792 1.00 0.00 H new ATOM 0 HE1 MET A 49 -0.360 8.188 -16.001 1.00 0.00 H new ATOM 0 HE2 MET A 49 0.791 8.575 -14.700 1.00 0.00 H new ATOM 0 HE3 MET A 49 -0.936 8.956 -14.503 1.00 0.00 H new ATOM 828 N GLY A 58 2.134 2.938 -15.002 1.00 0.00 N ATOM 829 CA GLY A 58 2.852 2.318 -13.901 1.00 0.00 C ATOM 830 C GLY A 58 2.521 2.965 -12.571 1.00 0.00 C ATOM 831 O GLY A 58 1.824 3.982 -12.525 1.00 0.00 O ATOM 0 HA2 GLY A 58 2.606 1.257 -13.859 1.00 0.00 H new ATOM 0 HA3 GLY A 58 3.925 2.389 -14.082 1.00 0.00 H new ATOM 835 N PHE A 59 3.022 2.384 -11.485 1.00 0.00 N ATOM 836 CA PHE A 59 2.763 2.893 -10.140 1.00 0.00 C ATOM 837 C PHE A 59 4.019 2.807 -9.274 1.00 0.00 C ATOM 838 O PHE A 59 4.544 1.723 -9.026 1.00 0.00 O ATOM 839 CB PHE A 59 1.614 2.113 -9.478 1.00 0.00 C ATOM 840 CG PHE A 59 0.269 2.365 -10.114 1.00 0.00 C ATOM 841 CD1 PHE A 59 -0.514 3.435 -9.707 1.00 0.00 C ATOM 842 CD2 PHE A 59 -0.207 1.541 -11.125 1.00 0.00 C ATOM 843 CE1 PHE A 59 -1.739 3.678 -10.292 1.00 0.00 C ATOM 844 CE2 PHE A 59 -1.432 1.782 -11.714 1.00 0.00 C ATOM 845 CZ PHE A 59 -2.199 2.852 -11.296 1.00 0.00 C ATOM 0 H PHE A 59 3.614 1.554 -11.510 1.00 0.00 H new ATOM 0 HA PHE A 59 2.473 3.940 -10.228 1.00 0.00 H new ATOM 0 HB2 PHE A 59 1.835 1.047 -9.525 1.00 0.00 H new ATOM 0 HB3 PHE A 59 1.564 2.382 -8.423 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -0.160 4.086 -8.922 1.00 0.00 H new ATOM 0 HD2 PHE A 59 0.388 0.702 -11.454 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -2.338 4.515 -9.964 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -1.790 1.135 -12.501 1.00 0.00 H new ATOM 0 HZ PHE A 59 -3.158 3.042 -11.755 1.00 0.00 H new ATOM 855 N LEU A 60 4.506 3.960 -8.830 1.00 0.00 N ATOM 856 CA LEU A 60 5.638 4.020 -7.913 1.00 0.00 C ATOM 857 C LEU A 60 5.140 3.925 -6.475 1.00 0.00 C ATOM 858 O LEU A 60 4.591 4.891 -5.937 1.00 0.00 O ATOM 859 CB LEU A 60 6.438 5.328 -8.104 1.00 0.00 C ATOM 860 CG LEU A 60 7.959 5.158 -8.275 1.00 0.00 C ATOM 861 CD1 LEU A 60 8.639 6.515 -8.448 1.00 0.00 C ATOM 862 CD2 LEU A 60 8.564 4.395 -7.094 1.00 0.00 C ATOM 0 H LEU A 60 4.131 4.872 -9.092 1.00 0.00 H new ATOM 0 HA LEU A 60 6.299 3.181 -8.128 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.048 5.847 -8.979 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.257 5.973 -7.244 1.00 0.00 H new ATOM 0 HG LEU A 60 8.132 4.571 -9.177 1.00 0.00 H new ATOM 0 HD11 LEU A 60 9.713 6.371 -8.567 1.00 0.00 H new ATOM 0 HD12 LEU A 60 8.239 7.012 -9.332 1.00 0.00 H new ATOM 0 HD13 LEU A 60 8.451 7.131 -7.569 1.00 0.00 H new ATOM 0 HD21 LEU A 60 9.639 4.290 -7.241 1.00 0.00 H new ATOM 0 HD22 LEU A 60 8.376 4.944 -6.171 1.00 0.00 H new ATOM 0 HD23 LEU A 60 8.108 3.407 -7.027 1.00 0.00 H new ATOM 874 N ILE A 61 5.292 2.753 -5.875 1.00 0.00 N ATOM 875 CA ILE A 61 5.012 2.586 -4.458 1.00 0.00 C ATOM 876 C ILE A 61 6.173 3.176 -3.669 1.00 0.00 C ATOM 877 O ILE A 61 7.303 2.702 -3.780 1.00 0.00 O ATOM 878 CB ILE A 61 4.815 1.096 -4.079 1.00 0.00 C ATOM 879 CG1 ILE A 61 3.705 0.467 -4.938 1.00 0.00 C ATOM 880 CG2 ILE A 61 4.492 0.958 -2.588 1.00 0.00 C ATOM 881 CD1 ILE A 61 3.506 -1.017 -4.699 1.00 0.00 C ATOM 0 H ILE A 61 5.607 1.906 -6.347 1.00 0.00 H new ATOM 0 HA ILE A 61 4.082 3.102 -4.220 1.00 0.00 H new ATOM 0 HB ILE A 61 5.745 0.562 -4.276 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.767 0.986 -4.738 1.00 0.00 H new ATOM 0 HG13 ILE A 61 3.940 0.627 -5.990 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.357 -0.095 -2.341 1.00 0.00 H new ATOM 0 HG22 ILE A 61 5.313 1.367 -1.999 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.576 1.504 -2.362 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.707 -1.385 -5.342 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.429 -1.549 -4.927 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.239 -1.185 -3.656 1.00 0.00 H new ATOM 893 N HIS A 62 5.906 4.219 -2.899 1.00 0.00 N ATOM 894 CA HIS A 62 6.962 4.972 -2.226 1.00 0.00 C ATOM 895 C HIS A 62 6.640 5.077 -0.731 1.00 0.00 C ATOM 896 O HIS A 62 5.474 5.224 -0.354 1.00 0.00 O ATOM 897 CB HIS A 62 7.078 6.363 -2.875 1.00 0.00 C ATOM 898 CG HIS A 62 8.386 7.053 -2.637 1.00 0.00 C ATOM 899 ND1 HIS A 62 8.506 8.323 -2.109 1.00 0.00 N ATOM 900 CD2 HIS A 62 9.649 6.647 -2.920 1.00 0.00 C ATOM 901 CE1 HIS A 62 9.806 8.641 -2.097 1.00 0.00 C ATOM 902 NE2 HIS A 62 10.541 7.656 -2.578 1.00 0.00 N ATOM 0 H HIS A 62 4.964 4.567 -2.722 1.00 0.00 H new ATOM 0 HA HIS A 62 7.920 4.462 -2.330 1.00 0.00 H new ATOM 0 HB2 HIS A 62 6.925 6.262 -3.950 1.00 0.00 H new ATOM 0 HB3 HIS A 62 6.274 6.995 -2.496 1.00 0.00 H new ATOM 0 HD1 HIS A 62 7.740 8.914 -1.786 1.00 0.00 H new ATOM 0 HD2 HIS A 62 9.919 5.691 -3.344 1.00 0.00 H new ATOM 0 HE1 HIS A 62 10.202 9.581 -1.740 1.00 0.00 H new ATOM 910 N GLY A 63 7.664 4.974 0.116 1.00 0.00 N ATOM 911 CA GLY A 63 7.445 4.952 1.555 1.00 0.00 C ATOM 912 C GLY A 63 8.428 5.814 2.326 1.00 0.00 C ATOM 913 O GLY A 63 9.632 5.534 2.351 1.00 0.00 O ATOM 0 H GLY A 63 8.641 4.905 -0.168 1.00 0.00 H new ATOM 0 HA2 GLY A 63 6.431 5.292 1.766 1.00 0.00 H new ATOM 0 HA3 GLY A 63 7.517 3.924 1.911 1.00 0.00 H new ATOM 917 N GLU A 64 7.903 6.858 2.965 1.00 0.00 N ATOM 918 CA GLU A 64 8.700 7.768 3.781 1.00 0.00 C ATOM 919 C GLU A 64 8.944 7.172 5.172 1.00 0.00 C ATOM 920 O GLU A 64 8.069 6.508 5.734 1.00 0.00 O ATOM 921 CB GLU A 64 7.988 9.121 3.889 1.00 0.00 C ATOM 922 CG GLU A 64 8.706 10.150 4.755 1.00 0.00 C ATOM 923 CD GLU A 64 8.023 11.506 4.709 1.00 0.00 C ATOM 924 OE1 GLU A 64 7.042 11.712 5.449 1.00 0.00 O ATOM 925 OE2 GLU A 64 8.445 12.362 3.904 1.00 0.00 O ATOM 0 H GLU A 64 6.912 7.096 2.931 1.00 0.00 H new ATOM 0 HA GLU A 64 9.669 7.916 3.304 1.00 0.00 H new ATOM 0 HB2 GLU A 64 7.864 9.532 2.887 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.989 8.959 4.293 1.00 0.00 H new ATOM 0 HG2 GLU A 64 8.741 9.796 5.785 1.00 0.00 H new ATOM 0 HG3 GLU A 64 9.738 10.252 4.418 1.00 0.00 H new ATOM 932 N ARG A 65 10.136 7.433 5.712 1.00 0.00 N ATOM 933 CA ARG A 65 10.591 6.840 6.972 1.00 0.00 C ATOM 934 C ARG A 65 9.568 7.020 8.100 1.00 0.00 C ATOM 935 O ARG A 65 9.141 6.038 8.711 1.00 0.00 O ATOM 936 CB ARG A 65 11.954 7.447 7.368 1.00 0.00 C ATOM 937 CG ARG A 65 12.733 6.656 8.429 1.00 0.00 C ATOM 938 CD ARG A 65 12.197 6.869 9.840 1.00 0.00 C ATOM 939 NE ARG A 65 12.930 6.081 10.833 1.00 0.00 N ATOM 940 CZ ARG A 65 13.681 6.605 11.802 1.00 0.00 C ATOM 941 NH1 ARG A 65 13.857 7.918 11.876 1.00 0.00 N ATOM 942 NH2 ARG A 65 14.270 5.811 12.687 1.00 0.00 N ATOM 0 H ARG A 65 10.816 8.064 5.287 1.00 0.00 H new ATOM 0 HA ARG A 65 10.702 5.767 6.817 1.00 0.00 H new ATOM 0 HB2 ARG A 65 12.571 7.531 6.473 1.00 0.00 H new ATOM 0 HB3 ARG A 65 11.790 8.459 7.738 1.00 0.00 H new ATOM 0 HG2 ARG A 65 12.691 5.594 8.186 1.00 0.00 H new ATOM 0 HG3 ARG A 65 13.782 6.950 8.396 1.00 0.00 H new ATOM 0 HD2 ARG A 65 12.263 7.926 10.097 1.00 0.00 H new ATOM 0 HD3 ARG A 65 11.141 6.599 9.871 1.00 0.00 H new ATOM 0 HE ARG A 65 12.862 5.065 10.780 1.00 0.00 H new ATOM 0 HH11 ARG A 65 13.417 8.531 11.190 1.00 0.00 H new ATOM 0 HH12 ARG A 65 14.432 8.314 12.619 1.00 0.00 H new ATOM 0 HH21 ARG A 65 14.148 4.800 12.626 1.00 0.00 H new ATOM 0 HH22 ARG A 65 14.845 6.211 13.428 1.00 0.00 H new ATOM 956 N GLN A 66 9.186 8.265 8.377 1.00 0.00 N ATOM 957 CA GLN A 66 8.288 8.563 9.497 1.00 0.00 C ATOM 958 C GLN A 66 7.884 10.038 9.451 1.00 0.00 C ATOM 959 O GLN A 66 6.778 10.380 9.040 1.00 0.00 O ATOM 960 CB GLN A 66 8.993 8.231 10.835 1.00 0.00 C ATOM 961 CG GLN A 66 8.071 8.053 12.045 1.00 0.00 C ATOM 962 CD GLN A 66 7.253 9.288 12.385 1.00 0.00 C ATOM 963 OE1 GLN A 66 7.705 10.159 13.130 1.00 0.00 O ATOM 964 NE2 GLN A 66 6.039 9.357 11.860 1.00 0.00 N ATOM 0 H GLN A 66 9.482 9.083 7.845 1.00 0.00 H new ATOM 0 HA GLN A 66 7.389 7.952 9.419 1.00 0.00 H new ATOM 0 HB2 GLN A 66 9.570 7.316 10.703 1.00 0.00 H new ATOM 0 HB3 GLN A 66 9.704 9.027 11.057 1.00 0.00 H new ATOM 0 HG2 GLN A 66 7.393 7.222 11.853 1.00 0.00 H new ATOM 0 HG3 GLN A 66 8.674 7.779 12.911 1.00 0.00 H new ATOM 0 HE21 GLN A 66 5.705 8.613 11.248 1.00 0.00 H new ATOM 0 HE22 GLN A 66 5.438 10.155 12.068 1.00 0.00 H new ATOM 973 N LYS A 67 8.803 10.897 9.881 1.00 0.00 N ATOM 974 CA LYS A 67 8.605 12.344 9.870 1.00 0.00 C ATOM 975 C LYS A 67 9.630 12.987 8.948 1.00 0.00 C ATOM 976 O LYS A 67 9.310 13.858 8.134 1.00 0.00 O ATOM 977 CB LYS A 67 8.747 12.904 11.295 1.00 0.00 C ATOM 978 CG LYS A 67 8.798 14.430 11.365 1.00 0.00 C ATOM 979 CD LYS A 67 8.974 14.926 12.798 1.00 0.00 C ATOM 980 CE LYS A 67 9.225 16.429 12.852 1.00 0.00 C ATOM 981 NZ LYS A 67 8.120 17.206 12.228 1.00 0.00 N ATOM 0 H LYS A 67 9.710 10.609 10.248 1.00 0.00 H new ATOM 0 HA LYS A 67 7.603 12.571 9.505 1.00 0.00 H new ATOM 0 HB2 LYS A 67 7.910 12.551 11.897 1.00 0.00 H new ATOM 0 HB3 LYS A 67 9.655 12.500 11.744 1.00 0.00 H new ATOM 0 HG2 LYS A 67 9.621 14.795 10.750 1.00 0.00 H new ATOM 0 HG3 LYS A 67 7.880 14.844 10.947 1.00 0.00 H new ATOM 0 HD2 LYS A 67 8.083 14.686 13.378 1.00 0.00 H new ATOM 0 HD3 LYS A 67 9.808 14.402 13.264 1.00 0.00 H new ATOM 0 HE2 LYS A 67 9.343 16.739 13.890 1.00 0.00 H new ATOM 0 HE3 LYS A 67 10.161 16.658 12.