USER MOD reduce.3.24.130724 H: found=0, std=0, add=645, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 646 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 32 LYS NZ :NH3+ -116:sc= 2.01 (180deg=0.283) USER MOD Set 1.2: A 33 TYR OH : rot 30:sc= 0.104 USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 23 ASN : amide:sc= -2.33! C(o=-2.3!,f=-1.9!) USER MOD Single : A 10 SER OG : rot 22:sc= 0.251 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.002 USER MOD Single : A 13 TYR OH : rot 180:sc= -0.0125 USER MOD Single : A 15 SER OG : rot 180:sc= -0.536 USER MOD Single : A 16 ASN : amide:sc= -0.377 X(o=-0.38,f=-0.37) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN :FLIP amide:sc= -0.282 F(o=-1.7,f=-0.28) USER MOD Single : A 27 TYR OH : rot 112:sc= 1.19 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 MET CE :methyl -139:sc= -7.85! (180deg=-14.4!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.473 USER MOD Single : A 49 LYS NZ :NH3+ -163:sc= -0.0324 (180deg=-0.307) USER MOD Single : A 50 SER OG : rot 180:sc=0.000367 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -0.232 X(o=-0.23,f=-0.25) USER MOD Single : A 66 ASN : amide:sc= -0.238 K(o=-0.24,f=-1.7!) USER MOD Single : A 67 CYS SG : rot 94:sc= -0.135 USER MOD Single : A 68 THR OG1 : rot -40:sc= 0.0211 USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 73 ASN : amide:sc= -0.586 X(o=-0.59,f=-1.1) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot -15:sc= 0.676 USER MOD ----------------------------------------------------------------- ATOM 184 N SER A 10 -1.172 11.927 1.821 1.00 0.00 N ATOM 185 CA SER A 10 -1.104 10.878 0.811 1.00 0.00 C ATOM 186 C SER A 10 -1.067 9.499 1.462 1.00 0.00 C ATOM 187 O SER A 10 -1.843 8.611 1.108 1.00 0.00 O ATOM 188 CB SER A 10 0.130 11.071 -0.073 1.00 0.00 C ATOM 189 OG SER A 10 0.258 12.422 -0.483 1.00 0.00 O ATOM 0 HA SER A 10 -1.999 10.945 0.192 1.00 0.00 H new ATOM 0 HB2 SER A 10 1.023 10.767 0.473 1.00 0.00 H new ATOM 0 HB3 SER A 10 0.058 10.427 -0.949 1.00 0.00 H new ATOM 0 HG SER A 10 -0.237 13.000 0.135 1.00 0.00 H new ATOM 195 N THR A 11 -0.158 9.326 2.416 1.00 0.00 N ATOM 196 CA THR A 11 -0.017 8.056 3.117 1.00 0.00 C ATOM 197 C THR A 11 -1.379 7.446 3.429 1.00 0.00 C ATOM 198 O THR A 11 -2.356 8.163 3.650 1.00 0.00 O ATOM 199 CB THR A 11 0.771 8.223 4.430 1.00 0.00 C ATOM 200 OG1 THR A 11 1.995 8.922 4.181 1.00 0.00 O ATOM 201 CG2 THR A 11 1.072 6.869 5.056 1.00 0.00 C ATOM 0 H THR A 11 0.492 10.050 2.721 1.00 0.00 H new ATOM 0 HA THR A 11 0.534 7.389 2.454 1.00 0.00 H new ATOM 0 HB THR A 11 0.159 8.799 5.125 1.00 0.00 H new ATOM 0 HG1 THR A 11 2.489 9.026 5.021 1.00 0.00 H new ATOM 0 HG21 THR A 11 1.629 7.012 5.982 1.00 0.00 H new ATOM 0 HG22 THR A 11 0.137 6.352 5.271 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.666 6.272 4.364 1.00 0.00 H new ATOM 209 N VAL A 12 -1.438 6.118 3.446 1.00 0.00 N ATOM 210 CA VAL A 12 -2.681 5.412 3.733 1.00 0.00 C ATOM 211 C VAL A 12 -2.474 4.350 4.807 1.00 0.00 C ATOM 212 O VAL A 12 -1.712 3.401 4.618 1.00 0.00 O ATOM 213 CB VAL A 12 -3.251 4.743 2.468 1.00 0.00 C ATOM 214 CG1 VAL A 12 -4.561 4.037 2.782 1.00 0.00 C ATOM 215 CG2 VAL A 12 -3.441 5.770 1.362 1.00 0.00 C ATOM 0 H VAL A 12 -0.640 5.510 3.264 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.392 6.156 4.094 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.538 3.996 2.120 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.949 3.570 1.877 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.390 3.272 3.540 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.285 4.762 3.155 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.844 5.280 0.476 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.134 6.542 1.697 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.481 6.225 1.119 1.00 0.00 H new ATOM 225 N TYR A 13 -3.157 4.515 5.934 1.00 0.00 N ATOM 226 CA TYR A 13 -3.047 3.571 7.040 1.00 0.00 C ATOM 227 C TYR A 13 -3.810 2.285 6.737 1.00 0.00 C ATOM 228 O TYR A 13 -5.037 2.243 6.821 1.00 0.00 O ATOM 229 CB TYR A 13 -3.578 4.200 8.329 1.00 0.00 C ATOM 230 CG TYR A 13 -3.135 3.478 9.582 1.00 0.00 C ATOM 231 CD1 TYR A 13 -3.389 2.123 9.753 1.00 0.00 C ATOM 232 CD2 TYR A 13 -2.462 4.151 10.594 1.00 0.00 C ATOM 233 CE1 TYR A 13 -2.988 1.460 10.896 1.00 0.00 C ATOM 234 CE2 TYR A 13 -2.055 3.496 11.740 1.00 0.00 C ATOM 235 CZ TYR A 13 -2.321 2.150 11.887 1.00 0.00 C ATOM 236 OH TYR A 13 -1.918 1.493 13.026 1.00 0.00 O ATOM 0 H TYR A 13 -3.793 5.294 6.106 1.00 0.00 H new ATOM 0 HA TYR A 13 -1.993 3.325 7.170 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -3.246 5.237 8.381 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -4.667 4.215 8.294 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -3.909 1.579 8.979 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -2.253 5.205 10.483 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -3.195 0.407 11.014 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -1.532 4.034 12.516 1.00 0.00 H new ATOM 0 HH TYR A 13 -1.461 2.122 13.623 1.00 0.00 H new ATOM 246 N VAL A 14 -3.073 1.237 6.385 1.00 0.00 N ATOM 247 CA VAL A 14 -3.678 -0.052 6.070 1.00 0.00 C ATOM 248 C VAL A 14 -3.261 -1.116 7.080 1.00 0.00 C ATOM 249 O VAL A 14 -2.075 -1.291 7.358 1.00 0.00 O ATOM 250 CB VAL A 14 -3.291 -0.524 4.656 1.00 0.00 C ATOM 251 CG1 VAL A 14 -4.173 -1.684 4.220 1.00 0.00 C ATOM 252 CG2 VAL A 14 -3.384 0.629 3.667 1.00 0.00 C ATOM 0 H VAL A 14 -2.056 1.255 6.311 1.00 0.00 H new ATOM 0 HA VAL A 14 -4.758 0.086 6.116 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.259 -0.873 4.677 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.885 -2.004 3.219 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.052 -2.515 4.915 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -5.216 -1.366 4.213 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -3.107 0.279 2.673 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -4.405 1.009 3.647 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -2.706 1.426 3.973 1.00 0.00 H new ATOM 262 N SER A 15 -4.245 -1.824 7.626 1.00 0.00 N ATOM 263 CA SER A 15 -3.980 -2.869 8.608 1.00 0.00 C ATOM 264 C SER A 15 -4.543 -4.208 8.140 1.00 0.00 C ATOM 265 O SER A 15 -5.107 -4.311 7.052 1.00 0.00 O ATOM 266 CB SER A 15 -4.588 -2.492 9.960 1.00 0.00 C ATOM 267 OG SER A 15 -3.839 -3.048 11.028 1.00 0.00 O ATOM 0 H SER A 15 -5.232 -1.693 7.405 1.00 0.00 H new ATOM 0 HA SER A 15 -2.900 -2.967 8.718 1.00 0.00 H new ATOM 0 HB2 SER A 15 -4.618 -1.407 10.059 1.00 0.00 H new ATOM 0 HB3 SER A 15 -5.618 -2.846 10.011 1.00 0.00 H new ATOM 0 HG SER A 15 -4.246 -2.791 11.882 1.00 0.00 H new ATOM 273 N ASN A 16 -4.384 -5.232 8.973 1.00 0.00 N ATOM 274 CA ASN A 16 -4.875 -6.566 8.646 1.00 0.00 C ATOM 275 C ASN A 16 -4.344 -7.024 7.291 1.00 0.00 C ATOM 276 O ASN A 16 -4.994 -7.797 6.586 1.00 0.00 O ATOM 277 CB ASN A 16 -6.405 -6.581 8.638 1.00 0.00 C ATOM 278 CG ASN A 16 -6.987 -6.887 10.004 1.00 0.00 C ATOM 279 OD1 ASN A 16 -6.849 -6.100 10.941 1.00 0.00 O ATOM 280 ND2 ASN A 16 -7.643 -8.035 10.124 1.00 0.00 N ATOM 0 H ASN A 16 -3.919 -5.163 9.878 1.00 0.00 H new ATOM 0 HA ASN A 16 -4.515 -7.256 9.409 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -6.773 -5.613 8.298 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -6.755 -7.325 7.922 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -8.057 -8.295 11.019 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -7.733 -8.657 9.321 1.00 0.00 H new ATOM 287 N LEU A 17 -3.158 -6.543 6.934 1.00 0.00 N ATOM 288 CA LEU A 17 -2.538 -6.904 5.663 1.00 0.00 C ATOM 289 C LEU A 17 -1.767 -8.214 5.786 1.00 0.00 C ATOM 290 O LEU A 17 -1.170 -8.517 6.819 1.00 0.00 O ATOM 291 CB LEU A 17 -1.600 -5.789 5.197 1.00 0.00 C ATOM 292 CG LEU A 17 -2.271 -4.564 4.575 1.00 0.00 C ATOM 293 CD1 LEU A 17 -1.278 -3.420 4.444 1.00 0.00 C ATOM 294 CD2 LEU A 17 -2.866 -4.913 3.218 1.00 0.00 C ATOM 0 H LEU A 17 -2.607 -5.903 7.506 1.00 0.00 H new ATOM 0 HA LEU A 17 -3.329 -7.038 4.925 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.007 -5.460 6.050 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.905 -6.207 4.469 1.00 0.00 H new ATOM 0 HG LEU A 17 -3.079 -4.244 5.233 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.774 -2.557 3.999 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.899 -3.152 5.430 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.448 -3.729 3.808 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.339 -4.029 2.790 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.075 -5.259 2.552 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.610 -5.701 3.339 1.00 0.00 H new ATOM 306 N PRO A 18 -1.778 -9.010 4.707 1.00 0.00 N ATOM 307 CA PRO A 18 -1.082 -10.300 4.668 1.00 0.00 C ATOM 308 C PRO A 18 0.435 -10.141 4.657 1.00 0.00 C ATOM 309 O PRO A 18 1.057 -10.101 3.596 1.00 0.00 O ATOM 310 CB PRO A 18 -1.564 -10.924 3.356 1.00 0.00 C ATOM 311 CG PRO A 18 -1.944 -9.763 2.502 1.00 0.00 C ATOM 312 CD PRO A 18 -2.469 -8.713 3.441 1.00 0.00 C ATOM 0 HA PRO A 18 -1.297 -10.906 5.548 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -0.779 -11.519 2.889 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -2.412 -11.588 3.522 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -1.085 -9.392 1.943 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -2.701 -10.047 1.771 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -2.243 -7.708 3.086 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -3.552 -8.777 3.550 1.00 0.00 H new ATOM 320 N PHE A 19 1.024 -10.050 5.845 1.00 0.00 N ATOM 321 CA PHE A 19 2.468 -9.894 5.971 1.00 0.00 C ATOM 322 C PHE A 19 3.203 -10.912 5.104 1.00 0.00 C ATOM 323 O PHE A 19 4.344 -10.690 4.698 1.00 0.00 O ATOM 324 CB PHE A 19 2.893 -10.051 7.433 1.00 0.00 C ATOM 325 CG PHE A 19 2.165 -11.149 8.154 1.00 0.00 C ATOM 326 CD1 PHE A 19 2.565 -12.469 8.019 1.00 0.00 C ATOM 327 CD2 PHE A 19 1.081 -10.862 8.967 1.00 0.00 C ATOM 328 CE1 PHE A 19 1.897 -13.482 8.681 1.00 0.00 C ATOM 329 CE2 PHE A 19 0.410 -11.870 9.633 1.00 0.00 C ATOM 330 CZ PHE A 19 0.817 -13.182 9.489 1.00 0.00 C ATOM 0 H PHE A 19 0.524 -10.082 6.733 1.00 0.00 H new ATOM 0 HA PHE A 19 2.732 -8.894 5.628 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.964 -10.249 7.472 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.724 -9.109 7.955 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.409 -12.709 7.389 1.00 0.00 H new ATOM 0 HD2 PHE A 19 0.756 -9.838 9.082 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.219 -14.507 8.567 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -0.432 -11.632 10.266 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.292 -13.971 10.007 1.00 0.00 H new ATOM 340 N SER A 20 2.541 -12.030 4.824 1.00 0.00 N ATOM 341 CA SER A 20 3.132 -13.085 4.009 1.00 0.00 C ATOM 342 C SER A 20 3.738 -12.510 2.732 1.00 0.00 C ATOM 343 O SER A 20 4.666 -13.082 2.159 1.00 0.00 O ATOM 344 CB SER A 20 2.078 -14.137 3.657 1.00 0.00 C ATOM 345 OG SER A 20 1.877 -15.037 4.733 1.00 0.00 O ATOM 0 H SER A 20 1.595 -12.229 5.150 1.00 0.00 H new ATOM 0 HA SER A 20 3.927 -13.556 4.588 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.137 -13.645 3.409 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.392 -14.689 2.771 1.00 0.00 H new ATOM 0 HG SER A 20 1.198 -15.698 4.484 1.00 0.00 H new ATOM 351 N LEU A 21 3.207 -11.375 2.292 1.00 0.00 N ATOM 352 CA LEU A 21 3.694 -10.720 1.083 1.00 0.00 C ATOM 353 C LEU A 21 4.926 -9.872 1.382 1.00 0.00 C ATOM 354 O LEU A 21 5.368 -9.780 2.528 1.00 0.00 O ATOM 355 CB LEU A 21 2.596 -9.847 0.473 1.00 0.00 C ATOM 356 CG LEU A 21 1.197 -10.463 0.430 1.00 0.00 C ATOM 357 CD1 LEU A 21 0.183 -9.447 -0.074 1.00 0.00 C ATOM 358 CD2 LEU A 21 1.189 -11.707 -0.446 1.00 0.00 C ATOM 0 H LEU A 21 2.439 -10.889 2.754 1.00 0.00 H new ATOM 0 HA LEU A 21 3.973 -11.494 0.368 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.544 -8.916 1.037 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.889 -9.588 -0.544 1.00 0.00 H new ATOM 0 HG LEU A 21 0.917 -10.754 1.442 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.807 -9.902 -0.098 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.170 -8.585 0.593 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.459 -9.125 -1.078 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.186 -12.132 -0.465 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.489 -11.440 -1.459 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.886 -12.441 -0.042 1.00 0.00 H new ATOM 370 N THR A 22 5.477 -9.250 0.344 1.00 0.00 N ATOM 371 CA THR A 22 6.657 -8.408 0.495 1.00 0.00 C ATOM 372 C THR A 22 6.383 -6.986 0.019 1.00 0.00 C ATOM 373 O THR A 22 5.408 -6.736 -0.689 1.00 0.00 O ATOM 374 CB THR A 22 7.857 -8.977 -0.286 1.00 0.00 C ATOM 375 OG1 THR A 22 9.078 -8.434 0.229 1.00 0.00 O ATOM 376 CG2 THR A 22 7.738 -8.656 -1.768 1.00 0.00 C ATOM 0 H THR A 22 5.124 -9.314 -0.611 1.00 0.00 H new ATOM 0 HA THR A 22 6.899 -8.392 1.558 1.00 0.00 H new ATOM 0 HB THR A 22 7.862 -10.060 -0.164 1.00 0.00 H new ATOM 0 HG1 THR A 22 9.836 -8.802 -0.271 1.00 0.00 H new ATOM 0 HG21 THR A 22 8.596 -9.067 -2.299 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.822 -9.095 -2.163 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.711 -7.575 -1.905 1.00 0.00 H new ATOM 384 N ASN A 23 7.249 -6.058 0.411 1.00 0.00 N ATOM 385 CA ASN A 23 7.099 -4.660 0.023 1.00 0.00 C ATOM 386 C ASN A 23 6.632 -4.544 -1.424 1.00 0.00 C ATOM 387 O ASN A 23 5.645 -3.871 -1.716 1.00 0.00 O ATOM 388 CB ASN A 23 8.423 -3.914 0.205 1.00 0.00 C ATOM 389 CG ASN A 23 9.373 -4.132 -0.957 1.00 0.00 C ATOM 390 OD1 ASN A 23 9.510 -3.276 -1.830 1.00 0.00 O ATOM 391 ND2 ASN A 23 10.035 -5.283 -0.971 1.00 0.00 N ATOM 0 H ASN A 23 8.062 -6.248 0.997 1.00 0.00 H new ATOM 0 HA ASN A 23 6.344 -4.209 0.667 1.00 0.00 H new ATOM 0 HB2 ASN A 23 8.224 -2.848 0.313 1.00 0.00 H new ATOM 0 HB3 ASN A 23 8.900 -4.245 1.128 1.00 0.00 H new ATOM 0 HD21 ASN A 23 10.689 -5.486 -1.727 1.00 0.00 H new ATOM 0 HD22 ASN A 23 9.890 -5.964 -0.226 1.00 0.00 H new ATOM 398 N ASN A 24 7.349 -5.206 -2.327 1.00 0.00 N ATOM 399 CA ASN A 24 7.008 -5.178 -3.744 1.00 0.00 C ATOM 400 C ASN A 24 5.534 -5.509 -3.956 1.00 0.00 C ATOM 401 O ASN A 24 4.804 -4.757 -4.602 1.00 0.00 O ATOM 402 CB ASN A 24 7.881 -6.167 -4.520 1.00 0.00 C ATOM 403 CG ASN A 24 7.803 -5.953 -6.020 1.00 0.00 C ATOM 404 OD1 ASN A 24 6.623 -6.171 -6.588 1.00 0.00 O flip ATOM 405 ND2 ASN A 24 8.793 -5.595 -6.659 1.00 0.00 N flip ATOM 0 H ASN A 24 8.170 -5.768 -2.102 1.00 0.00 H new ATOM 0 HA ASN A 24 7.193 -4.170 -4.116 1.00 0.00 H new ATOM 0 HB2 ASN A 24 8.916 -6.067 -4.195 1.00 0.00 H new ATOM 0 HB3 ASN A 24 7.570 -7.185 -4.284 1.00 0.00 H new ATOM 0 HD21 ASN A 24 9.680 -5.439 -6.180 1.00 0.00 H new ATOM 0 HD22 ASN A 24 8.726 -5.454 -7.667 1.00 0.00 H new ATOM 412 N ASP A 25 5.102 -6.639 -3.406 1.00 0.00 N ATOM 413 CA ASP A 25 3.715 -7.070 -3.533 1.00 0.00 C ATOM 414 C ASP A 25 2.759 -5.924 -3.215 1.00 0.00 C ATOM 415 O ASP A 25 2.009 -5.469 -4.079 1.00 0.00 O ATOM 416 CB ASP A 25 3.439 -8.253 -2.605 1.00 0.00 C ATOM 417 CG ASP A 25 4.109 -9.528 -3.077 1.00 0.00 C ATOM 418 OD1 ASP A 25 3.965 -9.867 -4.270 1.00 0.00 O ATOM 419 OD2 ASP A 25 4.778 -10.188 -2.254 1.00 0.00 O ATOM 0 H ASP A 25 5.693 -7.273 -2.868 1.00 0.00 H new ATOM 0 HA ASP A 25 3.550 -7.382 -4.564 1.00 0.00 H new ATOM 0 HB2 ASP A 25 3.789 -8.013 -1.601 1.00 0.00 H new ATOM 0 HB3 ASP A 25 2.363 -8.415 -2.538 1.00 0.00 H new ATOM 424 N LEU A 26 2.790 -5.464 -1.969 1.00 0.00 N ATOM 425 CA LEU A 26 1.926 -4.371 -1.535 1.00 0.00 C ATOM 426 C LEU A 26 1.964 -3.218 -2.532 1.00 0.00 C ATOM 427 O LEU A 26 0.925 -2.755 -3.002 1.00 0.00 O ATOM 428 CB LEU A 26 2.350 -3.878 -0.151 1.00 0.00 C ATOM 429 CG LEU A 26 2.168 -4.870 0.999 1.00 0.00 C ATOM 430 CD1 LEU A 26 2.762 -4.312 2.284 1.00 0.00 C ATOM 431 CD2 LEU A 26 0.695 -5.201 1.191 1.00 0.00 C ATOM 0 H LEU A 26 3.404 -5.831 -1.241 1.00 0.00 H new ATOM 0 HA LEU A 26 0.904 -4.748 -1.482 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.401 -3.592 -0.195 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.784 -2.976 0.081 1.00 0.00 H new ATOM 0 HG LEU A 26 2.696 -5.789 0.747 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.623 -5.031 3.091 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.827 -4.127 2.142 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.262 -3.378 2.540 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.585 -5.908 2.013 1.00 0.00 H new ATOM 0 HD22 LEU A 26 0.144 -4.289 1.421 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.299 -5.643 0.277 1.00 0.00 H new ATOM 443 N TYR A 27 3.169 -2.759 -2.852 1.00 0.00 N ATOM 444 CA TYR A 27 3.343 -1.660 -3.794 1.00 0.00 C ATOM 445 C TYR A 27 2.396 -1.803 -4.981 1.00 0.00 C ATOM 446 O TYR A 27 1.604 -0.906 -5.270 1.00 0.00 O ATOM 447 CB TYR A 27 4.791 -1.606 -4.285 1.00 0.00 C ATOM 448 CG TYR A 27 5.069 -0.453 -5.223 1.00 0.00 C ATOM 449 CD1 TYR A 27 4.701 -0.516 -6.561 1.00 0.00 C ATOM 450 CD2 TYR A 27 5.702 0.698 -4.772 1.00 0.00 C ATOM 451 CE1 TYR A 27 4.954 0.534 -7.422 1.00 0.00 C ATOM 452 CE2 TYR A 27 5.958 1.754 -5.625 1.00 0.00 C ATOM 453 CZ TYR A 27 5.582 1.668 -6.949 1.00 0.00 C ATOM 454 OH TYR A 27 5.836 2.717 -7.803 1.00 0.00 O ATOM 0 H TYR A 27 4.040 -3.131 -2.473 1.00 0.00 H new ATOM 0 HA TYR A 27 3.107 -0.731 -3.276 1.00 0.00 H new ATOM 0 HB2 TYR A 27 5.455 -1.531 -3.424 1.00 0.00 H new ATOM 0 HB3 TYR A 27 5.029 -2.541 -4.792 1.00 0.00 H new ATOM 0 HD1 TYR A 27 4.208 -1.402 -6.935 1.00 0.00 H new ATOM 0 HD2 TYR A 27 5.999 0.769 -3.736 1.00 0.00 H new ATOM 0 HE1 TYR A 27 4.662 0.468 -8.460 1.00 0.00 H new ATOM 0 HE2 TYR A 27 6.450 2.642 -5.257 1.00 0.00 H new ATOM 0 HH TYR A 27 5.277 3.483 -7.555 1.00 0.00 H new ATOM 464 N ARG A 28 2.484 -2.940 -5.665 1.00 0.00 N ATOM 465 CA ARG A 28 1.636 -3.202 -6.821 1.00 0.00 C ATOM 466 C ARG A 28 0.166 -3.269 -6.414 1.00 0.00 C ATOM 467 O ARG A 28 -0.678 -2.577 -6.984 1.00 0.00 O ATOM 468 CB ARG A 28 2.049 -4.511 -7.497 1.00 0.00 C ATOM 469 CG ARG A 28 3.272 -4.377 -8.388 1.00 0.00 C ATOM 470 CD ARG A 28 3.818 -5.737 -8.795 1.00 0.00 C ATOM 471 NE ARG A 28 3.206 -6.225 -10.028 1.00 0.00 N ATOM 472 CZ ARG A 28 3.617 -7.312 -10.671 1.00 0.00 C ATOM 473 NH1 ARG A 28 4.634 -8.020 -10.201 1.00 0.00 N ATOM 474 NH2 ARG A 28 3.008 -7.693 -11.787 1.00 0.00 N ATOM 0 H ARG A 28 3.133 -3.693 -5.438 1.00 0.00 H new ATOM 0 HA ARG A 28 1.763 -2.381 -7.526 1.00 0.00 H new ATOM 0 HB2 ARG A 28 2.249 -5.259 -6.730 1.00 0.00 H new ATOM 0 HB3 ARG A 28 1.215 -4.881 -8.093 1.00 0.00 H new ATOM 0 HG2 ARG A 28 3.013 -3.806 -9.280 1.00 0.00 H new ATOM 0 HG3 ARG A 28 4.045 -3.815 -7.864 1.00 0.00 H new ATOM 0 HD2 ARG A 28 4.898 -5.669 -8.928 1.00 0.00 H new ATOM 0 HD3 ARG A 28 3.640 -6.454 -7.993 1.00 0.00 H new ATOM 0 HE ARG A 28 2.421 -5.703 -10.416 1.00 0.00 H new ATOM 0 HH11 ARG A 28 5.104 -7.731 -9.343 1.00 0.00 H new ATOM 0 HH12 ARG A 