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 22 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 23 ASN : amide:sc= 0.905 K(o=0.9,f=-4.5!) USER MOD Single : A 10 SER OG : rot 22:sc= 0.56 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= -0.246 USER MOD Single : A 16 ASN : amide:sc= -0.134 X(o=-0.13,f=-0.13) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -0.292 X(o=-0.29,f=-0.019) USER MOD Single : A 27 TYR OH : rot 126:sc= 1.21 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 165:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.379) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 MET CE :methyl -154:sc= -7.88! (180deg=-9.93!) 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 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= -0.0236 USER MOD Single : A 51 LYS NZ :NH3+ 174:sc= 0.0152 (180deg=0.0125) 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= -0.0964 K(o=-0.096,f=-1.8!) USER MOD Single : A 66 ASN : amide:sc= -0.306 K(o=-0.31,f=-1.5) USER MOD Single : A 67 CYS SG : rot 87:sc= 0.358 USER MOD Single : A 68 THR OG1 : rot 79:sc= 0.775 USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 ASN : amide:sc= -0.16 K(o=-0.16,f=0.47) USER MOD Single : A 74 LYS NZ :NH3+ -107:sc= 0.194 (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 34:sc= 1.13 USER MOD ----------------------------------------------------------------- ATOM 184 N SER A 10 -1.625 11.728 1.760 1.00 0.00 N ATOM 185 CA SER A 10 -1.179 10.748 0.777 1.00 0.00 C ATOM 186 C SER A 10 -1.024 9.371 1.414 1.00 0.00 C ATOM 187 O SER A 10 -1.487 8.366 0.872 1.00 0.00 O ATOM 188 CB SER A 10 0.147 11.187 0.154 1.00 0.00 C ATOM 189 OG SER A 10 0.247 12.599 0.109 1.00 0.00 O ATOM 0 HA SER A 10 -1.936 10.684 -0.005 1.00 0.00 H new ATOM 0 HB2 SER A 10 0.976 10.779 0.732 1.00 0.00 H new ATOM 0 HB3 SER A 10 0.231 10.781 -0.854 1.00 0.00 H new ATOM 0 HG SER A 10 -0.359 12.991 0.771 1.00 0.00 H new ATOM 195 N THR A 11 -0.368 9.331 2.570 1.00 0.00 N ATOM 196 CA THR A 11 -0.150 8.078 3.282 1.00 0.00 C ATOM 197 C THR A 11 -1.473 7.405 3.630 1.00 0.00 C ATOM 198 O THR A 11 -2.396 8.049 4.129 1.00 0.00 O ATOM 199 CB THR A 11 0.656 8.300 4.576 1.00 0.00 C ATOM 200 OG1 THR A 11 1.912 8.917 4.271 1.00 0.00 O ATOM 201 CG2 THR A 11 0.894 6.983 5.299 1.00 0.00 C ATOM 0 H THR A 11 0.021 10.152 3.033 1.00 0.00 H new ATOM 0 HA THR A 11 0.419 7.431 2.615 1.00 0.00 H new ATOM 0 HB THR A 11 0.079 8.955 5.229 1.00 0.00 H new ATOM 0 HG1 THR A 11 2.418 9.056 5.099 1.00 0.00 H new ATOM 0 HG21 THR A 11 1.465 7.166 6.209 1.00 0.00 H new ATOM 0 HG22 THR A 11 -0.064 6.531 5.556 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.452 6.307 4.650 1.00 0.00 H new ATOM 209 N VAL A 12 -1.558 6.106 3.364 1.00 0.00 N ATOM 210 CA VAL A 12 -2.768 5.345 3.650 1.00 0.00 C ATOM 211 C VAL A 12 -2.534 4.343 4.775 1.00 0.00 C ATOM 212 O VAL A 12 -1.620 3.520 4.707 1.00 0.00 O ATOM 213 CB VAL A 12 -3.267 4.592 2.402 1.00 0.00 C ATOM 214 CG1 VAL A 12 -4.465 3.721 2.747 1.00 0.00 C ATOM 215 CG2 VAL A 12 -3.613 5.573 