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 8.265 18.220 12.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 8.110 17.033 11.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 7.212 16.909 12.639 1.00 0.00 H new ATOM 995 N ASP A 68 10.876 12.555 9.101 1.00 0.00 N ATOM 996 CA ASP A 68 11.957 12.970 8.220 1.00 0.00 C ATOM 997 C ASP A 68 11.760 12.372 6.831 1.00 0.00 C ATOM 998 O ASP A 68 11.488 11.175 6.694 1.00 0.00 O ATOM 999 CB ASP A 68 13.310 12.538 8.803 1.00 0.00 C ATOM 1000 CG ASP A 68 14.453 12.642 7.803 1.00 0.00 C ATOM 1001 OD1 ASP A 68 14.744 13.765 7.335 1.00 0.00 O ATOM 1002 OD2 ASP A 68 15.077 11.602 7.495 1.00 0.00 O ATOM 0 H ASP A 68 11.163 11.910 9.837 1.00 0.00 H new ATOM 0 HA ASP A 68 11.947 14.057 8.136 1.00 0.00 H new ATOM 0 HB2 ASP A 68 13.538 13.156 9.672 1.00 0.00 H new ATOM 0 HB3 ASP A 68 13.235 11.509 9.154 1.00 0.00 H new ATOM 1007 N LYS A 69 11.886 13.210 5.810 1.00 0.00 N ATOM 1008 CA LYS A 69 11.672 12.782 4.437 1.00 0.00 C ATOM 1009 C LYS A 69 12.846 11.937 3.952 1.00 0.00 C ATOM 1010 O LYS A 69 13.883 12.470 3.548 1.00 0.00 O ATOM 1011 CB LYS A 69 11.458 13.997 3.523 1.00 0.00 C ATOM 1012 CG LYS A 69 10.323 14.911 3.983 1.00 0.00 C ATOM 1013 CD LYS A 69 9.920 15.919 2.910 1.00 0.00 C ATOM 1014 CE LYS A 69 9.421 15.227 1.644 1.00 0.00 C ATOM 1015 NZ LYS A 69 8.296 14.292 1.920 1.00 0.00 N ATOM 0 H LYS A 69 12.136 14.194 5.910 1.00 0.00 H new ATOM 0 HA LYS A 69 10.773 12.167 4.401 1.00 0.00 H new ATOM 0 HB2 LYS A 69 12.382 14.573 3.475 1.00 0.00 H new ATOM 0 HB3 LYS A 69 11.247 13.649 2.512 1.00 0.00 H new ATOM 0 HG2 LYS A 69 9.458 14.305 4.252 1.00 0.00 H new ATOM 0 HG3 LYS A 69 10.631 15.444 4.882 1.00 0.00 H new ATOM 0 HD2 LYS A 69 9.139 16.572 3.299 1.00 0.00 H new ATOM 0 HD3 LYS A 69 10.773 16.552 2.666 1.00 0.00 H new ATOM 0 HE2 LYS A 69 9.098 15.979 0.924 1.00 0.00 H new ATOM 0 HE3 LYS A 69 10.243 14.678 1.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 7.934 13.910 1.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 8.633 13.511 2.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 7.534 14.801 2.412 1.00 0.00 H new ATOM 1029 N LEU A 70 12.685 10.620 4.025 1.00 0.00 N ATOM 1030 CA LEU A 70 13.719 9.683 3.605 1.00 0.00 C ATOM 1031 C LEU A 70 13.077 8.427 3.020 1.00 0.00 C ATOM 1032 O LEU A 70 12.114 7.896 3.581 1.00 0.00 O ATOM 1033 CB LEU A 70 14.623 9.320 4.794 1.00 0.00 C ATOM 1034 CG LEU A 70 15.811 8.398 4.467 1.00 0.00 C ATOM 1035 CD1 LEU A 70 16.737 9.046 3.438 1.00 0.00 C ATOM 1036 CD2 LEU A 70 16.579 8.045 5.739 1.00 0.00 C ATOM 0 H LEU A 70 11.837 10.174 4.376 1.00 0.00 H new ATOM 0 HA LEU A 70 14.332 10.154 2.837 1.00 0.00 H new ATOM 0 HB2 LEU A 70 15.010 10.242 5.228 1.00 0.00 H new ATOM 0 HB3 LEU A 70 14.012 8.839 5.558 1.00 0.00 H new ATOM 0 HG LEU A 70 15.420 7.477 4.034 1.00 0.00 H new ATOM 0 HD11 LEU A 70 17.569 8.375 3.224 1.00 0.00 H new ATOM 0 HD12 LEU A 70 16.182 9.241 2.520 1.00 0.00 H new ATOM 0 HD13 LEU A 70 17.122 9.985 3.835 1.00 0.00 H new ATOM 0 HD21 LEU A 70 17.416 7.392 5.490 1.00 0.00 H new ATOM 0 HD22 LEU A 70 16.956 8.957 6.202 1.00 0.00 H new ATOM 0 HD23 LEU A 70 15.915 7.533 6.435 1.00 0.00 H new ATOM 1048 N VAL A 71 13.612 7.965 1.893 1.00 0.00 N ATOM 1049 CA VAL A 71 13.064 6.815 1.178 1.00 0.00 C ATOM 1050 C VAL A 71 13.539 5.504 1.806 1.00 0.00 C ATOM 1051 O VAL A 71 14.633 5.018 1.507 1.00 0.00 O ATOM 1052 CB VAL A 71 13.471 6.843 -0.317 1.00 0.00 C ATOM 1053 CG1 VAL A 71 12.769 5.731 -1.097 1.00 0.00 C ATOM 1054 CG2 VAL A 71 13.181 8.214 -0.927 1.00 0.00 C ATOM 0 H VAL A 71 14.435 8.375 1.451 1.00 0.00 H new ATOM 0 HA VAL A 71 11.978 6.875 1.252 1.00 0.00 H new ATOM 0 HB VAL A 71 14.544 6.664 -0.382 1.00 0.00 H new ATOM 0 HG11 VAL A 71 13.072 5.773 -2.143 1.00 0.00 H new ATOM 0 HG12 VAL A 71 13.044 4.763 -0.678 1.00 0.00 H new ATOM 0 HG13 VAL A 71 11.689 5.863 -1.027 1.00 0.00 H new ATOM 0 HG21 VAL A 71 13.473 8.214 -1.977 1.00 0.00 H new ATOM 0 HG22 VAL A 71 12.116 8.430 -0.847 1.00 0.00 H new ATOM 0 HG23 VAL A 71 13.747 8.977 -0.393 1.00 0.00 H new ATOM 1064 N VAL A 72 12.725 4.945 2.693 1.00 0.00 N ATOM 1065 CA VAL A 72 13.059 3.684 3.353 1.00 0.00 C ATOM 1066 C VAL A 72 12.469 2.495 2.596 1.00 0.00 C ATOM 1067 O VAL A 72 13.102 1.444 2.493 1.00 0.00 O ATOM 1068 CB VAL A 72 12.588 3.658 4.826 1.00 0.00 C ATOM 1069 CG1 VAL A 72 13.424 4.617 5.668 1.00 0.00 C ATOM 1070 CG2 VAL A 72 11.100 3.995 4.932 1.00 0.00 C ATOM 0 H VAL A 72 11.829 5.343 2.973 1.00 0.00 H new ATOM 0 HA VAL A 72 14.146 3.604 3.347 1.00 0.00 H new ATOM 0 HB VAL A 72 12.728 2.648 5.212 1.00 0.00 H new ATOM 0 HG11 VAL A 72 13.080 4.587 6.702 1.00 0.00 H new ATOM 0 HG12 VAL A 72 14.472 4.320 5.625 1.00 0.00 H new ATOM 0 HG13 VAL A 72 13.318 5.630 5.279 1.00 0.00 H new ATOM 0 HG21 VAL A 72 10.795 3.970 5.978 1.00 0.00 H new ATOM 0 HG22 VAL A 72 10.923 4.991 4.526 1.00 0.00 H new ATOM 0 HG23 VAL A 72 10.520 3.265 4.367 1.00 0.00 H new ATOM 1080 N LEU A 73 11.260 2.670 2.065 1.00 0.00 N ATOM 1081 CA LEU A 73 10.613 1.644 1.246 1.00 0.00 C ATOM 1082 C LEU A 73 10.220 2.232 -0.103 1.00 0.00 C ATOM 1083 O LEU A 73 9.824 3.395 -0.186 1.00 0.00 O ATOM 1084 CB LEU A 73 9.353 1.068 1.932 1.00 0.00 C ATOM 1085 CG LEU A 73 9.589 0.013 3.033 1.00 0.00 C ATOM 1086 CD1 LEU A 73 10.489 -1.116 2.533 1.00 0.00 C ATOM 1087 CD2 LEU A 73 10.160 0.644 4.296 1.00 0.00 C ATOM 0 H LEU A 73 10.705 3.517 2.188 1.00 0.00 H new ATOM 0 HA LEU A 73 11.329 0.833 1.112 1.00 0.00 H new ATOM 0 HB2 LEU A 73 8.793 1.896 2.367 1.00 0.00 H new ATOM 0 HB3 LEU A 73 8.720 0.624 1.164 1.00 0.00 H new ATOM 0 HG LEU A 73 8.620 -0.416 3.286 1.00 0.00 H new ATOM 0 HD11 LEU A 73 10.637 -1.844 3.331 1.00 0.00 H new ATOM 0 HD12 LEU A 73 10.020 -1.604 1.679 1.00 0.00 H new ATOM 0 HD13 LEU A 73 11.453 -0.706 2.232 1.00 0.00 H new ATOM 0 HD21 LEU A 73 10.314 -0.127 5.051 1.00 0.00 H new ATOM 0 HD22 LEU A 73 11.112 1.121 4.066 1.00 0.00 H new ATOM 0 HD23 LEU A 73 9.463 1.390 4.677 1.00 0.00 H new ATOM 1099 N GLU A 74 10.347 1.430 -1.151 1.00 0.00 N ATOM 1100 CA GLU A 74 9.872 1.811 -2.472 1.00 0.00 C ATOM 1101 C GLU A 74 9.684 0.575 -3.343 1.00 0.00 C ATOM 1102 O GLU A 74 10.156 -0.515 -3.006 1.00 0.00 O ATOM 1103 CB GLU A 74 10.811 2.840 -3.135 1.00 0.00 C ATOM 1104 CG GLU A 74 12.283 2.431 -3.222 1.00 0.00 C ATOM 1105 CD GLU A 74 12.576 1.430 -4.334 1.00 0.00 C ATOM 1106 OE1 GLU A 74 12.545 1.823 -5.521 1.00 0.00 O ATOM 1107 OE2 GLU A 74 12.838 0.245 -4.030 1.00 0.00 O ATOM 0 H GLU A 74 10.778 0.506 -1.110 1.00 0.00 H new ATOM 0 HA GLU A 74 8.902 2.296 -2.361 1.00 0.00 H new ATOM 0 HB2 GLU A 74 10.448 3.040 -4.143 1.00 0.00 H new ATOM 0 HB3 GLU A 74 10.745 3.776 -2.581 1.00 0.00 H new ATOM 0 HG2 GLU A 74 12.890 3.323 -3.379 1.00 0.00 H new ATOM 0 HG3 GLU A 74 12.588 2.001 -2.268 1.00 0.00 H new ATOM 1114 N CYS A 75 8.975 0.752 -4.447 1.00 0.00 N ATOM 1115 CA CYS A 75 8.654 -0.336 -5.352 1.00 0.00 C ATOM 1116 C CYS A 75 8.173 0.230 -6.685 1.00 0.00 C ATOM 1117 O CYS A 75 7.044 0.716 -6.798 1.00 0.00 O ATOM 1118 CB CYS A 75 7.583 -1.240 -4.727 1.00 0.00 C ATOM 1119 SG CYS A 75 6.946 -2.521 -5.825 1.00 0.00 S ATOM 0 H CYS A 75 8.606 1.657 -4.740 1.00 0.00 H new ATOM 0 HA CYS A 75 9.547 -0.935 -5.529 1.00 0.00 H new ATOM 0 HB2 CYS A 75 8.001 -1.716 -3.840 1.00 0.00 H new ATOM 0 HB3 CYS A 75 6.751 -0.619 -4.394 1.00 0.00 H new ATOM 0 HG CYS A 75 6.322 -3.421 -5.125 1.00 0.00 H new ATOM 1125 N TYR A 76 9.049 0.197 -7.682 1.00 0.00 N ATOM 1126 CA TYR A 76 8.733 0.719 -9.003 1.00 0.00 C ATOM 1127 C TYR A 76 7.948 -0.319 -9.801 1.00 0.00 C ATOM 1128 O TYR A 76 8.522 -1.263 -10.346 1.00 0.00 O ATOM 1129 CB TYR A 76 10.023 