28 4.947 -8.854 -10.697 1.00 0.00 H new ATOM 0 HH21 ARG A 28 2.224 -7.151 -12.151 1.00 0.00 H new ATOM 0 HH22 ARG A 28 3.324 -8.528 -12.281 1.00 0.00 H new ATOM 488 N ILE A 29 -0.131 -4.107 -5.426 1.00 0.00 N ATOM 489 CA ILE A 29 -1.497 -4.263 -4.943 1.00 0.00 C ATOM 490 C ILE A 29 -2.189 -2.912 -4.803 1.00 0.00 C ATOM 491 O ILE A 29 -3.311 -2.725 -5.274 1.00 0.00 O ATOM 492 CB ILE A 29 -1.534 -4.989 -3.585 1.00 0.00 C ATOM 493 CG1 ILE A 29 -0.916 -6.383 -3.711 1.00 0.00 C ATOM 494 CG2 ILE A 29 -2.964 -5.082 -3.073 1.00 0.00 C ATOM 495 CD1 ILE A 29 -0.499 -6.981 -2.385 1.00 0.00 C ATOM 0 H ILE A 29 0.556 -4.688 -4.945 1.00 0.00 H new ATOM 0 HA ILE A 29 -2.026 -4.864 -5.682 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.948 -4.416 -2.867 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -1.634 -7.048 -4.191 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.046 -6.328 -4.365 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -2.974 -5.598 -2.113 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -3.373 -4.079 -2.951 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.571 -5.636 -3.789 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -0.069 -7.969 -2.550 1.00 0.00 H new ATOM 0 HD12 ILE A 29 0.243 -6.337 -1.913 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -1.370 -7.068 -1.735 1.00 0.00 H new ATOM 507 N PHE A 30 -1.511 -1.971 -4.154 1.00 0.00 N ATOM 508 CA PHE A 30 -2.060 -0.635 -3.952 1.00 0.00 C ATOM 509 C PHE A 30 -1.957 0.194 -5.229 1.00 0.00 C ATOM 510 O PHE A 30 -2.629 1.215 -5.375 1.00 0.00 O ATOM 511 CB PHE A 30 -1.328 0.074 -2.811 1.00 0.00 C ATOM 512 CG PHE A 30 -1.670 -0.467 -1.452 1.00 0.00 C ATOM 513 CD1 PHE A 30 -2.845 -0.092 -0.819 1.00 0.00 C ATOM 514 CD2 PHE A 30 -0.818 -1.349 -0.807 1.00 0.00 C ATOM 515 CE1 PHE A 30 -3.162 -0.587 0.432 1.00 0.00 C ATOM 516 CE2 PHE A 30 -1.131 -1.848 0.443 1.00 0.00 C ATOM 517 CZ PHE A 30 -2.305 -1.467 1.063 1.00 0.00 C ATOM 0 H PHE A 30 -0.581 -2.109 -3.759 1.00 0.00 H new ATOM 0 HA PHE A 30 -3.113 -0.739 -3.690 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.253 -0.015 -2.969 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.568 1.137 -2.841 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.520 0.594 -1.309 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.102 -1.650 -1.287 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -4.079 -0.286 0.916 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -0.458 -2.535 0.935 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.552 -1.857 2.039 1.00 0.00 H new ATOM 527 N SER A 31 -1.111 -0.254 -6.151 1.00 0.00 N ATOM 528 CA SER A 31 -0.916 0.448 -7.415 1.00 0.00 C ATOM 529 C SER A 31 -2.179 0.389 -8.269 1.00 0.00 C ATOM 530 O SER A 31 -2.418 1.261 -9.105 1.00 0.00 O ATOM 531 CB SER A 31 0.260 -0.158 -8.182 1.00 0.00 C ATOM 532 OG SER A 31 0.876 0.808 -9.016 1.00 0.00 O ATOM 0 H SER A 31 -0.550 -1.099 -6.047 1.00 0.00 H new ATOM 0 HA SER A 31 -0.697 1.492 -7.193 1.00 0.00 H new ATOM 0 HB2 SER A 31 0.991 -0.555 -7.478 1.00 0.00 H new ATOM 0 HB3 SER A 31 -0.089 -0.996 -8.786 1.00 0.00 H new ATOM 0 HG SER A 31 1.626 0.397 -9.495 1.00 0.00 H new ATOM 538 N LYS A 32 -2.985 -0.645 -8.052 1.00 0.00 N ATOM 539 CA LYS A 32 -4.225 -0.819 -8.800 1.00 0.00 C ATOM 540 C LYS A 32 -5.137 0.392 -8.630 1.00 0.00 C ATOM 541 O LYS A 32 -6.088 0.576 -9.391 1.00 0.00 O ATOM 542 CB LYS A 32 -4.949 -2.085 -8.338 1.00 0.00 C ATOM 543 CG LYS A 32 -5.846 -1.867 -7.131 1.00 0.00 C ATOM 544 CD LYS A 32 -6.650 -3.113 -6.801 1.00 0.00 C ATOM 545 CE LYS A 32 -5.866 -4.062 -5.908 1.00 0.00 C ATOM 546 NZ LYS A 32 -5.968 -3.683 -4.471 1.00 0.00 N ATOM 0 H LYS A 32 -2.802 -1.375 -7.364 1.00 0.00 H new ATOM 0 HA LYS A 32 -3.973 -0.917 -9.856 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -5.550 -2.471 -9.162 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.210 -2.849 -8.097 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -5.238 -1.587 -6.271 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -6.524 -1.036 -7.326 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -7.578 -2.828 -6.305 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -6.926 -3.624 -7.723 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -6.237 -5.078 -6.043 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -4.819 -4.063 -6.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -5.028 -3.417 -4.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -6.617 -2.877 -4.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -6.330 -4.490 -3.924 1.00 0.00 H new ATOM 560 N TYR A 33 -4.840 1.215 -7.631 1.00 0.00 N ATOM 561 CA TYR A 33 -5.634 2.408 -7.362 1.00 0.00 C ATOM 562 C TYR A 33 -4.868 3.670 -7.744 1.00 0.00 C ATOM 563 O TYR A 33 -5.395 4.547 -8.428 1.00 0.00 O ATOM 564 CB TYR A 33 -6.025 2.463 -5.884 1.00 0.00 C ATOM 565 CG TYR A 33 -6.715 1.210 -5.393 1.00 0.00 C ATOM 566 CD1 TYR A 33 -7.983 0.869 -5.846 1.00 0.00 C ATOM 567 CD2 TYR A 33 -6.098 0.368 -4.476 1.00 0.00 C ATOM 568 CE1 TYR A 33 -8.618 -0.274 -5.399 1.00 0.00 C ATOM 569 CE2 TYR A 33 -6.724 -0.778 -4.025 1.00 0.00 C ATOM 570 CZ TYR A 33 -7.984 -1.095 -4.489 1.00 0.00 C ATOM 571 OH TYR A 33 -8.612 -2.235 -4.043 1.00 0.00 O ATOM 0 H TYR A 33 -4.055 1.078 -6.994 1.00 0.00 H new ATOM 0 HA TYR A 33 -6.538 2.356 -7.969 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -5.130 2.633 -5.286 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -6.683 3.317 -5.722 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -8.481 1.508 -6.560 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -5.112 0.614 -4.110 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -9.605 -0.523 -5.760 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -6.230 -1.422 -3.313 1.00 0.00 H new ATOM 0 HH TYR A 33 -9.207 -2.576 -4.743 1.00 0.00 H new ATOM 581 N GLY A 34 -3.619 3.755 -7.297 1.00 0.00 N ATOM 582 CA GLY A 34 -2.798 4.912 -7.602 1.00 0.00 C ATOM 583 C GLY A 34 -1.315 4.605 -7.536 1.00 0.00 C ATOM 584 O GLY A 34 -0.885 3.740 -6.773 1.00 0.00 O ATOM 0 H GLY A 34 -3.161 3.043 -6.729 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.046 5.277 -8.599 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.031 5.714 -6.902 1.00 0.00 H new ATOM 588 N LYS A 35 -0.530 5.314 -8.340 1.00 0.00 N ATOM 589 CA LYS A 35 0.914 5.114 -8.372 1.00 0.00 C ATOM 590 C LYS A 35 1.512 5.241 -6.975 1.00 0.00 C ATOM 591 O LYS A 35 1.205 6.180 -6.240 1.00 0.00 O ATOM 592 CB LYS A 35 1.569 6.127 -9.313 1.00 0.00 C ATOM 593 CG LYS A 35 2.917 5.676 -9.850 1.00 0.00 C ATOM 594 CD LYS A 35 2.763 4.574 -10.886 1.00 0.00 C ATOM 595 CE LYS A 35 4.094 3.899 -11.183 1.00 0.00 C ATOM 596 NZ LYS A 35 3.911 2.591 -11.871 1.00 0.00 N ATOM 0 H LYS A 35 -0.870 6.033 -8.979 1.00 0.00 H new ATOM 0 HA LYS A 35 1.108 4.107 -8.741 1.00 0.00 H new ATOM 0 HB2 LYS A 35 0.899 6.318 -10.151 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.696 7.072 -8.785 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.435 6.525 -10.295 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.537 5.320 -9.027 1.00 0.00 H new ATOM 0 HD2 LYS A 35 2.050 3.832 -10.527 1.00 0.00 H new ATOM 0 HD3 LYS A 35 2.352 4.992 -11.805 1.00 0.00 H new ATOM 0 HE2 LYS A 35 4.703 4.555 -11.805 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.640 3.746 -10.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 4.841 2.163 -12.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 3.351 1.956 -11.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 3.413 2.739 -12.772 1.00 0.00 H new ATOM 610 N VAL A 36 2.368 4.290 -6.614 1.00 0.00 N ATOM 611 CA VAL A 36 3.011 4.297 -5.305 1.00 0.00 C ATOM 612 C VAL A 36 4.430 4.846 -5.393 1.00 0.00 C ATOM 613 O VAL A 36 5.138 4.612 -6.373 1.00 0.00 O ATOM 614 CB VAL A 36 3.055 2.884 -4.694 1.00 0.00 C ATOM 615 CG1 VAL A 36 3.678 2.922 -3.306 1.00 0.00 C ATOM 616 CG2 VAL A 36 1.660 2.281 -4.645 1.00 0.00 C ATOM 0 H VAL A 36 2.632 3.505 -7.209 1.00 0.00 H new ATOM 0 HA VAL A 36 2.414 4.944 -4.662 1.00 0.00 H new ATOM 0 HB VAL A 36 3.677 2.252 -5.328 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.701 1.915 -2.890 1.00 0.00 H new ATOM 0 HG12 VAL A 36 4.694 3.310 -3.374 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.086 3.569 -2.659 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.710 1.283 -4.210 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.013 2.910 -4.034 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.256 2.217 -5.655 1.00 0.00 H new ATOM 626 N VAL A 37 4.842 5.577 -4.362 1.00 0.00 N ATOM 627 CA VAL A 37 6.178 6.158 -4.322 1.00 0.00 C ATOM 628 C VAL A 37 7.076 5.405 -3.348 1.00 0.00 C ATOM 629 O VAL A 37 8.248 5.156 -3.631 1.00 0.00 O ATOM 630 CB VAL A 37 6.132 7.644 -3.917 1.00 0.00 C ATOM 631 CG1 VAL A 37 7.531 8.241 -3.918 1.00 0.00 C ATOM 632 CG2 VAL A 37 5.211 8.421 -4.845 1.00 0.00 C ATOM 0 H VAL A 37 4.269 5.781 -3.543 1.00 0.00 H new ATOM 0 HA VAL A 37 6.589 6.076 -5.328 1.00 0.00 H new ATOM 0 HB VAL A 37 5.733 7.715 -2.905 1.00 0.00 H new ATOM 0 HG11 VAL A 37 7.479 9.291 -3.630 1.00 0.00 H new ATOM 0 HG12 VAL A 37 8.158 7.701 -3.209 1.00 0.00 H new ATOM 0 HG13 VAL A 37 7.960 8.160 -4.917 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.191 9.468 -4.544 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.577 8.345 -5.869 1.00 0.00 H new ATOM 0 HG23 VAL A 37 4.204 8.008 -4.788 1.00 0.00 H new ATOM 642 N LYS A 38 6.519 5.043 -2.197 1.00 0.00 N ATOM 643 CA LYS A 38 7.267 4.315 -1.179 1.00 0.00 C ATOM 644 C LYS A 38 6.338 3.448 -0.336 1.00 0.00 C ATOM 645 O LYS A 38 5.169 3.782 -0.140 1.00 0.00 O ATOM 646 CB LYS A 38 8.026 5.293 -0.279 1.00 0.00 C ATOM 647 CG LYS A 38 9.219 5.944 -0.957 1.00 0.00 C ATOM 648 CD LYS A 38 9.874 6.980 -0.059 1.00 0.00 C ATOM 649 CE LYS A 38 11.085 7.612 -0.729 1.00 0.00 C ATOM 650 NZ LYS A 38 11.935 8.351 0.245 1.00 0.00 N ATOM 0 H LYS A 38 5.551 5.242 -1.946 1.00 0.00 H new ATOM 0 HA LYS A 38 7.982 3.665 -1.684 1.00 0.00 H new ATOM 0 HB2 LYS A 38 7.341 6.071 0.057 1.00 0.00 H new ATOM 0 HB3 LYS A 38 8.368 4.764 0.610 1.00 0.00 H new ATOM 0 HG2 LYS A 38 9.949 5.180 -1.224 1.00 0.00 H new ATOM 0 HG3 LYS A 38 8.898 6.417 -1.885 1.00 0.00 H new ATOM 0 HD2 LYS A 38 9.150 7.755 0.192 1.00 0.00 H new ATOM 0 HD3 LYS A 38 10.178 6.512 0.877 1.00 0.00 H new ATOM 0 HE2 LYS A 38 11.678 6.836 -1.213 1.00 0.00 H new ATOM 0 HE3 LYS A 38 10.752 8.294 -1.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 12.749 8.767 -0.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 11.377 9.108 0.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 12.274 7.695 0.978 1.00 0.00 H new ATOM 664 N VAL A 39 6.865 2.334 0.162 1.00 0.00 N ATOM 665 CA VAL A 39 6.083 1.420 0.986 1.00 0.00 C ATOM 666 C VAL A 39 6.629 1.359 2.408 1.00 0.00 C ATOM 667 O VAL A 39 7.820 1.128 2.619 1.00 0.00 O ATOM 668 CB VAL A 39 6.070 -0.001 0.392 1.00 0.00 C ATOM 669 CG1 VAL A 39 5.200 -0.923 1.232 1.00 0.00 C ATOM 670 CG2 VAL A 39 5.590 0.031 -1.052 1.00 0.00 C ATOM 0 H VAL A 39 7.830 2.043 0.009 1.00 0.00 H new ATOM 0 HA VAL A 39 5.064 1.806 1.007 1.00 0.00 H new ATOM 0 HB VAL A 39 7.088 -0.392 0.404 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.203 -1.922 0.797 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.593 -0.968 2.248 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.180 -0.540 1.254 1.00 0.00 H new ATOM 0 HG21 VAL A 39 5.587 -0.981 -1.457 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.581 0.441 -1.091 1.00 0.00 H new ATOM 0 HG23 VAL A 39 6.258 0.656 -1.644 1.00 0.00 H new ATOM 680 N THR A 40 5.750 1.567 3.384 1.00 0.00 N ATOM 681 CA THR A 40 6.143 1.537 4.787 1.00 0.00 C ATOM 682 C THR A 40 5.371 0.467 5.551 1.00 0.00 C ATOM 683 O THR A 40 4.197 0.218 5.273 1.00 0.00 O ATOM 684 CB THR A 40 5.915 2.901 5.464 1.00 0.00 C ATOM 685 OG1 THR A 40 6.633 3.922 4.763 1.00 0.00 O ATOM 686 CG2 THR A 40 6.364 2.866 6.917 1.00 0.00 C ATOM 0 H THR A 40 4.760 1.758 3.228 1.00 0.00 H new ATOM 0 HA THR A 40 7.207 1.301 4.812 1.00 0.00 H new ATOM 0 HB THR A 40 4.848 3.122 5.435 1.00 0.00 H new ATOM 0 HG1 THR A 40 6.481 4.787 5.199 1.00 0.00 H new ATOM 0 HG21 THR A 40 6.193 3.841 7.374 1.00 0.00 H new ATOM 0 HG22 THR A 40 5.795 2.108 7.455 1.00 0.00 H new ATOM 0 HG23 THR A 40 7.426 2.624 6.964 1.00 0.00 H new ATOM 694 N ILE A 41 6.036 -0.162 6.514 1.00 0.00 N ATOM 695 CA ILE A 41 5.411 -1.203 7.319 1.00 0.00 C ATOM 696 C ILE A 41 5.673 -0.981 8.805 1.00 0.00 C ATOM 697 O ILE A 41 6.801 -0.704 9.212 1.00 0.00 O ATOM 698 CB ILE A 41 5.919 -2.602 6.923 1.00 0.00 C ATOM 699 CG1 ILE A 41 5.451 -2.958 5.510 1.00 0.00 C ATOM 700 CG2 ILE A 41 5.439 -3.643 7.924 1.00 0.00 C ATOM 701 CD1 ILE A 41 6.044 -4.245 4.983 1.00 0.00 C ATOM 0 H ILE A 41 7.008 0.032 6.756 1.00 0.00 H new ATOM 0 HA ILE A 41 4.339 -1.147 7.129 1.00 0.00 H new ATOM 0 HB ILE A 41 7.009 -2.593 6.933 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.364 -3.040 5.506 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.712 -2.144 4.834 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.806 -4.626 7.630 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.817 -3.396 8.916 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.349 -3.654 7.944 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.668 -4.434 3.977 1.00 0.00 H new ATOM 0 HD12 ILE A 41 7.130 -4.160 4.954 1.00 0.00 H new ATOM 0 HD13 ILE A 41 5.762 -5.070 5.637 1.00 0.00 H new ATOM 713 N MET A 42 4.624 -1.107 9.610 1.00 0.00 N ATOM 714 CA MET A 42 4.741 -0.924 11.052 1.00 0.00 C ATOM 715 C MET A 42 5.299 -2.178 11.717 1.00 0.00 C ATOM 716 O MET A 42 5.329 -3.252 11.114 1.00 0.00 O ATOM 717 CB MET A 42 3.380 -0.575 11.656 1.00 0.00 C ATOM 718 CG MET A 42 2.782 0.710 11.106 1.00 0.00 C ATOM 719 SD MET A 42 3.615 2.184 11.726 1.00 0.00 S ATOM 720 CE MET A 42 3.793 3.132 10.216 1.00 0.00 C ATOM 0 H MET A 42 3.683 -1.335 9.289 1.00 0.00 H new ATOM 0 HA MET A 42 5.432 -0.101 11.233 1.00 0.00 H new ATOM 0 HB2 MET A 42 2.688 -1.397 11.471 1.00 0.00 H new ATOM 0 HB3 MET A 42 3.484 -0.484 12.737 1.00 0.00 H new ATOM 0 HG2 MET A 42 2.839 0.696 10.018 1.00 0.00 H new ATOM 0 HG3 MET A 42 1.725 0.756 11.370 1.00 0.00 H new ATOM 0 HE1 MET A 42 4.777 3.600 10.194 1.00 0.00 H new ATOM 0 HE2 MET A 42 3.687 2.470 9.356 1.00 0.00 H new ATOM 0 HE3 MET A 42 3.023 3.903 10.177 1.00 0.00 H new ATOM 730 N LYS A 43 5.740 -2.037 12.962 1.00 0.00 N ATOM 731 CA LYS A 43 6.296 -3.159 13.709 1.00 0.00 C ATOM 732 C LYS A 43 6.114 -2.956 15.210 1.00 0.00 C ATOM 733 O LYS A 43 6.031 -1.824 15.688 1.00 0.00 O ATOM 734 CB LYS A 43 7.781 -3.330 13.383 1.00 0.00 C ATOM 735 CG LYS A 43 8.047 -4.315 12.258 1.00 0.00 C ATOM 736 CD LYS A 43 9.293 -3.942 11.473 1.00 0.00 C ATOM 737 CE LYS A 43 9.008 -2.838 10.466 1.00 0.00 C ATOM 738 NZ LYS A 43 9.921 -2.909 9.292 1.00 0.00 N ATOM 0 H LYS A 43 5.723 -1.156 13.476 1.00 0.00 H new ATOM 0 HA LYS A 43 5.760 -4.061 13.414 1.00 0.00 H new ATOM 0 HB2 LYS A 43 8.199 -2.360 13.112 1.00 0.00 H new ATOM 0 HB3 LYS A 43 8.305 -3.664 14.279 1.00 0.00 H new ATOM 0 HG2 LYS A 43 8.162 -5.317 12.671 1.00 0.00 H new ATOM 0 HG3 LYS A 43 7.188 -4.343 11.587 1.00 0.00 H new ATOM 0 HD2 LYS A 43 10.073 -3.616 12.161 1.00 0.00 H new ATOM 0 HD3 LYS A 43 9.673 -4.821 10.953 1.00 0.00 H new ATOM 0 HE2 LYS A 43 7.975 -2.913 10.127 1.00 0.00 H new ATOM 0 HE3 LYS A 43 9.115 -1.868 10.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 9.695 -2.140 8.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 10.906 -2.812 9.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 9.801 -3.825 8.814 1.00 0.00 H new ATOM 752 N ASP A 44 6.055 -4.059 15.949 1.00 0.00 N ATOM 753 CA ASP A 44 5.886 -4.001 17.396 1.00 0.00 C ATOM 754 C ASP A 44 7.223 -3.761 18.090 1.00 0.00 C ATOM 755 O ASP A 44 8.242 -3.535 17.437 1.00 0.00 O ATOM 756 CB ASP A 44 5.257 -5.298 17.909 1.00 0.00 C ATOM 757 CG ASP A 44 4.460 -5.091 19.182 1.00 0.00 C ATOM 758 OD1 ASP A 44 3.393 -4.446 19.116 1.00 0.00 O ATOM 759 OD2 ASP A 44 4.905 -5.572 20.245 1.00 0.00 O ATOM 0 H ASP A 44 6.122 -5.003 15.570 1.00 0.00 H new ATOM 0 HA ASP A 44 5.222 -3.168 17.627 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.606 -5.712 17.139 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.042 -6.032 18.091 1.00 0.00 H new ATOM 764 N LYS A 45 7.211 -3.809 19.418 1.00 0.00 N ATOM 765 CA LYS A 45 8.422 -3.596 20.202 1.00 0.00 C ATOM 766 C LYS A 45 8.820 -4.869 20.943 1.00 0.00 C ATOM 767 O LYS A 45 10.002 -5.111 21.187 1.00 0.00 O ATOM 768 CB LYS A 45 8.213 -2.456 21.201 1.00 0.00 C ATOM 769 CG LYS A 45 9.508 -1.822 21.679 1.00 0.00 C ATOM 770 CD LYS A 45 10.035 -2.505 22.930 1.00 0.00 C ATOM 771 CE LYS A 45 11.174 -1.717 23.558 1.00 0.00 C ATOM 772 NZ LYS A 45 10.678 -0.710 24.536 1.00 0.00 N ATOM 0 H LYS A 45 6.376 -3.994 19.974 1.00 0.00 H new ATOM 0 HA LYS A 45 9.227 -3.328 19.517 1.00 0.00 H new ATOM 0 HB2 LYS A 45 7.591 -1.689 20.739 1.00 0.00 H new ATOM 0 HB3 LYS A 45 7.664 -2.835 22.063 1.00 0.00 H new ATOM 0 HG2 LYS A 45 10.256 -1.881 20.889 1.00 0.00 H new ATOM 0 HG3 LYS A 45 9.343 -0.764 21.883 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.227 -2.617 23.653 1.00 0.00 H new ATOM 0 HD3 LYS A 45 10.380 -3.508 22.680 1.00 0.00 H new ATOM 0 HE2 LYS A 45 11.858 -2.403 24.058 1.00 0.00 H new ATOM 0 HE3 LYS A 45 11.742 -1.214 22.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 11.484 -0.194 24.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 10.045 -0.040 24.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 10.157 -1.192 25.296 1.00 0.00 H new ATOM 786 N ASP A 46 7.828 -5.678 21.296 1.00 0.00 N ATOM 787 CA ASP A 46 8.076 -6.927 22.007 1.00 0.00 C ATOM 788 C ASP A 46 8.070 -8.110 21.044 1.00 0.00 C ATOM 789 O ASP A 46 8.948 -8.972 21.097 1.00 0.00 O ATOM 790 CB ASP A 46 7.023 -7.135 23.097 1.00 0.00 C ATOM 791 CG ASP A 46 7.354 -6.384 24.372 1.00 0.00 C ATOM 792 OD1 ASP A 46 8.539 -6.376 24.765 1.00 0.00 O ATOM 793 OD2 ASP A 46 6.427 -5.806 24.978 1.00 0.00 O ATOM 0 H ASP A 46 6.844 -5.492 21.102 1.00 0.00 H new ATOM 0 HA ASP A 46 9.060 -6.864 22.471 1.00 0.00 H new ATOM 0 HB2 ASP A 46 6.052 -6.807 22.727 1.00 0.00 H new ATOM 0 HB3 ASP A 46 6.937 -8.199 23.317 1.00 0.00 H new ATOM 798 N THR A 47 7.074 -8.146 20.164 1.00 0.00 N ATOM 799 CA THR A 47 6.953 -9.224 19.191 1.00 0.00 C ATOM 800 C THR A 47 7.840 -8.972 17.978 1.00 0.00 C ATOM 801 O THR A 47 8.311 -9.911 17.336 1.00 0.00 O ATOM 802 CB THR A 47 5.496 -9.394 18.720 1.00 0.00 C ATOM 803 OG1 THR A 47 5.075 -8.231 17.999 1.00 0.00 O ATOM 804 CG2 THR A 47 4.569 -9.626 19.904 1.00 0.00 C ATOM 0 H THR A 47 6.340 -7.441 20.105 1.00 0.00 H new ATOM 0 HA THR A 47 7.276 -10.138 19.690 1.00 0.00 H new ATOM 0 HB THR A 47 5.448 -10.264 18.065 1.00 0.00 H new ATOM 0 HG1 THR A 47 4.149 -8.348 17.702 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.546 -9.743 19.547 1.00 0.00 H new ATOM 0 HG22 THR A 47 4.874 -10.528 20.434 1.00 0.00 H new ATOM 0 HG23 THR A 47 4.622 -8.773 20.580 1.00 0.00 H new ATOM 812 