1.107 -9.738 1.00 0.00 C ATOM 1130 CG TYR A 76 9.796 1.854 -11.040 1.00 0.00 C ATOM 1131 CD1 TYR A 76 9.306 3.156 -11.034 1.00 0.00 C ATOM 1132 CD2 TYR A 76 10.081 1.268 -12.270 1.00 0.00 C ATOM 1133 CE1 TYR A 76 9.108 3.850 -12.211 1.00 0.00 C ATOM 1134 CE2 TYR A 76 9.881 1.958 -13.451 1.00 0.00 C ATOM 1135 CZ TYR A 76 9.396 3.248 -13.415 1.00 0.00 C ATOM 1136 OH TYR A 76 9.205 3.944 -14.587 1.00 0.00 O ATOM 0 H TYR A 76 9.989 -0.189 -7.598 1.00 0.00 H new ATOM 0 HA TYR A 76 8.116 1.611 -8.896 1.00 0.00 H new ATOM 0 HB2 TYR A 76 10.632 1.726 -9.079 1.00 0.00 H new ATOM 0 HB3 TYR A 76 10.596 0.203 -9.946 1.00 0.00 H new ATOM 0 HD1 TYR A 76 9.076 3.632 -10.092 1.00 0.00 H new ATOM 0 HD2 TYR A 76 10.464 0.259 -12.302 1.00 0.00 H new ATOM 0 HE1 TYR A 76 8.729 4.861 -12.187 1.00 0.00 H new ATOM 0 HE2 TYR A 76 10.104 1.489 -14.398 1.00 0.00 H new ATOM 0 HH TYR A 76 10.071 4.242 -14.935 1.00 0.00 H new ATOM 1146 N VAL A 77 6.631 -0.149 -9.850 1.00 0.00 N ATOM 1147 CA VAL A 77 5.766 -1.066 -10.572 1.00 0.00 C ATOM 1148 C VAL A 77 5.603 -0.574 -11.998 1.00 0.00 C ATOM 1149 O VAL A 77 4.818 0.339 -12.262 1.00 0.00 O ATOM 1150 CB VAL A 77 4.374 -1.195 -9.900 1.00 0.00 C ATOM 1151 CG1 VAL A 77 3.443 -2.084 -10.724 1.00 0.00 C ATOM 1152 CG2 VAL A 77 4.514 -1.728 -8.475 1.00 0.00 C ATOM 0 H VAL A 77 6.140 0.621 -9.395 1.00 0.00 H new ATOM 0 HA VAL A 77 6.229 -2.053 -10.561 1.00 0.00 H new ATOM 0 HB VAL A 77 3.928 -0.201 -9.853 1.00 0.00 H new ATOM 0 HG11 VAL A 77 2.475 -2.156 -10.228 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.311 -1.652 -11.716 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.878 -3.079 -10.816 1.00 0.00 H new ATOM 0 HG21 VAL A 77 3.527 -1.812 -8.019 1.00 0.00 H new ATOM 0 HG22 VAL A 77 4.987 -2.710 -8.499 1.00 0.00 H new ATOM 0 HG23 VAL A 77 5.127 -1.043 -7.889 1.00 0.00 H new ATOM 1162 N ARG A 78 6.378 -1.145 -12.906 1.00 0.00 N ATOM 1163 CA ARG A 78 6.328 -0.737 -14.298 1.00 0.00 C ATOM 1164 C ARG A 78 5.065 -1.303 -14.947 1.00 0.00 C ATOM 1165 O ARG A 78 4.377 -0.613 -15.699 1.00 0.00 O ATOM 1166 CB ARG A 78 7.586 -1.214 -15.041 1.00 0.00 C ATOM 1167 CG ARG A 78 7.732 -0.649 -16.452 1.00 0.00 C ATOM 1168 CD ARG A 78 7.937 0.864 -16.450 1.00 0.00 C ATOM 1169 NE ARG A 78 8.159 1.389 -17.802 1.00 0.00 N ATOM 1170 CZ ARG A 78 8.772 2.545 -18.075 1.00 0.00 C ATOM 1171 NH1 ARG A 78 9.202 3.330 -17.092 1.00 0.00 N ATOM 1172 NH2 ARG A 78 8.947 2.922 -19.336 1.00 0.00 N ATOM 0 H ARG A 78 7.046 -1.889 -12.704 1.00 0.00 H new ATOM 0 HA ARG A 78 6.298 0.351 -14.356 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.465 -0.938 -14.458 1.00 0.00 H new ATOM 0 HB3 ARG A 78 7.570 -2.302 -15.097 1.00 0.00 H new ATOM 0 HG2 ARG A 78 8.577 -1.128 -16.947 1.00 0.00 H new ATOM 0 HG3 ARG A 78 6.842 -0.892 -17.033 1.00 0.00 H new ATOM 0 HD2 ARG A 78 7.064 1.348 -16.012 1.00 0.00 H new ATOM 0 HD3 ARG A 78 8.790 1.114 -15.819 1.00 0.00 H new ATOM 0 HE ARG A 78 7.822 0.833 -18.588 1.00 0.00 H new ATOM 0 HH11 ARG A 78 9.065 3.052 -16.120 1.00 0.00 H new ATOM 0 HH12 ARG A 78 9.669 4.210 -17.310 1.00 0.00 H new ATOM 0 HH21 ARG A 78 8.614 2.329 -20.096 1.00 0.00 H new ATOM 0 HH22 ARG A 78 9.415 3.804 -19.544 1.00 0.00 H new ATOM 1186 N LYS A 79 4.777 -2.571 -14.637 1.00 0.00 N ATOM 1187 CA LYS A 79 3.543 -3.226 -15.076 1.00 0.00 C ATOM 1188 C LYS A 79 3.423 -4.617 -14.435 1.00 0.00 C ATOM 1189 O LYS A 79 2.834 -5.532 -15.011 1.00 0.00 O ATOM 1190 CB LYS A 79 3.497 -3.338 -16.613 1.00 0.00 C ATOM 1191 CG LYS A 79 2.107 -3.676 -17.162 1.00 0.00 C ATOM 1192 CD LYS A 79 2.110 -3.835 -18.680 1.00 0.00 C ATOM 1193 CE LYS A 79 2.936 -5.035 -19.126 1.00 0.00 C ATOM 1194 NZ LYS A 79 2.397 -6.312 -18.589 1.00 0.00 N ATOM 0 H LYS A 79 5.388 -3.167 -14.079 1.00 0.00 H new ATOM 0 HA LYS A 79 2.699 -2.616 -14.754 1.00 0.00 H new ATOM 0 HB2 LYS A 79 3.831 -2.396 -17.048 1.00 0.00 H new ATOM 0 HB3 LYS A 79 4.202 -4.105 -16.934 1.00 0.00 H new ATOM 0 HG2 LYS A 79 1.751 -4.598 -16.702 1.00 0.00 H new ATOM 0 HG3 LYS A 79 1.406 -2.889 -16.882 1.00 0.00 H new ATOM 0 HD2 LYS A 79 1.086 -3.948 -19.035 1.00 0.00 H new ATOM 0 HD3 LYS A 79 2.508 -2.930 -19.139 1.00 0.00 H new ATOM 0 HE2 LYS A 79 2.954 -5.078 -20.215 1.00 0.00 H new ATOM 0 HE3 LYS A 79 3.967 -4.909 -18.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 2.842 -7.112 -19.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 2.603 -6.375 -17.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 1.368 -6.344 -18.736 1.00 0.00 H new ATOM 1208 N ASP A 80 3.986 -4.776 -13.238 1.00 0.00 N ATOM 1209 CA ASP A 80 3.909 -6.044 -12.504 1.00 0.00 C ATOM 1210 C ASP A 80 3.791 -5.770 -11.008 1.00 0.00 C ATOM 1211 O ASP A 80 4.576 -5.001 -10.453 1.00 0.00 O ATOM 1212 CB ASP A 80 5.139 -6.919 -12.786 1.00 0.00 C ATOM 1213 CG ASP A 80 5.010 -8.312 -12.184 1.00 0.00 C ATOM 1214 OD1 ASP A 80 4.365 -9.177 -12.818 1.00 0.00 O ATOM 1215 OD2 ASP A 80 5.544 -8.553 -11.085 1.00 0.00 O ATOM 0 H ASP A 80 4.502 -4.042 -12.753 1.00 0.00 H new ATOM 0 HA ASP A 80 3.025 -6.584 -12.842 1.00 0.00 H new ATOM 0 HB2 ASP A 80 5.282 -7.003 -13.863 1.00 0.00 H new ATOM 0 HB3 ASP A 80 6.028 -6.433 -12.383 1.00 0.00 H new ATOM 1220 N LEU A 81 2.811 -6.399 -10.366 1.00 0.00 N ATOM 1221 CA LEU A 81 2.498 -6.120 -8.967 1.00 0.00 C ATOM 1222 C LEU A 81 1.794 -7.324 -8.337 1.00 0.00 C ATOM 1223 O LEU A 81 0.805 -7.826 -8.878 1.00 0.00 O ATOM 1224 CB LEU A 81 1.625 -4.849 -8.895 1.00 0.00 C ATOM 1225 CG LEU A 81 1.196 -4.368 -7.492 1.00 0.00 C ATOM 1226 CD1 LEU A 81 0.839 -2.882 -7.522 1.00 0.00 C ATOM 1227 CD2 LEU A 81 0.007 -5.177 -6.975 1.00 0.00 C ATOM 0 H LEU A 81 2.217 -7.109 -10.794 1.00 0.00 H new ATOM 0 HA LEU A 81 3.414 -5.946 -8.403 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.169 -4.038 -9.379 1.00 0.00 H new ATOM 0 HB3 LEU A 81 0.724 -5.024 -9.483 1.00 0.00 H new ATOM 0 HG LEU A 81 2.037 -4.518 -6.815 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.539 -2.560 -6.525 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.706 -2.306 -7.844 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.017 -2.719 -8.219 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.275 -4.818 -5.985 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.836 -5.061 -7.657 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.282 -6.230 -6.914 1.00 0.00 H new ATOM 1239 N VAL A 82 2.304 -7.781 -7.191 1.00 0.00 N ATOM 1240 CA VAL A 82 1.736 -8.937 -6.492 1.00 0.00 C ATOM 1241 C VAL A 82 1.555 -8.649 -4.999 1.00 0.00 C ATOM 1242 O VAL A 82 2.521 -8.681 -4.241 1.00 0.00 O ATOM 1243 CB VAL A 82 2.630 -10.201 -6.652 1.00 0.00 C ATOM 1244 CG1 VAL A 82 2.004 -11.405 -5.945 1.00 0.00 C ATOM 1245 CG2 VAL A 82 2.886 -10.514 -8.127 1.00 0.00 C ATOM 0 H VAL A 82 3.112 -7.367 -6.726 1.00 0.00 H new ATOM 0 HA VAL A 82 0.764 -9.127 -6.947 1.00 0.00 H new ATOM 0 HB VAL A 82 3.590 -9.990 -6.182 1.00 0.00 H new ATOM 0 HG11 VAL A 82 2.647 -12.276 -6.071 1.00 0.00 H new ATOM 0 HG12 VAL A 82 1.893 -11.186 -4.883 1.00 0.00 H new ATOM 0 HG13 VAL A 82 1.025 -11.612 -6.377 1.00 0.00 H new ATOM 0 HG21 VAL A 82 3.513 -11.402 -8.207 1.00 0.00 H new ATOM 0 HG22 VAL A 82 1.936 -10.694 -8.631 1.00 0.00 H new ATOM 0 HG23 VAL A 82 3.391 -9.670 -8.596 1.00 0.00 H new ATOM 1255 N TYR A 83 0.323 -8.346 -4.583 1.00 0.00 N ATOM 1256 CA TYR A 83 0.000 -8.210 -3.156 1.00 0.00 C ATOM 1257 C TYR A 83 -0.588 -9.513 -2.616 1.00 0.00 C ATOM 1258 O TYR A 83 -1.126 -10.330 -3.371 1.00 0.00 O ATOM 1259 CB TYR A 83 -0.991 -7.060 -2.891 1.00 0.00 C ATOM 1260 CG TYR A 83 -0.362 -5.678 -2.765 1.00 0.00 C ATOM 1261 CD1 TYR A 83 0.383 -5.126 -3.797 1.00 0.00 C ATOM 1262 CD2 TYR A 83 -0.533 -4.920 -1.612 1.00 0.00 C ATOM 1263 CE1 TYR A 83 0.940 -3.862 -3.684 1.00 0.00 C ATOM 1264 CE2 TYR A 83 0.021 -3.660 -1.490 1.00 0.00 C ATOM 1265 CZ TYR A 83 0.756 -3.135 -2.529 1.00 0.00 C ATOM 1266 OH TYR A 83 1.308 -1.881 -2.410 1.00 0.00 O ATOM 0 H TYR A 83 -0.467 -8.190 -5.210 1.00 0.00 H new ATOM 0 HA TYR A 83 0.933 -7.980 -2.641 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -1.721 -7.037 -3.700 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -1.538 -7.278 -1.974 1.00 0.00 H new ATOM 0 HD1 TYR A 83 0.532 -5.692 -4.705 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -1.111 -5.325 -0.794 1.00 0.00 H new ATOM 0 HE1 TYR A 83 1.516 -3.449 -4.499 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -0.122 -3.090 -0.584 1.00 0.00 H