N ARG A 48 8.066 -7.699 17.669 1.00 0.00 N ATOM 813 CA ARG A 48 8.897 -7.324 16.532 1.00 0.00 C ATOM 814 C ARG A 48 8.362 -7.938 15.241 1.00 0.00 C ATOM 815 O ARG A 48 9.100 -8.575 14.491 1.00 0.00 O ATOM 816 CB ARG A 48 10.342 -7.771 16.760 1.00 0.00 C ATOM 817 CG ARG A 48 11.370 -6.881 16.080 1.00 0.00 C ATOM 818 CD ARG A 48 11.671 -5.643 16.910 1.00 0.00 C ATOM 819 NE ARG A 48 12.687 -4.799 16.285 1.00 0.00 N ATOM 820 CZ ARG A 48 13.138 -3.672 16.824 1.00 0.00 C ATOM 821 NH1 ARG A 48 12.665 -3.255 17.990 1.00 0.00 N ATOM 822 NH2 ARG A 48 14.063 -2.959 16.195 1.00 0.00 N ATOM 0 H ARG A 48 7.685 -6.910 18.191 1.00 0.00 H new ATOM 0 HA ARG A 48 8.870 -6.239 16.437 1.00 0.00 H new ATOM 0 HB2 ARG A 48 10.543 -7.790 17.831 1.00 0.00 H new ATOM 0 HB3 ARG A 48 10.459 -8.791 16.395 1.00 0.00 H new ATOM 0 HG2 ARG A 48 12.289 -7.444 15.917 1.00 0.00 H new ATOM 0 HG3 ARG A 48 11.002 -6.582 15.099 1.00 0.00 H new ATOM 0 HD2 ARG A 48 10.756 -5.067 17.047 1.00 0.00 H new ATOM 0 HD3 ARG A 48 12.010 -5.945 17.901 1.00 0.00 H new ATOM 0 HE ARG A 48 13.071 -5.091 15.386 1.00 0.00 H new ATOM 0 HH11 ARG A 48 11.953 -3.800 18.476 1.00 0.00 H new ATOM 0 HH12 ARG A 48 13.013 -2.389 18.401 1.00 0.00 H new ATOM 0 HH21 ARG A 48 14.428 -3.276 15.297 1.00 0.00 H new ATOM 0 HH22 ARG A 48 14.409 -2.094 16.609 1.00 0.00 H new ATOM 836 N LYS A 49 7.072 -7.741 14.989 1.00 0.00 N ATOM 837 CA LYS A 49 6.436 -8.274 13.790 1.00 0.00 C ATOM 838 C LYS A 49 5.580 -7.210 13.110 1.00 0.00 C ATOM 839 O LYS A 49 5.075 -6.296 13.763 1.00 0.00 O ATOM 840 CB LYS A 49 5.575 -9.489 14.141 1.00 0.00 C ATOM 841 CG LYS A 49 6.331 -10.574 14.889 1.00 0.00 C ATOM 842 CD LYS A 49 7.402 -11.210 14.018 1.00 0.00 C ATOM 843 CE LYS A 49 6.793 -12.113 12.957 1.00 0.00 C ATOM 844 NZ LYS A 49 6.126 -13.302 13.556 1.00 0.00 N ATOM 0 H LYS A 49 6.446 -7.216 15.600 1.00 0.00 H new ATOM 0 HA LYS A 49 7.221 -8.581 13.099 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.730 -9.162 14.747 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.165 -9.910 13.223 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.791 -10.149 15.781 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.632 -11.340 15.225 1.00 0.00 H new ATOM 0 HD2 LYS A 49 7.993 -10.430 13.538 1.00 0.00 H new ATOM 0 HD3 LYS A 49 8.084 -11.788 14.642 1.00 0.00 H new ATOM 0 HE2 LYS A 49 6.069 -11.547 12.371 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.572 -12.442 12.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 5.981 -14.025 12.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 6.724 -13.692 14.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 5.206 -13.021 13.952 1.00 0.00 H new ATOM 858 N SER A 50 5.418 -7.337 11.797 1.00 0.00 N ATOM 859 CA SER A 50 4.624 -6.385 11.029 1.00 0.00 C ATOM 860 C SER A 50 3.225 -6.242 11.621 1.00 0.00 C ATOM 861 O SER A 50 2.681 -5.141 11.699 1.00 0.00 O ATOM 862 CB SER A 50 4.530 -6.829 9.568 1.00 0.00 C ATOM 863 OG SER A 50 3.335 -6.358 8.969 1.00 0.00 O ATOM 0 H SER A 50 5.826 -8.090 11.243 1.00 0.00 H new ATOM 0 HA SER A 50 5.119 -5.415 11.075 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.391 -6.454 9.014 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.565 -7.917 9.512 1.00 0.00 H new ATOM 0 HG SER A 50 3.299 -6.653 8.035 1.00 0.00 H new ATOM 869 N LYS A 51 2.648 -7.365 12.036 1.00 0.00 N ATOM 870 CA LYS A 51 1.314 -7.368 12.623 1.00 0.00 C ATOM 871 C LYS A 51 0.277 -6.877 11.617 1.00 0.00 C ATOM 872 O LYS A 51 -0.781 -6.376 11.996 1.00 0.00 O ATOM 873 CB LYS A 51 1.282 -6.488 13.874 1.00 0.00 C ATOM 874 CG LYS A 51 1.985 -7.106 15.070 1.00 0.00 C ATOM 875 CD LYS A 51 1.623 -6.391 16.361 1.00 0.00 C ATOM 876 CE LYS A 51 0.340 -6.943 16.963 1.00 0.00 C ATOM 877 NZ LYS A 51 0.263 -6.694 18.430 1.00 0.00 N ATOM 0 H LYS A 51 3.084 -8.285 11.976 1.00 0.00 H new ATOM 0 HA LYS A 51 1.069 -8.393 12.902 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.747 -5.529 13.645 1.00 0.00 H new ATOM 0 HB3 LYS A 51 0.244 -6.284 14.138 1.00 0.00 H new ATOM 0 HG2 LYS A 51 1.714 -8.159 15.148 1.00 0.00 H new ATOM 0 HG3 LYS A 51 3.064 -7.065 14.920 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.437 -6.497 17.078 1.00 0.00 H new ATOM 0 HD3 LYS A 51 1.506 -5.325 16.167 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -0.518 -6.485 16.471 1.00 0.00 H new ATOM 0 HE3 LYS A 51 0.282 -8.015 16.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -0.626 -7.085 18.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 1.068 -7.152 18.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 0.293 -5.670 18.610 1.00 0.00 H new ATOM 891 N GLY A 52 0.587 -7.026 10.333 1.00 0.00 N ATOM 892 CA GLY A 52 -0.329 -6.595 9.293 1.00 0.00 C ATOM 893 C GLY A 52 -0.327 -5.091 9.107 1.00 0.00 C ATOM 894 O GLY A 52 -0.414 -4.597 7.982 1.00 0.00 O ATOM 0 H GLY A 52 1.457 -7.438 9.994 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.058 -7.075 8.353 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.337 -6.926 9.541 1.00 0.00 H new ATOM 898 N VAL A 53 -0.230 -4.359 10.212 1.00 0.00 N ATOM 899 CA VAL A 53 -0.218 -2.902 10.166 1.00 0.00 C ATOM 900 C VAL A 53 0.899 -2.390 9.263 1.00 0.00 C ATOM 901 O VAL A 53 2.079 -2.508 9.591 1.00 0.00 O ATOM 902 CB VAL A 53 -0.045 -2.297 11.572 1.00 0.00 C ATOM 903 CG1 VAL A 53 -0.451 -0.831 11.576 1.00 0.00 C ATOM 904 CG2 VAL A 53 -0.851 -3.085 12.593 1.00 0.00 C ATOM 0 H VAL A 53 -0.159 -4.752 11.151 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.181 -2.590 9.761 1.00 0.00 H new ATOM 0 HB VAL A 53 1.008 -2.358 11.848 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -0.322 -0.421 12.577 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.174 -0.279 10.874 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.496 -0.742 11.279 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -0.717 -2.644 13.581 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -1.907 -3.057 12.323 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -0.507 -4.119 12.608 1.00 0.00 H new ATOM 914 N ALA A 54 0.518 -1.819 8.125 1.00 0.00 N ATOM 915 CA ALA A 54 1.487 -1.286 7.176 1.00 0.00 C ATOM 916 C ALA A 54 1.006 0.034 6.583 1.00 0.00 C ATOM 917 O ALA A 54 -0.188 0.222 6.348 1.00 0.00 O ATOM 918 CB ALA A 54 1.753 -2.297 6.070 1.00 0.00 C ATOM 0 H ALA A 54 -0.455 -1.714 7.838 1.00 0.00 H new ATOM 0 HA ALA A 54 2.417 -1.096 7.712 1.00 0.00 H new ATOM 0 HB1 ALA A 54 2.479 -1.886 5.368 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.148 -3.216 6.504 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.823 -2.515 5.545 1.00 0.00 H new ATOM 924 N PHE A 55 1.942 0.946 6.345 1.00 0.00 N ATOM 925 CA PHE A 55 1.614 2.250 5.781 1.00 0.00 C ATOM 926 C PHE A 55 1.996 2.317 4.306 1.00 0.00 C ATOM 927 O PHE A 55 3.075 1.873 3.913 1.00 0.00 O ATOM 928 CB PHE A 55 2.329 3.359 6.556 1.00 0.00 C ATOM 929 CG PHE A 55 1.659 3.712 7.853 1.00 0.00 C ATOM 930 CD1 PHE A 55 1.355 2.728 8.781 1.00 0.00 C ATOM 931 CD2 PHE A 55 1.334 5.026 8.146 1.00 0.00 C ATOM 932 CE1 PHE A 55 0.739 3.049 9.976 1.00 0.00 C ATOM 933 CE2 PHE A 55 0.719 5.353 9.340 1.00 0.00 C ATOM 934 CZ PHE A 55 0.420 4.363 10.255 1.00 0.00 C ATOM 0 H PHE A 55 2.935 0.806 6.534 1.00 0.00 H new ATOM 0 HA PHE A 55 0.537 2.394 5.865 1.00 0.00 H new ATOM 0 HB2 PHE A 55 3.354 3.047 6.759 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.385 4.250 5.931 1.00 0.00 H new ATOM 0 HD1 PHE A 55 1.602 1.699 8.568 1.00 0.00 H new ATOM 0 HD2 PHE A 55 1.564 5.804 7.433 1.00 0.00 H new ATOM 0 HE1 PHE A 55 0.508 2.273 10.691 1.00 0.00 H new ATOM 0 HE2 PHE A 55 0.473 6.382 9.557 1.00 0.00 H new ATOM 0 HZ PHE A 55 -0.063 4.616 11.187 1.00 0.00 H new ATOM 944 N ILE A 56 1.104 2.875 3.494 1.00 0.00 N ATOM 945 CA ILE A 56 1.348 3.000 2.062 1.00 0.00 C ATOM 946 C ILE A 56 1.422 4.465 1.644 1.00 0.00 C ATOM 947 O ILE A 56 0.508 5.246 1.911 1.00 0.00 O ATOM 948 CB ILE A 56 0.250 2.298 1.241 1.00 0.00 C ATOM 949 CG1 ILE A 56 0.160 0.820 1.626 1.00 0.00 C ATOM 950 CG2 ILE A 56 0.526 2.448 -0.248 1.00 0.00 C ATOM 951 CD1 ILE A 56 1.408 0.032 1.292 1.00 0.00 C ATOM 0 H ILE A 56 0.206 3.248 3.803 1.00 0.00 H new ATOM 0 HA ILE A 56 2.305 2.518 1.861 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.707 2.770 1.463 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.033 0.743 2.696 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.691 0.371 1.115 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -0.258 1.947 -0.816 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.544 3.506 -0.510 1.00 0.00 H new ATOM 0 HG23 ILE A 56 1.490 1.999 -0.486 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.273 -1.007 1.592 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.591 0.079 0.219 1.00 0.00 H new ATOM 0 HD13 ILE A 56 2.259 0.456 1.824 1.00 0.00 H new ATOM 963 N LEU A 57 2.516 4.830 0.984 1.00 0.00 N ATOM 964 CA LEU A 57 2.710 6.202 0.526 1.00 0.00 C ATOM 965 C LEU A 57 2.301 6.350 -0.936 1.00 0.00 C ATOM 966 O LEU A 57 2.853 5.690 -1.816 1.00 0.00 O ATOM 967 CB LEU A 57 4.172 6.617 0.703 1.00 0.00 C ATOM 968 CG LEU A 57 4.444 8.122 0.720 1.00 0.00 C ATOM 969 CD1 LEU A 57 5.807 8.411 1.330 1.00 0.00 C ATOM 970 CD2 LEU A 57 4.355 8.695 -0.687 1.00 0.00 C ATOM 0 H LEU A 57 3.281 4.196 0.754 1.00 0.00 H new ATOM 0 HA LEU A 57 2.078 6.854 1.129 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.540 6.191 1.636 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.756 6.171 -0.103 1.00 0.00 H new ATOM 0 HG LEU A 57 3.684 8.603 1.336 1.00 0.00 H new ATOM 0 HD11 LEU A 57 5.983 9.487 1.334 1.00 0.00 H new ATOM 0 HD12 LEU A 57 5.835 8.035 2.353 1.00 0.00 H new ATOM 0 HD13 LEU A 57 6.581 7.919 0.741 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.551 9.767 -0.656 1.00 0.00 H new ATOM 0 HD22 LEU A 57 5.093 8.209 -1.325 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.357 8.520 -1.089 1.00 0.00 H new ATOM 982 N PHE A 58 1.331 7.223 -1.188 1.00 0.00 N ATOM 983 CA PHE A 58 0.849 7.460 -2.543 1.00 0.00 C ATOM 984 C PHE A 58 1.403 8.769 -3.097 1.00 0.00 C ATOM 985 O PHE A 58 1.767 9.672 -2.342 1.00 0.00 O ATOM 986 CB PHE A 58 -0.681 7.491 -2.565 1.00 0.00 C ATOM 987 CG PHE A 58 -1.309 6.127 -2.544 1.00 0.00 C ATOM 988 CD1 PHE A 58 -1.547 5.478 -1.343 1.00 0.00 C ATOM 989 CD2 PHE A 58 -1.661 5.493 -3.725 1.00 0.00 C ATOM 990 CE1 PHE A 58 -2.124 4.222 -1.321 1.00 0.00 C ATOM 991 CE2 PHE A 58 -2.239 4.238 -3.709 1.00 0.00 C ATOM 992 CZ PHE A 58 -2.471 3.602 -2.505 1.00 0.00 C ATOM 0 H PHE A 58 0.864 7.778 -0.471 1.00 0.00 H new ATOM 0 HA PHE A 58 1.198 6.642 -3.174 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -1.037 8.059 -1.706 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -1.013 8.021 -3.458 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -1.279 5.959 -0.414 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -1.481 5.986 -4.669 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -2.303 3.726 -0.379 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -2.509 3.755 -4.637 1.00 0.00 H new ATOM 0 HZ PHE A 58 -2.923 2.621 -2.490 1.00 0.00 H new ATOM 1002 N LEU A 59 1.466 8.865 -4.421 1.00 0.00 N ATOM 1003 CA LEU A 59 1.976 10.063 -5.078 1.00 0.00 C ATOM 1004 C LEU A 59 1.057 11.254 -4.829 1.00 0.00 C ATOM 1005 O LEU A 59 1.509 12.329 -4.434 1.00 0.00 O ATOM 1006 CB LEU A 59 2.122 9.821 -6.581 1.00 0.00 C ATOM 1007 CG LEU A 59 2.932 10.864 -7.353 1.00 0.00 C ATOM 1008 CD1 LEU A 59 4.386 10.846 -6.910 1.00 0.00 C ATOM 1009 CD2 LEU A 59 2.826 10.619 -8.851 1.00 0.00 C ATOM 0 H LEU A 59 1.170 8.127 -5.060 1.00 0.00 H new ATOM 0 HA LEU A 59 2.955 10.290 -4.656 1.00 0.00 H new ATOM 0 HB2 LEU A 59 2.588 8.847 -6.728 1.00 0.00 H new ATOM 0 HB3 LEU A 59 1.125 9.767 -7.019 1.00 0.00 H new ATOM 0 HG LEU A 59 2.520 11.849 -7.136 1.00 0.00 H new ATOM 0 HD11 LEU A 59 4.946 11.595 -7.470 1.00 0.00 H new ATOM 0 HD12 LEU A 59 4.445 11.071 -5.845 1.00 0.00 H new ATOM 0 HD13 LEU A 59 4.811 9.860 -7.097 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.408 11.370 -9.385 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.212 9.627 -9.086 1.00 0.00 H new ATOM 0 HD23 LEU A 59 1.782 10.684 -9.157 1.00 0.00 H new ATOM 1021 N ASP A 60 -0.236 11.055 -5.062 1.00 0.00 N ATOM 1022 CA ASP A 60 -1.221 12.112 -4.860 1.00 0.00 C ATOM 1023 C ASP A 60 -2.315 11.659 -3.898 1.00 0.00 C ATOM 1024 O ASP A 60 -2.894 10.584 -4.060 1.00 0.00 O ATOM 1025 CB ASP A 60 -1.839 12.524 -6.197 1.00 0.00 C ATOM 1026 CG ASP A 60 -3.129 13.301 -6.023 1.00 0.00 C ATOM 1027 OD1 ASP A 60 -3.319 13.901 -4.945 1.00 0.00 O ATOM 1028 OD2 ASP A 60 -3.949 13.309 -6.966 1.00 0.00 O ATOM 0 H ASP A 60 -0.626 10.172 -5.391 1.00 0.00 H new ATOM 0 HA ASP A 60 -0.712 12.971 -4.424 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -1.124 13.131 -6.753 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -2.033 11.633 -6.795 1.00 0.00 H new ATOM 1033 N LYS A 61 -2.593 12.484 -2.895 1.00 0.00 N ATOM 1034 CA LYS A 61 -3.617 12.170 -1.906 1.00 0.00 C ATOM 1035 C LYS A 61 -4.914 11.738 -2.584 1.00 0.00 C ATOM 1036 O LYS A 61 -5.512 10.728 -2.214 1.00 0.00 O ATOM 1037 CB LYS A 61 -3.878 13.382 -1.009 1.00 0.00 C ATOM 1038 CG LYS A 61 -5.050 13.196 -0.061 1.00 0.00 C ATOM 1039 CD LYS A 61 -6.351 13.673 -0.683 1.00 0.00 C ATOM 1040 CE LYS A 61 -6.439 15.192 -0.695 1.00 0.00 C ATOM 1041 NZ LYS A 61 -7.710 15.669 -1.309 1.00 0.00 N ATOM 0 H LYS A 61 -2.123 13.377 -2.745 1.00 0.00 H new ATOM 0 HA LYS A 61 -3.254 11.344 -1.294 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -2.981 13.593 -0.427 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -4.063 14.254 -1.636 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -5.138 12.143 0.207 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.864 13.746 0.862 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -6.428 13.295 -1.702 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -7.194 13.263 -0.126 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -6.365 15.568 0.325 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -5.593 15.601 -1.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -7.732 16.709 -1.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -7.769 15.331 -2.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -8.517 15.300 -0.767 1.00 0.00 H new ATOM 1055 N ASP A 62 -5.341 12.509 -3.578 1.00 0.00 N ATOM 1056 CA ASP A 62 -6.565 12.204 -4.309 1.00 0.00 C ATOM 1057 C ASP A 62 -6.629 10.723 -4.670 1.00 0.00 C ATOM 1058 O ASP A 62 -7.699 10.116 -4.658 1.00 0.00 O ATOM 1059 CB ASP A 62 -6.653 13.055 -5.577 1.00 0.00 C ATOM 1060 CG ASP A 62 -8.084 13.328 -5.994 1.00 0.00 C ATOM 1061 OD1 ASP A 62 -8.707 14.243 -5.415 1.00 0.00 O ATOM 1062 OD2 ASP A 62 -8.582 12.627 -6.900 1.00 0.00 O ATOM 0 H ASP A 62 -4.858 13.349 -3.896 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.412 12.439 -3.664 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -6.139 14.002 -5.412 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -6.132 12.547 -6.389 1.00 0.00 H new ATOM 1067 N SER A 63 -5.474 10.148 -4.992 1.00 0.00 N ATOM 1068 CA SER A 63 -5.399 8.739 -5.362 1.00 0.00 C ATOM 1069 C SER A 63 -5.518 7.848 -4.130 1.00 0.00 C ATOM 1070 O SER A 63 -6.148 6.791 -4.173 1.00 0.00 O ATOM 1071 CB SER A 63 -4.085 8.451 -6.089 1.00 0.00 C ATOM 1072 OG SER A 63 -3.983 9.212 -7.280 1.00 0.00 O ATOM 0 H SER A 63 -4.578 10.636 -5.004 1.00 0.00 H new ATOM 0 HA SER A 63 -6.231 8.519 -6.030 1.00 0.00 H new ATOM 0 HB2 SER A 63 -3.245 8.682 -5.434 1.00 0.00 H new ATOM 0 HB3 SER A 63 -4.022 7.389 -6.326 1.00 0.00 H new ATOM 0 HG SER A 63 -3.133 9.011 -7.725 1.00 0.00 H new ATOM 1078 N ALA A 64 -4.908 8.282 -3.032 1.00 0.00 N ATOM 1079 CA ALA A 64 -4.947 7.525 -1.786 1.00 0.00 C ATOM 1080 C ALA A 64 -6.380 7.338 -1.302 1.00 0.00 C ATOM 1081 O ALA A 64 -6.788 6.228 -0.959 1.00 0.00 O ATOM 1082 CB ALA A 64 -4.114 8.221 -0.720 1.00 0.00 C ATOM 0 H ALA A 64 -4.381 9.154 -2.980 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.524 6.538 -1.975 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -4.152 7.645 0.205 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.081 8.297 -1.058 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -4.512 9.220 -0.542 1.00 0.00 H new ATOM 1088 N GLN A 65 -7.139 8.429 -1.276 1.00 0.00 N ATOM 1089 CA GLN A 65 -8.527 8.383 -0.832 1.00 0.00 C ATOM 1090 C GLN A 65 -9.260 7.201 -1.458 1.00 0.00 C ATOM 1091 O GLN A 65 -9.877 6.400 -0.757 1.00 0.00 O ATOM 1092 CB GLN A 65 -9.241 9.688 -1.188 1.00 0.00 C ATOM 1093 CG GLN A 65 -8.822 10.866 -0.324 1.00 0.00 C ATOM 1094 CD GLN A 65 -9.609 12.125 -0.632 1.00 0.00 C ATOM 1095 OE1 GLN A 65 -9.731 12.527 -1.789 1.00 0.00 O ATOM 1096 NE2 GLN A 65 -10.149 12.755 0.406 1.00 0.00 N ATOM 0 H GLN A 65 -6.816 9.355 -1.557 1.00 0.00 H new ATOM 0 HA GLN A 65 -8.532 8.258 0.251 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -9.044 9.927 -2.233 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -10.317 9.542 -1.091 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -8.955 10.607 0.726 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -7.760 11.061 -0.472 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -10.023 12.386 1.349 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -10.690 13.607 0.260 1.00 0.00 H new ATOM 1105 N ASN A 66 -9.188 7.100 -2.781 1.00 0.00 N ATOM 1106 CA ASN A 66 -9.846 6.016 -3.501 1.00 0.00 C ATOM 1107 C ASN A 66 -9.628 4.681 -2.794 1.00 0.00 C ATOM 1108 O ASN A 66 -10.584 3.981 -2.459 1.00 0.00 O ATOM 1109 CB ASN A 66 -9.321 5.937 -4.936 1.00 0.00 C ATOM 1110 CG ASN A 66 -10.187 5.061 -5.821 1.00 0.00 C ATOM 1111 OD1 ASN A 66 -11.001 4.278 -5.332 1.00 0.00 O ATOM 1112 ND2 ASN A 66 -10.015 5.190 -7.132 1.00 0.00 N ATOM 0 H ASN A 66 -8.681 7.755 -3.376 1.00 0.00 H new ATOM 0 HA ASN A 66 -10.916 6.225 -3.523 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -9.273 6.941 -5.358 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -8.303 5.546 -4.927 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -10.570 4.627 -7.777 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -9.328 5.852 -7.494 1.00 0.00 H new ATOM 1119 N CYS A 67 -8.365 4.337 -2.570 1.00 0.00 N ATOM 1120 CA CYS A 67 -8.020 3.086 -1.903 1.00 0.00 C ATOM 1121 C CYS A 67 -8.645 3.022 -0.513 1.00 0.00 C ATOM 1122 O CYS A 67 -9.154 1.980 -0.096 1.00 0.00 O ATOM 1123 CB CYS A 67 -6.501 2.941 -1.800 1.00 0.00 C ATOM 1124 SG CYS A 67 -5.961 1.558 -0.767 1.00 0.00 S ATOM 0 H CYS A 67 -7.563 4.906 -2.840 1.00 0.00 H new ATOM 0 HA CYS A 67 -8.416 2.263 -2.498 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -6.090 2.815 -2.802 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -6.085 3.865 -1.399 1.00 0.00 H new ATOM 0 HG CYS A 67 -5.755 0.514 -1.513 1.00 0.00 H new ATOM 1130 N THR A 68 -8.602 4.141 0.203 1.00 0.00 N ATOM 1131 CA THR A 68 -9.161 4.212 1.547 1.00 0.00 C ATOM 1132 C THR A 68 -10.666 3.972 1.529 1.00 0.00 C ATOM 1133 O THR A 68 -11.291 3.817 2.578 1.00 0.00 O ATOM 1134 CB THR A 68 -8.877 5.576 2.202 