new ATOM 0 HH TYR A 83 1.082 -1.506 -1.533 1.00 0.00 H new ATOM 1276 N THR A 84 -0.469 -9.686 -1.307 1.00 0.00 N ATOM 1277 CA THR A 84 -1.031 -10.819 -0.584 1.00 0.00 C ATOM 1278 C THR A 84 -1.186 -10.419 0.883 1.00 0.00 C ATOM 1279 O THR A 84 -0.287 -9.792 1.448 1.00 0.00 O ATOM 1280 CB THR A 84 -0.122 -12.073 -0.680 1.00 0.00 C ATOM 1281 OG1 THR A 84 0.068 -12.446 -2.056 1.00 0.00 O ATOM 1282 CG2 THR A 84 -0.715 -13.252 0.091 1.00 0.00 C ATOM 0 H THR A 84 0.030 -9.030 -0.706 1.00 0.00 H new ATOM 0 HA THR A 84 -1.993 -11.075 -1.028 1.00 0.00 H new ATOM 0 HB THR A 84 0.840 -11.819 -0.234 1.00 0.00 H new ATOM 0 HG1 THR A 84 0.644 -13.237 -2.104 1.00 0.00 H new ATOM 0 HG21 THR A 84 -0.054 -14.114 0.003 1.00 0.00 H new ATOM 0 HG22 THR A 84 -0.822 -12.983 1.142 1.00 0.00 H new ATOM 0 HG23 THR A 84 -1.693 -13.502 -0.321 1.00 0.00 H new ATOM 1290 N LYS A 85 -2.318 -10.744 1.497 1.00 0.00 N ATOM 1291 CA LYS A 85 -2.539 -10.380 2.891 1.00 0.00 C ATOM 1292 C LYS A 85 -2.975 -11.583 3.717 1.00 0.00 C ATOM 1293 O LYS A 85 -3.728 -12.441 3.249 1.00 0.00 O ATOM 1294 CB LYS A 85 -3.561 -9.243 3.004 1.00 0.00 C ATOM 1295 CG LYS A 85 -4.992 -9.607 2.617 1.00 0.00 C ATOM 1296 CD LYS A 85 -5.911 -8.385 2.691 1.00 0.00 C ATOM 1297 CE LYS A 85 -5.803 -7.673 4.039 1.00 0.00 C ATOM 1298 NZ LYS A 85 -6.642 -6.446 4.109 1.00 0.00 N ATOM 0 H LYS A 85 -3.087 -11.252 1.059 1.00 0.00 H new ATOM 0 HA LYS A 85 -1.590 -10.027 3.294 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -3.562 -8.879 4.031 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -3.231 -8.417 2.374 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -5.006 -10.016 1.607 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -5.364 -10.387 3.281 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -5.656 -7.690 1.891 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -6.943 -8.696 2.526 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -6.102 -8.358 4.832 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -4.762 -7.407 4.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -6.394 -5.904 4.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -6.473 -5.861 3.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -7.646 -6.714 4.149 1.00 0.00 H new ATOM 1312 N ALA A 86 -2.470 -11.642 4.944 1.00 0.00 N ATOM 1313 CA ALA A 86 -2.823 -12.697 5.886 1.00 0.00 C ATOM 1314 C ALA A 86 -3.859 -12.175 6.872 1.00 0.00 C ATOM 1315 O ALA A 86 -4.802 -12.876 7.242 1.00 0.00 O ATOM 1316 CB ALA A 86 -1.576 -13.184 6.619 1.00 0.00 C ATOM 0 H ALA A 86 -1.806 -10.961 5.313 1.00 0.00 H new ATOM 0 HA ALA A 86 -3.250 -13.540 5.343 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -1.851 -13.972 7.320 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -0.859 -13.575 5.897 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -1.127 -12.354 7.164 1.00 0.00 H new ATOM 1322 N ASN A 87 -3.676 -10.924 7.283 1.00 0.00 N ATOM 1323 CA ASN A 87 -4.596 -10.254 8.199 1.00 0.00 C ATOM 1324 C ASN A 87 -5.036 -8.933 7.579 1.00 0.00 C ATOM 1325 O ASN A 87 -4.286 -8.349 6.797 1.00 0.00 O ATOM 1326 CB ASN A 87 -3.928 -9.989 9.566 1.00 0.00 C ATOM 1327 CG ASN A 87 -3.668 -11.255 10.373 1.00 0.00 C ATOM 1328 OD1 ASN A 87 -3.423 -12.332 9.823 1.00 0.00 O ATOM 1329 ND2 ASN A 87 -3.728 -11.136 11.693 1.00 0.00 N ATOM 0 H ASN A 87 -2.888 -10.346 6.992 1.00 0.00 H new ATOM 0 HA ASN A 87 -5.458 -10.900 8.365 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -2.983 -9.470 9.405 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -4.563 -9.321 10.148 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -3.569 -11.950 12.286 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -3.933 -10.230 12.115 1.00 0.00 H new ATOM 1336 N PRO A 88 -6.251 -8.446 7.905 1.00 0.00 N ATOM 1337 CA PRO A 88 -6.750 -7.162 7.394 1.00 0.00 C ATOM 1338 C PRO A 88 -5.703 -6.055 7.496 1.00 0.00 C ATOM 1339 O PRO A 88 -5.596 -5.207 6.608 1.00 0.00 O ATOM 1340 CB PRO A 88 -7.950 -6.871 8.297 1.00 0.00 C ATOM 1341 CG PRO A 88 -8.459 -8.221 8.671 1.00 0.00 C ATOM 1342 CD PRO A 88 -7.241 -9.105 8.782 1.00 0.00 C ATOM 0 HA PRO A 88 -7.004 -7.205 6.335 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -7.657 -6.298 9.177 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -8.710 -6.289 7.775 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -9.004 -8.186 9.615 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -9.150 -8.600 7.918 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -6.885 -9.170 9.810 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -7.453 -10.122 8.453 1.00 0.00 H new ATOM 1350 N THR A 89 -4.930 -6.094 8.577 1.00 0.00 N ATOM 1351 CA THR A 89 -3.855 -5.140 8.812 1.00 0.00 C ATOM 1352 C THR A 89 -2.565 -5.558 8.092 1.00 0.00 C ATOM 1353 O THR A 89 -1.875 -4.724 7.511 1.00 0.00 O ATOM 1354 CB THR A 89 -3.579 -5.013 10.323 1.00 0.00 C ATOM 1355 OG1 THR A 89 -3.488 -6.325 10.898 1.00 0.00 O ATOM 1356 CG2 THR A 89 -4.681 -4.219 11.022 1.00 0.00 C ATOM 0 H THR A 89 -5.033 -6.790 9.315 1.00 0.00 H new ATOM 0 HA THR A 89 -4.175 -4.177 8.413 1.00 0.00 H new ATOM 0 HB THR A 89 -2.639 -4.478 10.460 1.00 0.00 H new ATOM 0 HG1 THR A 89 -3.311 -6.249 11.859 1.00 0.00 H new ATOM 0 HG21 THR A 89 -4.458 -4.147 12.086 1.00 0.00 H new ATOM 0 HG22 THR A 89 -4.736 -3.218 10.594 1.00 0.00 H new ATOM 0 HG23 THR A 89 -5.637 -4.725 10.885 1.00 0.00 H new ATOM 1364 N PHE A 90 -2.246 -6.851 8.138 1.00 0.00 N ATOM 1365 CA PHE A 90 -1.014 -7.361 7.533 1.00 0.00 C ATOM 1366 C PHE A 90 -1.233 -7.656 6.046 1.00 0.00 C ATOM 1367 O PHE A 90 -1.679 -8.748 5.673 1.00 0.00 O ATOM 1368 CB PHE A 90 -0.524 -8.622 8.274 1.00 0.00 C ATOM 1369 CG PHE A 90 0.756 -9.223 7.723 1.00 0.00 C ATOM 1370 CD1 PHE A 90 2.006 -8.811 8.183 1.00 0.00 C ATOM 1371 CD2 PHE A 90 0.709 -10.209 6.743 1.00 0.00 C ATOM 1372 CE1 PHE A 90 3.166 -9.367 7.675 1.00 0.00 C ATOM 1373 CE2 PHE A 90 1.868 -10.763 6.236 1.00 0.00 C ATOM 1374 CZ PHE A 90 3.096 -10.342 6.702 1.00 0.00 C ATOM 0 H PHE A 90 -2.821 -7.564 8.587 1.00 0.00 H new ATOM 0 HA PHE A 90 -0.243 -6.596 7.622 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -0.370 -8.373 9.324 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -1.309 -9.377 8.237 1.00 0.00 H new ATOM 0 HD1 PHE A 90 2.069 -8.048 8.945 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -0.248 -10.546 6.373 1.00 0.00 H new ATOM 0 HE1 PHE A 90 4.127 -9.037 8.040 1.00 0.00 H new ATOM 0 HE2 PHE A 90 1.813 -11.526 5.474 1.00 0.00 H new ATOM 0 HZ PHE A 90 4.002 -10.776 6.305 1.00 0.00 H new ATOM 1384 N HIS A 91 -0.942 -6.658 5.213 1.00 0.00 N ATOM 1385 CA HIS A 91 -1.029 -6.788 3.759 1.00 0.00 C ATOM 1386 C HIS A 91 0.342 -6.480 3.162 1.00 0.00 C ATOM 1387 O HIS A 91 0.864 -5.379 3.341 1.00 0.00 O ATOM 1388 CB HIS A 91 -2.091 -5.816 3.204 1.00 0.00 C ATOM 1389 CG HIS A 91 -2.576 -6.120 1.807 1.00 0.00 C ATOM 1390 ND1 HIS A 91 -3.807 -5.717 1.327 1.00 0.00 N ATOM 1391 CD2 HIS A 91 -1.991 -6.802 0.783 1.00 0.00 C ATOM 1392 CE1 HIS A 91 -3.929 -6.157 0.072 1.00 0.00 C ATOM 1393 NE2 HIS A 91 -2.856 -6.820 -0.306 1.00 0.00 N ATOM 0 H HIS A 91 -0.639 -5.736 5.527 1.00 0.00 H new ATOM 0 HA HIS A 91 -1.326 -7.802 3.491 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -2.948 -5.818 3.877 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -1.678 -4.807 3.216 1.00 0.00 H new ATOM 0 HD1 HIS A 91 -4.502 -5.177 1.842 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -1.012 -7.256 0.812 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -4.795 -5.991 -0.552 1.00 0.00 H new ATOM 1401 N HIS A 92 0.936 -7.448 2.479 1.00 0.00 N ATOM 1402 CA HIS A 92 2.275 -7.278 1.923 1.00 0.00 C ATOM 1403 C HIS A 92 2.248 -7.441 0.409 1.00 0.00 C ATOM 1404 O HIS A 92 1.210 -7.757 -0.169 1.00 0.00 O ATOM 1405 CB HIS A 92 3.251 -8.289 2.545 1.00 0.00 C ATOM 1406 CG HIS A 92 3.046 -9.704 2.094 1.00 0.00 C ATOM 1407 ND1 HIS A 92 3.645 -10.242 0.978 1.00 0.00 N ATOM 1408 CD2 HIS A 92 2.306 -10.703 2.639 1.00 0.00 C ATOM 1409 CE1 HIS A 92 3.265 -11.519 0.881 1.00 0.00 C ATOM 1410 NE2 HIS A 92 2.452 -11.850 1.865 1.00 0.00 N ATOM 0 H HIS A 92 0.515 -8.359 2.296 1.00 0.00 H new ATOM 0 HA HIS A 92 2.618 -6.271 2.161 1.00 0.00 H new ATOM 0 HB2 HIS A 92 4.270 -7.987 2.304 1.00 0.00 H new ATOM 0 HB3 HIS A 92 3.155 -8.249 3.630 1.00 0.00 H new ATOM 0 HD2 HIS A 92 1.701 -10.621 3.530 1.00 0.00 H new ATOM 0 HE1 HIS A 92 3.582 -12.193 0.099 1.00 0.00 H new