1.00 0.00 C ATOM 1135 OG1 THR A 68 -7.589 6.056 1.799 1.00 0.00 O ATOM 1136 CG2 THR A 68 -8.931 5.470 3.719 1.00 0.00 C ATOM 0 H THR A 68 -8.185 5.012 -0.126 1.00 0.00 H new ATOM 0 HA THR A 68 -8.678 3.429 2.132 1.00 0.00 H new ATOM 0 HB THR A 68 -9.644 6.277 1.874 1.00 0.00 H new ATOM 0 HG1 THR A 68 -6.953 5.310 1.780 1.00 0.00 H new ATOM 0 HG21 THR A 68 -8.727 6.446 4.159 1.00 0.00 H new ATOM 0 HG22 THR A 68 -9.921 5.133 4.025 1.00 0.00 H new ATOM 0 HG23 THR A 68 -8.183 4.754 4.061 1.00 0.00 H new ATOM 1144 N ARG A 69 -11.242 3.943 0.332 1.00 0.00 N ATOM 1145 CA ARG A 69 -12.675 3.723 0.179 1.00 0.00 C ATOM 1146 C ARG A 69 -12.947 2.485 -0.670 1.00 0.00 C ATOM 1147 O ARG A 69 -14.098 2.097 -0.870 1.00 0.00 O ATOM 1148 CB ARG A 69 -13.336 4.947 -0.459 1.00 0.00 C ATOM 1149 CG ARG A 69 -14.795 4.730 -0.823 1.00 0.00 C ATOM 1150 CD ARG A 69 -15.476 6.038 -1.197 1.00 0.00 C ATOM 1151 NE ARG A 69 -16.931 5.915 -1.207 1.00 0.00 N ATOM 1152 CZ ARG A 69 -17.741 6.813 -1.755 1.00 0.00 C ATOM 1153 NH1 ARG A 69 -17.240 7.895 -2.335 1.00 0.00 N ATOM 1154 NH2 ARG A 69 -19.055 6.631 -1.723 1.00 0.00 N ATOM 0 H ARG A 69 -10.738 4.069 -0.546 1.00 0.00 H new ATOM 0 HA ARG A 69 -13.100 3.564 1.170 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -13.263 5.789 0.229 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -12.783 5.221 -1.357 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -14.863 4.031 -1.657 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -15.317 4.274 0.018 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -15.183 6.814 -0.490 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -15.133 6.357 -2.181 1.00 0.00 H new ATOM 0 HE ARG A 69 -17.348 5.094 -0.769 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -16.231 8.039 -2.361 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -17.864 8.584 -2.755 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -19.444 5.800 -1.277 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -19.676 7.322 -2.144 1.00 0.00 H new ATOM 1168 N ALA A 70 -11.880 1.868 -1.167 1.00 0.00 N ATOM 1169 CA ALA A 70 -12.003 0.673 -1.993 1.00 0.00 C ATOM 1170 C ALA A 70 -11.743 -0.588 -1.177 1.00 0.00 C ATOM 1171 O ALA A 70 -12.452 -1.585 -1.314 1.00 0.00 O ATOM 1172 CB ALA A 70 -11.047 0.747 -3.174 1.00 0.00 C ATOM 0 H ALA A 70 -10.920 2.176 -1.012 1.00 0.00 H new ATOM 0 HA ALA A 70 -13.025 0.625 -2.370 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -11.150 -0.152 -3.782 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -11.283 1.623 -3.778 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -10.023 0.823 -2.809 1.00 0.00 H new ATOM 1178 N ILE A 71 -10.722 -0.537 -0.328 1.00 0.00 N ATOM 1179 CA ILE A 71 -10.369 -1.676 0.511 1.00 0.00 C ATOM 1180 C ILE A 71 -10.976 -1.542 1.903 1.00 0.00 C ATOM 1181 O ILE A 71 -11.196 -2.536 2.594 1.00 0.00 O ATOM 1182 CB ILE A 71 -8.842 -1.827 0.641 1.00 0.00 C ATOM 1183 CG1 ILE A 71 -8.288 -0.799 1.631 1.00 0.00 C ATOM 1184 CG2 ILE A 71 -8.176 -1.672 -0.718 1.00 0.00 C ATOM 1185 CD1 ILE A 71 -6.813 -0.971 1.919 1.00 0.00 C ATOM 0 H ILE A 71 -10.125 0.280 -0.203 1.00 0.00 H new ATOM 0 HA ILE A 71 -10.774 -2.564 0.025 1.00 0.00 H new ATOM 0 HB ILE A 71 -8.622 -2.825 1.020 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -8.458 0.202 1.236 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -8.843 -0.871 2.566 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -7.097 -1.781 -0.609 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -8.552 -2.438 -1.397 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -8.402 -0.686 -1.123 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -6.489 -0.209 2.628 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -6.638 -1.959 2.344 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -6.247 -0.869 0.993 1.00 0.00 H new ATOM 1197 N ASN A 72 -11.246 -0.306 2.309 1.00 0.00 N ATOM 1198 CA ASN A 72 -11.830 -0.042 3.619 1.00 0.00 C ATOM 1199 C ASN A 72 -13.104 -0.856 3.821 1.00 0.00 C ATOM 1200 O ASN A 72 -14.022 -0.805 3.004 1.00 0.00 O ATOM 1201 CB ASN A 72 -12.135 1.450 3.773 1.00 0.00 C ATOM 1202 CG ASN A 72 -13.308 1.707 4.700 1.00 0.00 C ATOM 1203 OD1 ASN A 72 -13.233 1.447 5.901 1.00 0.00 O ATOM 1204 ND2 ASN A 72 -14.399 2.221 4.144 1.00 0.00 N ATOM 0 H ASN A 72 -11.070 0.529 1.750 1.00 0.00 H new ATOM 0 HA ASN A 72 -11.106 -0.339 4.378 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -11.252 1.961 4.158 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -12.349 1.878 2.793 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -15.220 2.416 4.717 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -14.416 2.421 3.144 1.00 0.00 H new ATOM 1211 N ASN A 73 -13.152 -1.607 4.917 1.00 0.00 N ATOM 1212 CA ASN A 73 -14.313 -2.433 5.228 1.00 0.00 C ATOM 1213 C ASN A 73 -14.495 -3.530 4.183 1.00 0.00 C ATOM 1214 O ASN A 73 -15.591 -3.728 3.658 1.00 0.00 O ATOM 1215 CB ASN A 73 -15.574 -1.570 5.301 1.00 0.00 C ATOM 1216 CG ASN A 73 -16.800 -2.369 5.698 1.00 0.00 C ATOM 1217 OD1 ASN A 73 -16.716 -3.296 6.504 1.00 0.00 O ATOM 1218 ND2 ASN A 73 -17.947 -2.014 5.131 1.00 0.00 N ATOM 0 H ASN A 73 -12.400 -1.660 5.604 1.00 0.00 H new ATOM 0 HA ASN A 73 -14.145 -2.902 6.197 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -15.419 -0.766 6.020 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -15.747 -1.102 4.332 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -18.805 -2.516 5.358 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -17.970 -1.239 4.468 1.00 0.00 H new ATOM 1225 N LYS A 74 -13.413 -4.242 3.886 1.00 0.00 N ATOM 1226 CA LYS A 74 -13.452 -5.321 2.907 1.00 0.00 C ATOM 1227 C LYS A 74 -12.585 -6.494 3.354 1.00 0.00 C ATOM 1228 O LYS A 74 -11.604 -6.311 4.075 1.00 0.00 O ATOM 1229 CB LYS A 74 -12.980 -4.815 1.542 1.00 0.00 C ATOM 1230 CG LYS A 74 -13.802 -3.657 1.005 1.00 0.00 C ATOM 1231 CD LYS A 74 -15.106 -4.136 0.389 1.00 0.00 C ATOM 1232 CE LYS A 74 -14.892 -4.677 -1.016 1.00 0.00 C ATOM 1233 NZ LYS A 74 -15.903 -5.712 -1.371 1.00 0.00 N ATOM 0 H LYS A 74 -12.498 -4.091 4.310 1.00 0.00 H new ATOM 0 HA LYS A 74 -14.483 -5.666 2.824 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -11.938 -4.505 1.619 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -13.015 -5.637 0.827 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -14.016 -2.956 1.812 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -13.223 -3.115 0.257 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -15.543 -4.913 1.017 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -15.819 -3.313 0.358 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -14.944 -3.857 -1.733 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -13.892 -5.104 -1.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -15.723 -6.056 -2.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -15.837 -6.506 -0.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -16.856 -5.298 -1.323 1.00 0.00 H new ATOM 1247 N GLN A 75 -12.952 -7.695 2.921 1.00 0.00 N ATOM 1248 CA GLN A 75 -12.206 -8.896 3.277 1.00 0.00 C ATOM 1249 C GLN A 75 -11.242 -9.289 2.162 1.00 0.00 C ATOM 1250 O GLN A 75 -11.661 -9.741 1.095 1.00 0.00 O ATOM 1251 CB GLN A 75 -13.166 -10.051 3.567 1.00 0.00 C ATOM 1252 CG GLN A 75 -14.242 -9.707 4.584 1.00 0.00 C ATOM 1253 CD GLN A 75 -15.509 -10.517 4.391 1.00 0.00 C ATOM 1254 OE1 GLN A 75 -15.814 -11.411 5.181 1.00 0.00 O ATOM 1255 NE2 GLN A 75 -16.255 -10.208 3.337 1.00 0.00 N ATOM 0 H GLN A 75 -13.761 -7.863 2.323 1.00 0.00 H new ATOM 0 HA GLN A 75 -11.626 -8.680 4.174 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -13.643 -10.359 2.636 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -12.594 -10.905 3.930 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -13.855 -9.879 5.588 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -14.479 -8.646 4.511 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -15.964 -9.459 2.708 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -17.119 -10.719 3.156 1.00 0.00 H new ATOM 1264 N LEU A 76 -9.950 -9.113 2.415 1.00 0.00 N ATOM 1265 CA LEU A 76 -8.925 -9.449 1.432 1.00 0.00 C ATOM 1266 C LEU A 76 -7.980 -10.516 1.975 1.00 0.00 C ATOM 1267 O LEU A 76 -7.774 -10.621 3.184 1.00 0.00 O ATOM 1268 CB LEU A 76 -8.134 -8.199 1.045 1.00 0.00 C ATOM 1269 CG LEU A 76 -8.839 -7.223 0.102 1.00 0.00 C ATOM 1270 CD1 LEU A 76 -9.840 -6.371 0.866 1.00 0.00 C ATOM 1271 CD2 LEU A 76 -7.823 -6.344 -0.613 1.00 0.00 C ATOM 0 H LEU A 76 -9.587 -8.740 3.292 1.00 0.00 H new ATOM 0 HA LEU A 76 -9.421 -9.846 0.546 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.869 -7.664 1.957 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -7.201 -8.514 0.578 1.00 0.00 H new ATOM 0 HG LEU A 76 -9.382 -7.800 -0.647 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -10.332 -5.683 0.178 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -10.587 -7.015 1.330 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -9.320 -5.803 1.638 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -8.343 -5.656 -1.280 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -7.252 -5.776 0.122 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -7.145 -6.970 -1.194 1.00 0.00 H new ATOM 1283 N PHE A 77 -7.405 -11.304 1.072 1.00 0.00 N ATOM 1284 CA PHE A 77 -6.480 -12.362 1.459 1.00 0.00 C ATOM 1285 C PHE A 77 -6.997 -13.117 2.680 1.00 0.00 C ATOM 1286 O PHE A 77 -6.222 -13.693 3.442 1.00 0.00 O ATOM 1287 CB PHE A 77 -5.098 -11.777 1.756 1.00 0.00 C ATOM 1288 CG PHE A 77 -4.329 -11.400 0.521 1.00 0.00 C ATOM 1289 CD1 PHE A 77 -4.546 -10.181 -0.100 1.00 0.00 C ATOM 1290 CD2 PHE A 77 -3.389 -12.264 -0.016 1.00 0.00 C ATOM 1291 CE1 PHE A 77 -3.841 -9.832 -1.237 1.00 0.00 C ATOM 1292 CE2 PHE A 77 -2.680 -11.920 -1.152 1.00 0.00 C ATOM 1293 CZ PHE A 77 -2.906 -10.702 -1.763 1.00 0.00 C ATOM 0 H PHE A 77 -7.564 -11.229 0.067 1.00 0.00 H new ATOM 0 HA PHE A 77 -6.400 -13.062 0.627 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -5.213 -10.895 2.386 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -4.520 -12.503 2.327 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -5.274 -9.496 0.308 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -3.208 -13.217 0.458 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -4.021 -8.880 -1.714 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -1.950 -12.603 -1.561 1.00 0.00 H new ATOM 0 HZ PHE A 77 -2.353 -10.431 -2.650 1.00 0.00 H new ATOM 1303 N GLY A 78 -8.315 -13.109 2.859 1.00 0.00 N ATOM 1304 CA GLY A 78 -8.914 -13.795 3.989 1.00 0.00 C ATOM 1305 C GLY A 78 -8.642 -13.093 5.305 1.00 0.00 C ATOM 1306 O GLY A 78 -8.302 -13.735 6.299 1.00 0.00 O ATOM 0 H GLY A 78 -8.978 -12.640 2.242 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -9.991 -13.869 3.836 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -8.528 -14.813 4.038 1.00 0.00 H new ATOM 1310 N ARG A 79 -8.789 -11.772 5.311 1.00 0.00 N ATOM 1311 CA ARG A 79 -8.553 -10.983 6.513 1.00 0.00 C ATOM 1312 C ARG A 79 -9.090 -9.564 6.346 1.00 0.00 C ATOM 1313 O ARG A 79 -8.546 -8.769 5.580 1.00 0.00 O ATOM 1314 CB ARG A 79 -7.058 -10.939 6.835 1.00 0.00 C ATOM 1315 CG ARG A 79 -6.168 -10.982 5.604 1.00 0.00 C ATOM 1316 CD ARG A 79 -4.724 -11.287 5.970 1.00 0.00 C ATOM 1317 NE ARG A 79 -4.254 -10.459 7.077 1.00 0.00 N ATOM 1318 CZ ARG A 79 -3.140 -10.705 7.758 1.00 0.00 C ATOM 1319 NH1 ARG A 79 -2.386 -11.750 7.446 1.00 0.00 N ATOM 1320 NH2 ARG A 79 -2.778 -9.905 8.752 1.00 0.00 N ATOM 0 H ARG A 79 -9.070 -11.226 4.497 1.00 0.00 H new ATOM 0 HA ARG A 79 -9.082 -11.459 7.339 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -6.843 -10.030 7.397 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -6.810 -11.780 7.482 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -6.537 -11.740 4.913 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -6.218 -10.025 5.084 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -4.633 -12.339 6.240 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -4.087 -11.125 5.100 1.00 0.00 H new ATOM 0 HE ARG A 79 -4.812 -9.647 7.342 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -2.661 -12.367 6.682 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -1.531 -11.937 7.970 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -3.355 -9.100 8.995 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -1.923 -10.095 9.274 1.00 0.00 H new ATOM 1334 N VAL A 80 -10.162 -9.254 7.069 1.00 0.00 N ATOM 1335 CA VAL A 80 -10.772 -7.932 7.002 1.00 0.00 C ATOM 1336 C VAL A 80 -9.714 -6.835 7.045 1.00 0.00 C ATOM 1337 O VAL A 80 -9.154 -6.540 8.101 1.00 0.00 O ATOM 1338 CB VAL A 80 -11.768 -7.715 8.156 1.00 0.00 C ATOM 1339 CG1 VAL A 80 -12.463 -6.369 8.016 1.00 0.00 C ATOM 1340 CG2 VAL A 80 -12.784 -8.846 8.203 1.00 0.00 C ATOM 0 H VAL A 80 -10.625 -9.901 7.707 1.00 0.00 H new ATOM 0 HA VAL A 80 -11.308 -7.878 6.054 1.00 0.00 H new ATOM 0 HB VAL A 80 -11.214 -7.715 9.095 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -13.163 -6.233 8.840 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -11.720 -5.572 8.036 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -13.005 -6.336 7.071 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -13.480 -8.676 9.025 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -13.334 -8.880 7.263 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -12.267 -9.793 8.355 1.00 0.00 H new ATOM 1350 N ILE A 81 -9.446 -6.234 5.891 1.00 0.00 N ATOM 1351 CA ILE A 81 -8.456 -5.168 5.797 1.00 0.00 C ATOM 1352 C ILE A 81 -9.100 -3.801 5.997 1.00 0.00 C ATOM 1353 O ILE A 81 -10.150 -3.506 5.425 1.00 0.00 O ATOM 1354 CB ILE A 81 -7.734 -5.189 4.436 1.00 0.00 C ATOM 1355 CG1 ILE A 81 -7.031 -6.532 4.228 1.00 0.00 C ATOM 1356 CG2 ILE A 81 -6.736 -4.044 4.349 1.00 0.00 C ATOM 1357 CD1 ILE A 81 -5.935 -6.485 3.187 1.00 0.00 C ATOM 0 H ILE A 81 -9.900 -6.467 5.008 1.00 0.00 H new ATOM 0 HA ILE A 81 -7.727 -5.343 6.589 1.00 0.00 H new ATOM 0 HB ILE A 81 -8.474 -5.061 3.646 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -6.606 -6.861 5.176 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -7.769 -7.278 3.933 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -6.234 -4.072 3.382 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -7.261 -3.095 4.458 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -5.997 -4.144 5.144 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -5.481 -7.471 3.092 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -6.357 -6.186 2.228 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -5.176 -5.764 3.490 1.00 0.00 H new ATOM 1369 N LYS A 82 -8.464 -2.967 6.813 1.00 0.00 N ATOM 1370 CA LYS A 82 -8.971 -1.628 7.087 1.00 0.00 C ATOM 1371 C LYS A 82 -8.054 -0.565 6.490 1.00 0.00 C ATOM 1372 O LYS A 82 -6.836 -0.733 6.454 1.00 0.00 O ATOM 1373 CB LYS A 82 -9.106 -1.411 8.596 1.00 0.00 C ATOM 1374 CG LYS A 82 -9.591 -2.639 9.347 1.00 0.00 C ATOM 1375 CD LYS A 82 -11.098 -2.804 9.230 1.00 0.00 C ATOM 1376 CE LYS A 82 -11.652 -3.669 10.352 1.00 0.00 C ATOM 1377 NZ LYS A 82 -13.053 -3.301 10.696 1.00 0.00 N ATOM 0 H LYS A 82 -7.595 -3.196 7.296 1.00 0.00 H new ATOM 0 HA LYS A 82 -9.953 -1.537 6.623 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -8.140 -1.108 8.999 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -9.799 -0.589 8.776 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -9.095 -3.527 8.954 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -9.313 -2.558 10.398 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -11.575 -1.824 9.255 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -11.342 -3.254 8.268 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -11.614 -4.717 10.055 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -11.022 -3.565 11.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -13.394 -3.913 11.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -13.086 -2.308 11.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -13.660 -3.424 9.860 1.00 0.00 H new ATOM 1391 N ALA A 83 -8.649 0.528 6.023 1.00 0.00 N ATOM 1392 CA ALA A 83 -7.885 1.619 5.431 1.00 0.00 C ATOM 1393 C ALA A 83 -8.370 2.971 5.945 1.00 0.00 C ATOM 1394 O ALA A 83 -9.571 3.196 6.090 1.00 0.00 O ATOM 1395 CB ALA A 83 -7.978 1.565 3.913 1.00 0.00 C ATOM 0 H ALA A 83 -9.657 0.681 6.043 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.842 1.501 5.725 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -7.403 2.385 3.484 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -7.577 0.616 3.557 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -9.021 1.655 3.609 1.00 0.00 H new ATOM 1401 N SER A 84 -7.427 3.867 6.219 1.00 0.00 N ATOM 1402 CA SER A 84 -7.758 5.195 6.722 1.00 0.00 C ATOM 1403 C SER A 84 -6.593 6.159 6.519 1.00 0.00 C ATOM 1404 O SER A 84 -5.429 5.768 6.606 1.00 0.00 O ATOM 1405 CB SER A 84 -8.126 5.125 8.205 1.00 0.00 C ATOM 1406 OG SER A 84 -9.214 4.244 8.421 1.00 0.00 O ATOM 0 H SER A 84 -6.428 3.697 6.101 1.00 0.00 H new ATOM 0 HA SER A 84 -8.615 5.566 6.160 1.00 0.00 H new ATOM 0 HB2 SER A 84 -7.263 4.790 8.781 1.00 0.00 H new ATOM 0 HB3 SER A 84 -8.383 6.121 8.566 1.00 0.00 H new ATOM 0 HG SER A 84 -9.650 4.047 7.566 1.00 0.00 H new ATOM 1412 N ILE A 85 -6.916 7.419 6.249 1.00 0.00 N ATOM 1413 CA ILE A 85 -5.897 8.439 6.034 1.00 0.00 C ATOM 1414 C ILE A 85 -5.048 8.639 7.285 1.00 0.00 C ATOM 1415 O ILE A 85 -5.575 8.802 8.386 1.00 0.00 O ATOM 1416 CB ILE A 85 -6.525 9.787 5.633 1.00 0.00 C ATOM 1417 CG1 ILE A 85 -7.403 9.615 4.392 1.00 0.00 C ATOM 1418 CG2 ILE A 85 -5.440 10.823 5.382 1.00 0.00 C ATOM 1419 CD1 ILE A 85 -6.803 8.699 3.349 1.00 0.00 C ATOM 0 H ILE A 85 -7.875 7.758 6.174 1.00 0.00 H new ATOM 0 HA ILE A 85 -5.264 8.086 5.220 1.00 0.00 H new ATOM 0 HB ILE A 85 -7.152 10.138 6.453 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -8.373 9.221 4.695 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -7.582 10.593 3.945 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -5.900 11.770 5.100 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -4.852 10.961 6.289 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -4.790 10.481 4.577 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -7.480 8.624 2.498 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -5.846 9.103 3.017 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -6.650 7.709 3.779 1.00 0.00 H new ATOM 1431 N ALA A 86 -3.731 8.627 7.108 1.00 0.00 N ATOM 1432 CA ALA A 86 -2.809 8.811 8.222 1.00 0.00 C ATOM 1433 C ALA A 86 -2.248 10.229 8.241 1.00 0.00 C ATOM 1434 O ALA A 86 -1.381 10.575 7.438 1.00 0.00 O ATOM 1435 CB ALA A 86 -1.679 7.795 8.144 1.00 0.00 C ATOM 0 H ALA A 86 -3.279 8.492 6.204 1.00 0.00 H new ATOM 0 HA ALA A 86 -3.361 8.654 9.149 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -0.998 7.944 8.982 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -2.092 6.787 8.187 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -1.136 7.925 7.208 1.00 0.00 H new