ATOM 0 HE2 HIS A 92 2.019 -12.760 2.026 1.00 0.00 H new ATOM 1418 N TRP A 93 3.391 -7.217 -0.227 1.00 0.00 N ATOM 1419 CA TRP A 93 3.528 -7.429 -1.661 1.00 0.00 C ATOM 1420 C TRP A 93 4.933 -7.909 -1.984 1.00 0.00 C ATOM 1421 O TRP A 93 5.876 -7.660 -1.229 1.00 0.00 O ATOM 1422 CB TRP A 93 3.192 -6.148 -2.440 1.00 0.00 C ATOM 1423 CG TRP A 93 4.159 -5.011 -2.241 1.00 0.00 C ATOM 1424 CD1 TRP A 93 5.223 -4.688 -3.036 1.00 0.00 C ATOM 1425 CD2 TRP A 93 4.136 -4.035 -1.189 1.00 0.00 C ATOM 1426 NE1 TRP A 93 5.860 -3.577 -2.544 1.00 0.00 N ATOM 1427 CE2 TRP A 93 5.213 -3.157 -1.411 1.00 0.00 C ATOM 1428 CE3 TRP A 93 3.309 -3.819 -0.083 1.00 0.00 C ATOM 1429 CZ2 TRP A 93 5.485 -2.082 -0.568 1.00 0.00 C ATOM 1430 CZ3 TRP A 93 3.580 -2.752 0.753 1.00 0.00 C ATOM 1431 CH2 TRP A 93 4.658 -1.895 0.507 1.00 0.00 C ATOM 0 H TRP A 93 4.240 -6.887 0.231 1.00 0.00 H new ATOM 0 HA TRP A 93 2.819 -8.198 -1.968 1.00 0.00 H new ATOM 0 HB2 TRP A 93 3.149 -6.387 -3.503 1.00 0.00 H new ATOM 0 HB3 TRP A 93 2.196 -5.814 -2.148 1.00 0.00 H new ATOM 0 HD1 TRP A 93 5.519 -5.229 -3.923 1.00 0.00 H new ATOM 0 HE1 TRP A 93 6.682 -3.135 -2.955 1.00 0.00 H new ATOM 0 HE3 TRP A 93 2.473 -4.474 0.115 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 6.318 -1.420 -0.755 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 2.948 -2.577 1.611 1.00 0.00 H new ATOM 0 HH2 TRP A 93 4.842 -1.069 1.179 1.00 0.00 H new ATOM 1442 N LYS A 94 5.068 -8.612 -3.101 1.00 0.00 N ATOM 1443 CA LYS A 94 6.354 -9.137 -3.526 1.00 0.00 C ATOM 1444 C LYS A 94 6.738 -8.585 -4.886 1.00 0.00 C ATOM 1445 O LYS A 94 5.998 -8.734 -5.858 1.00 0.00 O ATOM 1446 CB LYS A 94 6.329 -10.669 -3.621 1.00 0.00 C ATOM 1447 CG LYS A 94 7.688 -11.276 -4.002 1.00 0.00 C ATOM 1448 CD LYS A 94 7.552 -12.680 -4.591 1.00 0.00 C ATOM 1449 CE LYS A 94 6.886 -12.656 -5.964 1.00 0.00 C ATOM 1450 NZ LYS A 94 6.875 -13.999 -6.601 1.00 0.00 N ATOM 0 H LYS A 94 4.296 -8.831 -3.731 1.00 0.00 H new ATOM 0 HA LYS A 94 7.084 -8.830 -2.777 1.00 0.00 H new ATOM 0 HB2 LYS A 94 6.011 -11.080 -2.663 1.00 0.00 H new ATOM 0 HB3 LYS A 94 5.585 -10.968 -4.359 1.00 0.00 H new ATOM 0 HG2 LYS A 94 8.183 -10.628 -4.725 1.00 0.00 H new ATOM 0 HG3 LYS A 94 8.326 -11.315 -3.119 1.00 0.00 H new ATOM 0 HD2 LYS A 94 8.538 -13.137 -4.673 1.00 0.00 H new ATOM 0 HD3 LYS A 94 6.967 -13.303 -3.914 1.00 0.00 H new ATOM 0 HE2 LYS A 94 5.863 -12.294 -5.864 1.00 0.00 H new ATOM 0 HE3 LYS A 94 7.412 -11.953 -6.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 6.414 -13.938 -7.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 7.852 -14.335 -6.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 6.351 -14.665 -5.998 1.00 0.00 H new ATOM 1464 N VAL A 95 7.885 -7.938 -4.938 1.00 0.00 N ATOM 1465 CA VAL A 95 8.576 -7.720 -6.191 1.00 0.00 C ATOM 1466 C VAL A 95 9.551 -8.871 -6.345 1.00 0.00 C ATOM 1467 O VAL A 95 10.088 -9.340 -5.340 1.00 0.00 O ATOM 1468 CB VAL A 95 9.331 -6.366 -6.222 1.00 0.00 C ATOM 1469 CG1 VAL A 95 8.344 -5.208 -6.111 1.00 0.00 C ATOM 1470 CG2 VAL A 95 10.383 -6.290 -5.112 1.00 0.00 C ATOM 0 H VAL A 95 8.360 -7.552 -4.122 1.00 0.00 H new ATOM 0 HA VAL A 95 7.858 -7.680 -7.010 1.00 0.00 H new ATOM 0 HB VAL A 95 9.852 -6.291 -7.176 1.00 0.00 H new ATOM 0 HG11 VAL A 95 8.887 -4.263 -6.134 1.00 0.00 H new ATOM 0 HG12 VAL A 95 7.645 -5.245 -6.946 1.00 0.00 H new ATOM 0 HG13 VAL A 95 7.794 -5.287 -5.173 1.00 0.00 H new ATOM 0 HG21 VAL A 95 10.895 -5.329 -5.161 1.00 0.00 H new ATOM 0 HG22 VAL A 95 9.897 -6.393 -4.142 1.00 0.00 H new ATOM 0 HG23 VAL A 95 11.108 -7.094 -5.242 1.00 0.00 H new ATOM 1480 N ASP A 96 9.744 -9.366 -7.562 1.00 0.00 N ATOM 1481 CA ASP A 96 10.621 -10.519 -7.779 1.00 0.00 C ATOM 1482 C ASP A 96 12.046 -10.207 -7.323 1.00 0.00 C ATOM 1483 O ASP A 96 12.924 -9.908 -8.137 1.00 0.00 O ATOM 1484 CB ASP A 96 10.601 -10.958 -9.250 1.00 0.00 C ATOM 1485 CG ASP A 96 11.326 -12.275 -9.474 1.00 0.00 C ATOM 1486 OD1 ASP A 96 10.901 -13.296 -8.888 1.00 0.00 O ATOM 1487 OD2 ASP A 96 12.312 -12.306 -10.246 1.00 0.00 O ATOM 0 H ASP A 96 9.312 -8.994 -8.408 1.00 0.00 H new ATOM 0 HA ASP A 96 10.245 -11.347 -7.178 1.00 0.00 H new ATOM 0 HB2 ASP A 96 9.568 -11.055 -9.583 1.00 0.00 H new ATOM 0 HB3 ASP A 96 11.062 -10.184 -9.863 1.00 0.00 H new ATOM 1492 N ASN A 97 12.241 -10.254 -6.003 1.00 0.00 N ATOM 1493 CA ASN A 97 13.505 -9.909 -5.349 1.00 0.00 C ATOM 1494 C ASN A 97 13.302 -9.830 -3.835 1.00 0.00 C ATOM 1495 O ASN A 97 14.036 -10.456 -3.065 1.00 0.00 O ATOM 1496 CB ASN A 97 14.062 -8.559 -5.862 1.00 0.00 C ATOM 1497 CG ASN A 97 15.370 -8.691 -6.635 1.00 0.00 C ATOM 1498 OD1 ASN A 97 16.230 -7.811 -6.571 1.00 0.00 O ATOM 1499 ND2 ASN A 97 15.520 -9.770 -7.389 1.00 0.00 N ATOM 0 H ASN A 97 11.513 -10.538 -5.348 1.00 0.00 H new ATOM 0 HA ASN A 97 14.227 -10.690 -5.589 1.00 0.00 H new ATOM 0 HB2 ASN A 97 13.317 -8.089 -6.503 1.00 0.00 H new ATOM 0 HB3 ASN A 97 14.217 -7.894 -5.013 1.00 0.00 H new ATOM 0 HD21 ASN A 97 16.369 -9.892 -7.941 1.00 0.00 H new ATOM 0 HD22 ASN A 97 14.787 -10.478 -7.417 1.00 0.00 H new ATOM 1506 N ARG A 98 12.293 -9.060 -3.419 1.00 0.00 N ATOM 1507 CA ARG A 98 12.030 -8.800 -1.996 1.00 0.00 C ATOM 1508 C ARG A 98 10.528 -8.770 -1.715 1.00 0.00 C ATOM 1509 O ARG A 98 9.722 -8.490 -2.606 1.00 0.00 O ATOM 1510 CB ARG A 98 12.657 -7.455 -1.555 1.00 0.00 C ATOM 1511 CG ARG A 98 13.852 -7.597 -0.613 1.00 0.00 C ATOM 1512 CD ARG A 98 15.075 -8.153 -1.323 1.00 0.00 C ATOM 1513 NE ARG A 98 16.103 -8.593 -0.381 1.00 0.00 N ATOM 1514 CZ ARG A 98 16.770 -9.739 -0.495 1.00 0.00 C ATOM 1515 NH1 ARG A 98 16.541 -10.544 -1.529 1.00 0.00 N ATOM 1516 NH2 ARG A 98 17.661 -10.081 0.422 1.00 0.00 N ATOM 0 H ARG A 98 11.638 -8.601 -4.052 1.00 0.00 H new ATOM 0 HA ARG A 98 12.485 -9.611 -1.427 1.00 0.00 H new ATOM 0 HB2 ARG A 98 12.972 -6.906 -2.442 1.00 0.00 H new ATOM 0 HB3 ARG A 98 11.891 -6.854 -1.064 1.00 0.00 H new ATOM 0 HG2 ARG A 98 14.093 -6.624 -0.184 1.00 0.00 H new ATOM 0 HG3 ARG A 98 13.584 -8.253 0.215 1.00 0.00 H new ATOM 0 HD2 ARG A 98 14.778 -8.991 -1.953 1.00 0.00 H new ATOM 0 HD3 ARG A 98 15.490 -7.390 -1.982 1.00 0.00 H new ATOM 0 HE ARG A 98 16.322 -7.986 0.409 1.00 0.00 H new ATOM 0 HH11 ARG A 98 15.853 -10.283 -2.236 1.00 0.00 H new ATOM 0 HH12 ARG A 98 17.053 -11.422 -1.615 1.00 0.00 H new ATOM 0 HH21 ARG A 98 17.837 -9.466 1.217 1.00 0.00 H new ATOM 0 HH22 ARG A 98 18.172 -10.959 0.334 1.00 0.00 H new ATOM 1530 N LYS A 99 10.163 -9.051 -0.465 1.00 0.00 N ATOM 1531 CA LYS A 99 8.779 -8.930 -0.009 1.00 0.00 C ATOM 1532 C LYS A 99 8.661 -7.801 1.010 1.00 0.00 C ATOM 1533 O LYS A 99 9.258 -7.863 2.089 1.00 0.00 O ATOM 1534 CB LYS A 99 8.278 -10.252 0.603 1.00 0.00 C ATOM 1535 CG LYS A 99 7.955 -11.323 -0.429 1.00 0.00 C ATOM 1536 CD LYS A 99 7.270 -12.543 0.186 1.00 0.00 C ATOM 1537 CE LYS A 99 6.984 -13.610 -0.869 1.00 0.00 C ATOM 1538 NZ LYS A 99 6.146 -14.724 -0.345 1.00 0.00 N ATOM 0 H LYS A 99 10.813 -9.367 0.255 1.00 0.00 H new ATOM 0 HA LYS A 99 8.155 -8.700 -0.873 1.00 0.00 H new ATOM 0 HB2 LYS A 99 9.036 -10.636 1.286 1.00 0.00 H new ATOM 0 HB3 LYS A 99 7.386 -10.052 1.197 1.00 0.00 H new ATOM 0 HG2 LYS A 99 7.310 -10.898 -1.199 1.00 0.00 H new ATOM 0 HG3 LYS A 99 8.875 -11.637 -0.922 1.00 0.00 H new ATOM 0 HD2 LYS A 99 7.903 -12.962 0.968 1.00 0.00 H new ATOM 0 HD3 LYS A 99 6.337 -12.238 0.660 1.00 0.00 H new ATOM 0 HE2 LYS A 99 6.480 -13.150 -1.719 1.00 0.00 H new ATOM 0 HE3 LYS A 99 7.927 -14.013 -1.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 5.982 -15.420 -1.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 6.636 -15.184 0.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 5.234 -14.348 -0.017 1.00 0.00 H new ATOM 1552 N PHE A 100 7.898 -6.769 0.660 1.00 0.00 N ATOM 1553 CA PHE A 100 7.673 -5.631 1.549 1.00 0.00 C ATOM 1554 C PHE A 100 6.285 -5.741 2.169 1.00 0.00 C ATOM 1555 O PHE A 100 5.316 -6.053 1.477 1.00 0.00 O ATOM 1556 CB PHE A 100 7.800 -4.307 0.784 1.00 0.00 C ATOM 1557 CG PHE A 100 9.069 -4.176 -0.025 1.00 0.00 C ATOM 1558 CD1 PHE A 100 10.315 -4.292 0.576 1.00 0.00 C ATOM 1559 CD2 PHE A 100 9.013 -3.927 -1.391 1.00 0.00 C ATOM 1560 CE1 PHE A 100 11.474 -4.164 -0.164 1.00 0.00 C ATOM 1561 CE2 PHE A 100 10.169 -3.799 -2.135 1.00 0.00 C ATOM 1562 CZ PHE A 100 11.401 -3.917 -1.523 1.00 0.00 C ATOM 0 H PHE A 100 7.422 -6.697 -0.239 1.00 0.00 H new ATOM 0 HA PHE A 100 8.429 -5.645 2.334 1.00 0.00 H new ATOM 0 HB2 PHE A 100 6.945 -4.203 0.116 1.00 0.00 H new ATOM 0 HB3 PHE A 100 7.750 -3.483 1.496 1.00 0.00 H new ATOM 0 HD1 PHE A 100 10.379 -4.485 1.637 1.00 0.00 H new ATOM 0 HD2 PHE A 100 8.053 -3.832 -1.877 1.00 0.00 H new ATOM 0 HE1 PHE A 100 12.436 -4.257 0.318 1.00 0.00 H new ATOM 0 HE2 PHE A 100 10.110 -3.607 -3.196 1.00 0.00 H new ATOM 0 HZ PHE A 100 12.306 -3.817 -2.104 1.00 0.00 H new ATOM 1572 N GLY A 101 6.194 -5.498 3.470 1.00 0.00 N ATOM 1573 CA GLY A 101 4.932 -5.642 4.175 1.00 0.00 C ATOM 1574 C GLY A 101 4.377 -4.321 4.661 1.00 0.00 C ATOM 1575 O GLY A 101 5.131 -3.421 5.026 1.00 0.00 O ATOM 0 H GLY A 101 6.976 -5.202 4.054 1.00 0.00 H new ATOM 0 HA2 GLY A 101 4.205 -6.116 3.515 1.00 0.00 H new ATOM 0 HA3 GLY A 101 5.071 -6.308 5.027 1.00 0.00 H new ATOM 1579 N LEU A 102 3.055 -4.207 4.669 1.00 0.00 N ATOM 1580 CA LEU A 102 2.382 -3.019 5.178 1.00 0.00 C ATOM 1581 C LEU A 102 1.389 -3.446 6.261 1.00 0.00 C ATOM 1582 O LEU A 102 0.457 -4.208 5.995 1.00 0.00 O ATOM 1583 CB LEU A 102 1.664 -2.283 4.027 1.00 0.00 C ATOM 1584 CG LEU A 102 1.442 -0.766 4.219 1.00 0.00 C ATOM 1585 CD1 LEU A 102 0.821 -0.154 2.965 1.00 0.00 C ATOM 1586 CD2 LEU A 102 0.570 -0.478 5.438 1.00 0.00 C ATOM 0 H LEU A 102 2.423 -4.930 4.325 1.00 0.00 H new ATOM 0 HA LEU A 102 3.109 -2.331 5.610 1.00 0.00 H new ATOM 0 HB2 LEU A 102 2.240 -2.432 3.114 1.00 0.00 H new ATOM 0 HB3 LEU A 102 0.693 -2.754 3.872 1.00 0.00 H new ATOM 0 HG LEU A 102 2.416 -0.308 4.390 1.00 0.00 H new ATOM 0 HD11 LEU A 102 0.671 0.915 3.118 1.00 0.00 H new ATOM 0 HD12 LEU A 102 1.487 -0.310 2.116 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.139 -0.630 2.765 1.00 0.00 H new ATOM 0 HD21 LEU A 102 0.435 0.599 5.542 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -0.402 -0.955 5.311 1.00 0.00 H new ATOM 0 HD23 LEU A 102 1.053 -0.871 6.332 1.00 0.00 H new ATOM 1598 N THR A 103 1.621 -2.988 7.483 1.00 0.00 N ATOM 1599 CA THR A 103 0.742 -3.282 8.605 1.00 0.00 C ATOM 1600 C THR A 103 -0.103 -2.055 8.948 1.00 0.00 C ATOM 1601 O THR A 103 0.389 -1.094 9.548 1.00 0.00 O ATOM 1602 CB THR A 103 1.551 -3.730 9.843 1.00 0.00 C ATOM 1603 OG1 THR A 103 2.411 -4.823 9.484 1.00 0.00 O ATOM 1604 CG2 THR A 103 0.630 -4.160 10.987 1.00 0.00 C ATOM 0 H THR A 103 2.422 -2.404 7.724 1.00 0.00 H new ATOM 0 HA THR A 103 0.084 -4.100 8.313 1.00 0.00 H new ATOM 0 HB THR A 103 2.145 -2.882 10.185 1.00 0.00 H new ATOM 0 HG1 THR A 103 2.925 -5.106 10.269 1.00 0.00 H new ATOM 0 HG21 THR A 103 1.232 -4.469 11.842 1.00 0.00 H new ATOM 0 HG22 THR A 103 -0.007 -3.324 11.275 1.00 0.00 H new ATOM 0 HG23 THR A 103 0.009 -4.994 10.660 1.00 0.00 H new ATOM 1612 N PHE A 104 -1.366 -2.090 8.537 1.00 0.00 N ATOM 1613 CA PHE A 104 -2.295 -0.986 8.757 1.00 0.00 C ATOM 1614 C PHE A 104 -2.572 -0.785 10.245 1.00 0.00 C ATOM 1615 O PHE A 104 -2.305 -1.675 11.061 1.00 0.00 O ATOM 1616 CB PHE A 104 -3.599 -1.250 8.003 1.00 0.00 C ATOM 1617 CG PHE A 104 -3.397 -1.431 6.522 1.00 0.00 C ATOM 1618 CD1 PHE A 104 -3.068 -0.350 5.720 1.00 0.00 C ATOM 1619 CD2 PHE A 104 -3.524 -2.681 5.935 1.00 0.00 C ATOM 1620 CE1 PHE A 104 -2.874 -0.513 4.363 1.00 0.00 C ATOM 1621 CE2 PHE A 104 -3.332 -2.847 4.579 1.00 0.00 C ATOM 1622 CZ PHE A 104 -3.005 -1.763 3.793 1.00 0.00 C ATOM 0 H PHE A 104 -1.775 -2.883 8.043 1.00 0.00 H new ATOM 0 HA PHE A 104 -1.839 -0.072 8.378 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -4.074 -2.142 8.411 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -4.284 -0.419 8.172 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -2.962 0.630 6.161 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -3.776 -3.535 6.547 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -2.620 0.337 3.748 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -3.438 -3.825 4.134 1.00 0.00 H new ATOM 0 HZ PHE A 104 -2.851 -1.892 2.732 1.00 0.00 H new ATOM 1632 N GLN A 105 -3.115 0.380 10.595 1.00 0.00 N ATOM 1633 CA GLN A 105 -3.365 0.714 11.996 1.00 0.00 C ATOM 1634 C GLN A 105 -4.842 0.552 12.350 1.00 0.00 C ATOM 1635 O GLN A 105 -5.179 0.311 13.511 1.00 0.00 O ATOM 1636 CB GLN A 105 -2.887 2.144 12.312 1.00 0.00 C ATOM 1637 CG GLN A 105 -3.571 3.237 11.497 1.00 0.00 C ATOM 1638 CD GLN A 105 -3.133 4.635 11.909 1.00 0.00 C ATOM 1639 OE1 GLN A 105 -2.167 5.181 11.380 1.00 0.00 O ATOM 1640 NE2 GLN A 105 -3.839 5.226 12.862 1.00 0.00 N ATOM 0 H GLN A 105 -3.389 1.105 9.932 1.00 0.00 H new ATOM 0 HA GLN A 105 -2.794 0.016 12.609 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -3.051 2.342 13.371 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -1.812 2.200 12.140 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -3.351 3.088 10.440 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -4.651 3.150 11.613 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -4.635 4.744 13.280 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -3.586 6.162 13.178 1.00 0.00 H new ATOM 1649 N SER A 106 -5.721 0.689 11.360 1.00 0.00 N ATOM 1650 CA SER A 106 -7.157 0.541 11.584 1.00 0.00 C ATOM 1651 C SER A 106 -7.842 -0.048 10.344 1.00 0.00 C ATOM 1652 O SER A 106 -7.377 0.151 9.220 1.00 0.00 O ATOM 1653 CB SER A 106 -7.778 1.902 11.939 1.00 0.00 C ATOM 1654 OG SER A 106 -7.097 2.504 13.031 1.00 0.00 O ATOM 0 H SER A 106 -5.465 0.902 10.396 1.00 0.00 H new ATOM 0 HA SER A 106 -7.308 -0.146 12.417 1.00 0.00 H new ATOM 0 HB2 SER A 106 -7.737 2.562 11.072 1.00 0.00 H new ATOM 0 HB3 SER A 106 -8.831 1.771 12.190 1.00 0.00 H new ATOM 0 HG SER A 106 -7.509 3.369 13.237 1.00 0.00 H new ATOM 1660 N PRO A 107 -8.947 -0.799 10.534 1.00 0.00 N ATOM 1661 CA PRO A 107 -9.726 -1.374 9.424 1.00 0.00 C ATOM 1662 C PRO A 107 -10.109 -0.332 8.367 1.00 0.00 C ATOM 1663 O PRO A 107 -10.295 -0.668 7.198 1.00 0.00 O ATOM 1664 CB PRO A 107 -10.975 -1.930 10.118 1.00 0.00 C ATOM 1665 CG PRO A 107 -10.521 -2.239 11.504 1.00 0.00 C ATOM 1666 CD PRO A 107 -9.513 -1.175 11.848 1.00 0.00 C ATOM 0 HA PRO A 107 -9.157 -2.125 8.876 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -11.787 -1.202 10.118 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -11.347 -2.822 9.613 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -11.358 -2.226 12.202 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -10.076 -3.232 11.558 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -9.981 -0.323 12.342 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -8.745 -1.553 12.523 1.00 0.00 H new ATOM 1674 N ALA A 108 -10.228 0.928 8.787 1.00 0.00 N ATOM 1675 CA ALA A 108 -10.562 2.019 7.869 1.00 0.00 C ATOM 1676 C ALA A 108 -9.496 2.166 6.781 1.00 0.00 C ATOM 1677 O ALA A 108 -9.782 1.978 5.592 1.00 0.00 O ATOM 1678 CB ALA A 108 -10.726 3.331 8.631 1.00 0.00 C ATOM 0 H ALA A 108 -10.098 1.219 9.756 1.00 0.00 H new ATOM 0 HA ALA A 108 -11.509 1.775 7.388 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -10.974 4.129 7.932 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -11.527 3.229 9.364 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -9.795 3.573 9.143 1.00 0.00 H new ATOM 1684 N ASP A 109 -8.272 2.493 7.197 1.00 0.00 N ATOM 1685 CA ASP A 109 -7.153 2.664 6.267 1.00 0.00 C ATOM 1686 C ASP A 109 -6.819 1.349 5.572 1.00 0.00 C ATOM 1687 O ASP A 109 -6.447 1.336 4.395 1.00 0.00 O ATOM 1688 CB ASP A 109 -5.915 3.237 6.987 1.00 0.00 C ATOM 1689 CG ASP A 109 -5.639 2.586 8.338 1.00 0.00 C ATOM 1690 OD1 ASP A 109 -6.264 3.008 9.336 1.00 0.00 O ATOM 1691 OD2 ASP A 109 -4.794 1.670 8.418 1.00 0.00 O ATOM 0 H ASP A 109 -8.029 2.645 8.176 1.00 0.00 H new ATOM 0 HA ASP A 109 -7.457 3.381 5.505 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -5.042 3.110 6.347 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -6.052 4.309 7.131 1.00 0.00 H new ATOM 1696 N ALA A 110 -6.974 0.246 6.297 1.00 0.00 N ATOM 1697 CA ALA A 110 -6.760 -1.084 5.736 1.00 0.00 C ATOM 1698 C ALA A 110 -7.671 -1.319 4.535 1.00 0.00 C ATOM 1699 O ALA A 110 -7.204 -1.517 3.412 1.00 0.00 O ATOM 1700 CB ALA A 110 -7.000 -2.151 6.802 1.00 0.00 C ATOM 0 H ALA A 110 -7.248 0.247 7.279 1.00 0.00 H new ATOM 0 HA ALA A 110 -5.726 -1.151 5.397 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -6.837 -3.139 6.371 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -6.309 -1.999 7.631 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -8.025 -2.078 7.165 1.00 0.00 H new ATOM 1706 N ARG A 111 -8.972 -1.256 4.785 1.00 0.00 N ATOM 1707 CA ARG A 111 -9.988 -1.526 3.771 1.00 0.00 C ATOM 1708 C ARG A 111 -9.868 -0.532 2.614 1.00 0.00 C ATOM 1709 O ARG A 111 -10.062 -0.887 1.445 1.00 0.00 O ATOM 1710 CB ARG A 111 -11.375 -1.435 4.419 1.00 0.00 C ATOM 1711 CG ARG A 111 -12.515 -2.019 3.592 1.00 0.00 C ATOM 1712 CD ARG A 111 -13.831 -1.933 4.356 1.00 0.00 C ATOM 1713 NE ARG A 111 -14.925 -2.643 3.694 1.00 0.00 N ATOM 1714 CZ ARG A 111 -16.097 -2.909 4.277 1.00 0.00 C ATOM 1715 NH1 ARG A 111 -16.319 -2.535 5.533 1.00 0.00 N ATOM 1716 NH2 ARG A 111 -17.041 -3.555 3.605 1.00 0.00 N ATOM 0 H ARG A 111 -9.356 -1.016 5.699 1.00 0.00 H new ATOM 0 HA ARG A 111 -9.842 -2.528 3.367 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -11.344 -1.948 5.380 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -11.595 -0.387 4.624 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -12.600 -1.480 2.648 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -12.298 -3.059 3.347 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -13.691 -2.344 5.356 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -14.106 -0.885 4.477 1.00 0.00 H new ATOM 0 HE ARG A 111 -14.785 -2.953 2.732 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -15.593 -2.043 6.055 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -17.215 -2.740 5.975 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -16.872 -3.849 2.643 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -17.936 -3.758 4.050 1.00 0.00 H new ATOM 1730 N ALA A 112 -9.531 0.711 2.956 1.00 0.00 N ATOM 1731 CA ALA A 112 -9.355 1.764 1.962 1.00 0.00 C ATOM 1732 C ALA A 112 -8.211 1.422 1.015 1.00 0.00 C ATOM 1733 O ALA A 112 -8.342 1.556 -0.209 1.00 0.00 O ATOM 1734 CB ALA A 112 -9.098 3.104 2.647 1.00 0.00 C ATOM 0 H ALA A 112 -9.374 1.012 3.918 1.00 0.00 H new ATOM 0 HA ALA A 112 -10.272 1.843 1.378 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -8.969 3.880 1.892 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -9.946 3.355 3.284 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -8.196 3.035 3.254 1.00 0.00 H new ATOM 1740 N PHE A 113 -7.097 0.965 1.582 1.00 0.00 N ATOM 1741 CA PHE A 113 -5.919 0.627 0.793 1.00 0.00 C ATOM 1742 C PHE A 113 -6.117 -0.711 0.084 1.00 0.00 C ATOM 1743 O PHE A 113 -5.519 -0.951 -0.960 1.00 0.00 O ATOM 1744 CB PHE A 113 -4.662 0.595 1.672 1.00 0.00 C ATOM 1745 CG PHE A 113 -3.369 0.573 0.886 1.00 0.00 C ATOM 1746 CD1 PHE A 113 -2.767 1.759 0.487 1.00 0.00 C ATOM 1747 CD2 PHE A 113 -2.759 -0.628 0.543 1.00 0.00 C ATOM 1748 CE1 PHE A 113 -1.586 1.748 -0.233 1.00 0.00 C ATOM 1749 CE2 PHE A 113 -1.579 -0.642 -0.178 1.00 0.00 C ATOM 1750 CZ PHE A 113 -0.993 0.546 -0.567 1.00 0.00 C ATOM 0 H PHE A 113 -6.987 0.821 2.586 1.00 0.00 H new ATOM 0 HA PHE A 113 -5.781 1.400 0.037 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -4.664 1.467 2.326 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -4.701 -0.285 2.314 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -3.227 2.702 0.742 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -3.212 -1.561 0.843 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -1.128 2.679 -0.534 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -1.116 -1.583 -0.437 1.00 0.00 H new ATOM 0 HZ PHE A 113 -0.072 0.536 -1.132 1.00 0.00 H new ATOM 1760 N ASP A 114 -6.961 -1.578 0.652 1.00 0.00 N ATOM 1761 CA ASP A 114 -7.331 -2.832 -0.012 1.00 0.00 C ATOM 1762 C ASP A 114 -7.988 -2.516 -1.349 1.00 0.00 C ATOM 1763 O ASP A 114 -7.537 -2.970 -2.407 1.00 0.00 O ATOM 1764 CB ASP A 114 -8.281 -3.684 0.854 1.00 0.00 C ATOM 1765 CG ASP A 114 -7.577 -4.394 2.004 1.00 0.00 C ATOM 1766 OD1 ASP A 114 -6.487 -4.963 1.787 1.00 0.00 O ATOM 1767 OD2 ASP A 114 -8.127 -4.418 3.128 1.00 0.00 O ATOM 0 H ASP A 114 -7.398 -1.437 1.563 1.00 0.00 H new ATOM 0 HA ASP A 114 -6.423 -3.415 -0.168 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -9.065 -3.044 1.258 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -8.769 -4.426 0.222 1.00 0.00 H new ATOM 1772 N ARG A 115 -9.049 -1.713 -1.301 1.00 0.00 N ATOM 1773 CA ARG A 115 -9.699 -1.245 -2.523 1.00 0.00 C ATOM 1774 C ARG A 115 -8.747 -0.359 -3.318 1.00 0.00 C ATOM 1775 O ARG A 115 -8.838 -0.270 -4.543 1.00 0.00 O ATOM 1776 CB ARG A 115 -10.997 -0.486 -2.211 1.00 0.00 C ATOM 1777 CG ARG A 115 -12.155 -1.390 -1.806 1.00 0.00 C ATOM 1778 CD ARG A 115 -13.457 -0.610 -1.659 1.00 0.00 C ATOM 1779 NE ARG A 115 -14.610 -1.497 -1.513 1.00 0.00 N ATOM 1780 CZ ARG A 115 -15.880 -1.100 -1.591 1.00 0.00 C ATOM 1781 NH1 ARG A 115 -16.169 0.185 -1.782 1.00 0.00 N ATOM 1782 NH2 ARG A 115 -16.860 -1.988 -1.472 1.00 0.00 N ATOM 0 H ARG A 115 -9.474 -1.375 -0.437 1.00 0.00 H new ATOM 0 HA ARG A 115 -9.958 -2.118 -3.122 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -10.806 0.227 -1.408 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -11.289 0.092 -3.088 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -12.283 -2.174 -2.553 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -11.918 -1.884 -0.863 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -13.391 0.046 -0.791 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -13.598 0.029 -2.531 1.00 0.00 H new ATOM 0 HE ARG A 115 -14.430 -2.486 -1.340 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -15.418 0.869 -1.869 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -17.142 0.486 -1.841 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -16.641 -2.973 -1.321 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -17.832 -1.686 -1.531 1.00 0.00 H new ATOM 1796 N GLY A 116 -7.827 0.290 -2.606 1.00 0.00 N ATOM 1797 CA GLY A 116 -6.816 1.107 -3.248 1.00 0.00 C ATOM 1798 C GLY A 116 -5.957 0.303 -4.205 1.00 0.00 C ATOM 1799 O GLY A 116 -5.911 0.592 -5.403 1.00 0.00 O ATOM 0 H GLY A 116 -7.766 0.262 -1.588 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -7.298 1.920 -3.790 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -6.182 1.563 -2.488 1.00 0.00 H new ATOM 1803 N VAL A 117 -5.298 -0.724 -3.682 1.00 0.00 N ATOM 1804 CA VAL A 117 -4.427 -1.568 -4.487 1.00 0.00 C ATOM 1805 C VAL A 117 -5.241 -2.335 -5.526 1.00 0.00 C ATOM 1806 O VAL A 117 -4.770 -2.566 -6.637 1.00 0.00 O ATOM 1807 CB VAL A 117 -3.601 -2.557 -3.618 1.00 0.00 C ATOM 1808 CG1 VAL A 117 -4.504 -3.496 -2.817 1.00 0.00 C ATOM 1809 CG2 VAL A 117 -2.624 -3.351 -4.486 1.00 0.00 C ATOM 0 H VAL A 117 -5.352 -0.992 -2.699 1.00 0.00 H new ATOM 0 HA VAL A 117 -3.721 -0.911 -4.995 1.00 0.00 H new ATOM 0 HB VAL A 117 -3.028 -1.967 -2.903 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -3.890 -4.172 -2.222 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -5.143 -2.910 -2.156 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -5.124 -4.076 -3.501 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -2.055 -4.038 -3.859 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -3.179 -3.918 -5.234 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -1.940 -2.665 -4.985 1.00 0.00 H new ATOM 1819 N ARG A 118 -6.469 -2.706 -5.167 1.00 0.00 N ATOM 1820 CA ARG A 118 -7.359 -3.403 -6.093 1.00 0.00 C ATOM 1821 C ARG A 118 -7.620 -2.548 -7.336 1.00 0.00 C ATOM 1822 O ARG A 118 -7.385 -2.992 -8.463 1.00 0.00 O ATOM 1823 CB ARG A 118 -8.678 -3.774 -5.399 1.00 0.00 C ATOM 1824 CG ARG A 118 -9.690 -4.460 -6.317 1.00 0.00 C ATOM 1825 CD ARG A 118 -10.888 -4.999 -5.538 1.00 0.00 C ATOM 1826 NE ARG A 118 -10.500 -6.080 -4.626 1.00 0.00 N ATOM 1827 CZ ARG A 118 -11.264 -6.547 -3.635 1.00 0.00 C ATOM 1828 NH1 ARG A 118 -12.463 -6.027 -3.400 1.00 0.00 N ATOM 1829 NH2 ARG A 118 -10.822 -7.545 -2.883 1.00 0.00 N ATOM 0 H ARG A 118 -6.869 -2.536 -4.244 1.00 0.00 H new ATOM 0 HA ARG A 118 -6.871 -4.325 -6.411 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -8.462 -4.432 -4.557 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -9.128 -2.870 -4.989 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -10.035 -3.752 -7.071 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -9.203 -5.278 -6.847 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -11.346 -4.190 -4.969 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -11.641 -5.364 -6.236 1.00 0.00 H new ATOM 0 HE ARG A 118 -9.582 -6.505 -4.758 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -12.810 -5.262 -3.979 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -13.037 -6.392 -2.640 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -9.904 -7.951 -3.063 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -11.400 -7.907 -2.124 1.00 0.00 H new ATOM 1843 N LYS A 119 -8.076 -1.311 -7.131 1.00 0.00 N ATOM 1844 CA LYS A 119 -8.362 -0.417 -8.251 1.00 0.00 C ATOM 1845 C LYS A 119 -7.063 0.003 -8.938 1.00 0.00 C ATOM 1846 O LYS A 119 -7.059 0.360 -10.116 1.00 0.00 O ATOM 1847 CB LYS A 119 -9.174 0.814 -7.802 1.00 0.00 C ATOM 1848 CG LYS A 119 -8.390 1.863 -7.009 1.00 0.00 C ATOM 1849 CD LYS A 119 -9.277 3.054 -6.638 1.00 0.00 C ATOM 1850 CE LYS A 119 -8.481 4.217 -6.050 1.00 0.00 C ATOM 1851 NZ LYS A 119 -7.789 3.852 -4.784 1.00 0.00 N ATOM 0 H LYS A 119 -8.253 -0.910 -6.210 1.00 0.00 H new ATOM 0 HA LYS A 119 -8.975 -0.962 -8.969 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -9.596 1.292 -8.686 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -10.011 0.474 -7.193 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -7.986 1.411 -6.103 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -7.541 2.208 -7.599 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -9.811 3.395 -7.525 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -10.029 2.732 -5.918 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -7.744 4.554 -6.779 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -9.152 5.056 -5.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -7.540 4.717 -4.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -8.419 3.266 -4.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -6.924 3.318 -5.003 1.00 0.00 H new ATOM 1865 N ALA A 120 -5.958 -0.051 -8.194 1.00 0.00 N ATOM 1866 CA ALA A 120 -4.640 0.204 -8.765 1.00 0.00 C ATOM 1867 C ALA A 120 -4.271 -0.903 -9.749 1.00 0.00 C ATOM 1868 O ALA A 120 -3.773 -0.633 -10.838 1.00 0.00 O ATOM 1869 CB ALA A 120 -3.589 0.321 -7.669 1.00 0.00 C ATOM 0 H ALA A 120 -5.952 -0.269 -7.198 1.00 0.00 H new ATOM 0 HA ALA A 120 -4.673 1.152 -9.302 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -2.614 0.511 -8.118 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -3.848 1.144 -7.003 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -3.551 -0.608 -7.100 1.00 0.00 H new ATOM 1875 N ILE A 121 -4.540 -2.151 -9.363 1.00 0.00 N ATOM 1876 CA ILE A 121 -4.298 -3.302 -10.232 1.00 0.00 C ATOM 1877 C ILE A 121 -5.165 -3.200 -11.483 1.00 0.00 C ATOM 1878 O ILE A 121 -4.707 -3.473 -12.593 1.00 0.00 O ATOM 1879 CB ILE A 121 -4.584 -4.646 -9.507 1.00 0.00 C ATOM 1880 CG1 ILE A 121 -3.605 -4.839 -8.333 1.00 0.00 C ATOM 1881 CG2 ILE A 121 -4.503 -5.828 -10.478 1.00 0.00 C ATOM 1882 CD1 ILE A 121 -3.863 -6.091 -7.515 1.00 0.00 C ATOM 0 H ILE A 121 -4.927 -2.390 -8.450 1.00 0.00 H new ATOM 0 HA ILE A 121 -3.244 -3.289 -10.509 1.00 0.00 H new ATOM 0 HB ILE A 121 -5.600 -4.609 -9.113 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -2.588 -4.875 -8.723 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -3.664 -3.970 -7.677 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -4.708 -6.754 -9.941 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -5.239 -5.698 -11.272 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -3.505 -5.874 -10.913 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -3.133 -6.155 -6.708 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -4.867 -6.049 -7.093 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -3.775 -6.969 -8.155 1.00 0.00 H new ATOM 1894 N GLU A 122 -6.415 -2.792 -11.295 1.00 0.00 N ATOM 1895 CA GLU A 122 -7.318 -2.541 -12.414 1.00 0.00 C ATOM 1896 C GLU A 122 -6.725 -1.478 -13.341 1.00 0.00 C ATOM 1897 O GLU A 122 -6.738 -1.619 -14.559 1.00 0.00 O ATOM 1898 CB GLU A 122 -8.688 -2.075 -11.902 1.00 0.00 C ATOM 1899 CG GLU A 122 -9.395 -3.085 -11.007 1.00 0.00 C ATOM 1900 CD GLU A 122 -9.767 -4.364 -11.741 1.00 0.00 C ATOM 1901 OE1 GLU A 122 -10.862 -4.408 -12.344 1.00 0.00 O ATOM 1902 OE2 GLU A 122 -8.975 -5.329 -11.712 1.00 0.00 O ATOM 0 H GLU A 122 -6.827 -2.628 -10.377 1.00 0.00 H new ATOM 0 HA GLU A 122 -7.446 -3.470 -12.970 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -8.560 -1.144 -11.350 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -9.327 -1.853 -12.757 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -8.750 -3.330 -10.163 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -10.297 -2.631 -10.597 1.00 0.00 H new ATOM 1909 N ASP A 123 -6.189 -0.424 -12.741 1.00 0.00 N ATOM 1910 CA ASP A 123 -5.621 0.707 -13.481 1.00 0.00 C ATOM 1911 C ASP A 123 -4.253 0.333 -14.070 1.00 0.00 C ATOM 1912 O ASP A 123 -3.768 0.961 -15.012 1.00 0.00 O ATOM 1913 CB ASP A 123 -5.499 1.906 -12.523 1.00 0.00 C ATOM 1914 CG ASP A 123 -5.286 3.256 -13.202 1.00 0.00 C ATOM 1915 OD1 ASP A 123 -5.246 3.334 -14.447 1.00 0.00 O ATOM 1916 OD2 ASP A 123 -5.189 4.266 -12.468 1.00 0.00 O ATOM 0 H ASP A 123 -6.133 -0.324 -11.727 1.00 0.00 H new ATOM 0 HA ASP A 123 -6.273 0.971 -14.313 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -6.403 1.960 -11.916 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -4.668 1.724 -11.842 1.00 0.00 H new ATOM 1921 N LEU A 124 -3.646 -0.710 -13.506 1.00 0.00 N ATOM 1922 CA LEU A 124 -2.325 -1.181 -13.931 1.00 0.00 C ATOM 1923 C LEU A 124 -2.428 -2.201 -15.068 1.00 0.00 C ATOM 1924 O LEU A 124 -1.613 -2.202 -15.990 1.00 0.00 O ATOM 1925 CB LEU A 124 -1.595 -1.817 -12.738 1.00 0.00 C ATOM 1926 CG LEU A 124 -0.207 -2.406 -13.043 1.00 0.00 C ATOM 1927 CD1 LEU A 124 0.792 -1.304 -13.393 1.00 0.00 C ATOM 1928 CD2 LEU A 124 0.293 -3.241 -11.867 1.00 0.00 C ATOM 0 H LEU A 124 -4.053 -1.252 -12.744 1.00 0.00 H new ATOM 0 HA LEU A 124 -1.765 -0.321 -14.298 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -1.486 -1.063 -11.958 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -2.224 -2.609 -12.331 1.00 0.00 H new ATOM 0 HG LEU A 124 -0.300 -3.059 -13.911 1.00 0.00 H new ATOM 0 HD11 LEU A 124 1.765 -1.748 -13.604 1.00 0.00 H new ATOM 0 HD12 LEU A 124 0.442 -0.762 -14.272 1.00 0.00 H new ATOM 0 HD13 LEU A 124 0.882 -0.615 -12.553 1.00 0.00 H new ATOM 0 HD21 LEU A 124 1.276 -3.649 -12.102 1.00 0.00 H new ATOM 0 HD22 LEU A 124 0.364 -2.613 -10.979 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -0.403 -4.058 -11.679 1.00 0.00 H new ATOM 1940 N ILE A 125 -3.424 -3.078 -14.992 1.00 0.00 N ATOM 1941 CA ILE A 125 -3.536 -4.193 -15.934 1.00 0.00 C ATOM 1942 C ILE A 125 -4.749 -4.040 -16.854 1.00 0.00 C ATOM 1943 O ILE A 125 -4.664 -4.334 -18.052 1.00 0.00 O ATOM 1944 CB ILE A 125 -3.632 -5.548 -15.181 1.00 0.00 C ATOM 1945 CG1 ILE A 125 -2.401 -5.748 -14.274 1.00 0.00 C ATOM 1946 CG2 ILE A 125 -3.770 -6.710 -16.168 1.00 0.00 C ATOM 1947 CD1 ILE A 125 -2.418 -7.045 -13.487 1.00 0.00 C ATOM 0 H ILE A 125 -4.164 -3.041 -14.291 1.00 0.00 H new ATOM 0 HA ILE A 125 -2.634 -4.180 -16.545 1.00 0.00 H new ATOM 0 HB ILE A 125 -4.523 -5.529 -14.554 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -1.501 -5.720 -14.889 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -2.337 -4.913 -13.577 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -3.836 -7.649 -15.618 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -4.672 -6.575 -16.765 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -2.901 -6.734 -16.825 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -1.519 -7.111 -12.874 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -3.298 -7.069 -12.844 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -2.449 -7.889 -14.177 1.00 0.00 H new ATOM 1959 N GLU A 126 -5.865 -3.576 -16.300 1.00 0.00 N ATOM 1960 CA GLU A 126 -7.117 -3.494 -17.048 1.00 0.00 C ATOM 1961 C GLU A 126 -7.243 -2.121 -17.723 1.00 0.00 C ATOM 1962 O GLU A 126 -6.682 -1.949 -18.825 1.00 0.00 O ATOM 1963 CB GLU A 126 -8.311 -3.765 -16.114 1.00 0.00 C ATOM 1964 CG GLU A 126 -9.642 -3.943 -16.839 1.00 0.00 C ATOM 1965 CD GLU A 126 -9.663 -5.172 -17.736 1.00 0.00 C ATOM 1966 OE1 GLU A 126 -9.916 -6.283 -17.220 1.00 0.00 O ATOM 1967 OE2 GLU A 126 -9.428 -5.035 -18.958 1.00 0.00 O ATOM 1968 OXT GLU A 126 -7.882 -1.213 -17.151 1.00 0.00 O ATOM 0 H GLU A 126 -5.929 -3.251 -15.335 1.00 0.00 H new ATOM 0 HA GLU A 126 -7.117 -4.255 -17.828 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -8.105 -4.662 -15.530 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -8.401 -2.939 -15.409 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -10.443 -4.021 -16.104 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -9.845 -3.056 -17.440 1.00 0.00 H new