1.292 1.00 0.00 C ATOM 0 H VAL A 12 -0.803 5.558 2.951 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.527 6.063 3.959 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.467 3.943 2.046 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.803 3.197 1.853 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.179 2.994 3.507 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.272 4.347 3.128 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.964 5.024 0.418 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.397 6.249 1.635 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.727 6.150 1.027 1.00 0.00 H new ATOM 225 N TYR A 13 -3.365 4.417 5.808 1.00 0.00 N ATOM 226 CA TYR A 13 -3.248 3.517 6.950 1.00 0.00 C ATOM 227 C TYR A 13 -3.979 2.204 6.686 1.00 0.00 C ATOM 228 O TYR A 13 -5.201 2.124 6.811 1.00 0.00 O ATOM 229 CB TYR A 13 -3.807 4.181 8.209 1.00 0.00 C ATOM 230 CG TYR A 13 -3.309 3.558 9.494 1.00 0.00 C ATOM 231 CD1 TYR A 13 -3.399 2.188 9.705 1.00 0.00 C ATOM 232 CD2 TYR A 13 -2.749 4.340 10.496 1.00 0.00 C ATOM 233 CE1 TYR A 13 -2.946 1.615 10.877 1.00 0.00 C ATOM 234 CE2 TYR A 13 -2.293 3.775 11.672 1.00 0.00 C ATOM 235 CZ TYR A 13 -2.394 2.412 11.858 1.00 0.00 C ATOM 236 OH TYR A 13 -1.941 1.845 13.027 1.00 0.00 O ATOM 0 H TYR A 13 -4.127 5.091 5.879 1.00 0.00 H new ATOM 0 HA TYR A 13 -2.191 3.299 7.102 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -3.541 5.238 8.201 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -4.895 4.126 8.186 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -3.831 1.560 8.939 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -2.669 5.408 10.354 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -3.024 0.548 11.025 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -1.860 4.397 12.441 1.00 0.00 H new ATOM 0 HH TYR A 13 -1.581 2.544 13.611 1.00 0.00 H new ATOM 246 N VAL A 14 -3.221 1.175 6.321 1.00 0.00 N ATOM 247 CA VAL A 14 -3.795 -0.136 6.041 1.00 0.00 C ATOM 248 C VAL A 14 -3.307 -1.175 7.044 1.00 0.00 C ATOM 249 O VAL A 14 -2.104 -1.353 7.234 1.00 0.00 O ATOM 250 CB VAL A 14 -3.445 -0.609 4.617 1.00 0.00 C ATOM 251 CG1 VAL A 14 -4.386 -1.720 4.177 1.00 0.00 C ATOM 252 CG2 VAL A 14 -3.491 0.557 3.642 1.00 0.00 C ATOM 0 H VAL A 14 -2.208 1.224 6.212 1.00 0.00 H new ATOM 0 HA VAL A 14 -4.877 -0.033 6.126 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.430 -1.007 4.624 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -4.124 -2.041 3.169 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.298 -2.564 4.861 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -5.412 -1.352 4.185 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -3.241 0.205 2.641 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -4.493 0.987 3.636 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -2.772 1.317 3.949 1.00 0.00 H new ATOM 262 N SER A 15 -4.249 -1.859 7.684 1.00 0.00 N ATOM 263 CA SER A 15 -3.916 -2.879 8.672 1.00 0.00 C ATOM 264 C SER A 15 -4.495 -4.233 8.271 1.00 0.00 C ATOM 265 O SER A 15 -5.174 -4.353 7.252 1.00 0.00 O ATOM 266 CB SER A 15 -4.440 -2.475 10.051 1.00 0.00 C ATOM 267 OG SER A 15 -3.494 -1.679 10.743 1.00 0.00 O ATOM 0 H SER A 15 -5.249 -1.726 7.536 1.00 0.00 H new ATOM 0 HA SER A 15 -2.830 -2.966 8.716 1.00 0.00 H new ATOM 0 HB2 SER A 15 -5.373 -1.923 9.941 1.00 0.00 H new ATOM 0 HB3 SER A 15 -4.664 -3.368 10.634 1.00 0.00 H new ATOM 0 HG SER A 15 -3.854 -1.432 11.621 1.00 0.00 H new ATOM 273 N ASN A 16 -4.222 -5.250 9.082 1.00 0.00 N ATOM 274 CA ASN A 16 -4.715 -6.595 8.814 1.00 0.00 C ATOM 275 C ASN A 16 -4.224 -7.094 7.458 1.00 0.00 C ATOM 276 O ASN A 16 -4.875 -7.918 6.814 1.00 0.00 O ATOM 277 CB ASN A 16 -6.244 -6.618 8.855 1.00 0.00 C ATOM 278 CG ASN A 16 -6.781 -6.930 10.238 1.00 0.00 C ATOM 279 OD1 ASN A 16 -6.762 -6.080 11.129 1.00 0.00 O ATOM 280 ND2 ASN A 16 -7.262 -8.153 10.425 1.00 0.00 N ATOM 0 H ASN A 16 -3.662 -5.168 9.930 1.00 0.00 H new ATOM 0 HA ASN A 16 -4.328 -7.258 9.588 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -6.628 -5.651 8.529 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -6.612 -7.362 8.149 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -7.636 -8.420 11.336 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -7.258 -8.825 9.658 1.00 0.00 H new ATOM 287 N LEU A 17 -3.072 -6.589 7.030 1.00 0.00 N ATOM 288 CA LEU A 17 -2.493 -6.983 5.750 1.00 0.00 C ATOM 289 C LEU A 17 -1.717 -8.290 5.884 1.00 0.00 C ATOM 290 O LEU A 17 -1.070 -8.556 6.897 1.00 0.00 O ATOM 291 CB LEU A 17 -1.571 -5.881 5.225 1.00 0.00 C ATOM 292 CG LEU A 17 -2.264 -4.651 4.637 1.00 0.00 C ATOM 293 CD1 LEU A 17 -1.313 -3.464 4.612 1.00 0.00 C ATOM 294 CD2 LEU A 17 -2.784 -4.949 3.239 1.00 0.00 C ATOM 0 H LEU A 17 -2.521 -5.906 7.550 1.00 0.00 H new ATOM 0 HA LEU A 17 -3.307 -7.136 5.041 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.926 -5.555 6.041 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.924 -6.310 4.460 1.00 0.00 H new ATOM 0 HG LEU A 17 -3.113 -4.398 5.272 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.823 -2.598 4.190 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.989 -3.236 5.627 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.444 -3.707 4.000 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.274 -4.062 2.836 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.952 -5.228 2.593 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.500 -5.770 3.284 1.00 0.00 H new ATOM 306 N PRO A 18 -1.779 -9.125 4.836 1.00 0.00 N ATOM 307 CA PRO A 18 -1.086 -10.416 4.810 1.00 0.00 C ATOM 308 C PRO A 18 0.428 -10.260 4.720 1.00 0.00 C ATOM 309 O PRO A 18 1.004 -10.310 3.634 1.00 0.00 O ATOM 310 CB PRO A 18 -1.630 -11.086 3.546 1.00 0.00 C ATOM 311 CG PRO A 18 -2.051 -9.957 2.670 1.00 0.00 C ATOM 312 CD PRO A 18 -2.531 -8.872 3.595 1.00 0.00 C ATOM 0 HA PRO A 18 -1.259 -10.989 5.721 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -0.868 -11.699 3.064 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -2.469 -11.743 3.776 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -1.220 -9.608 2.057 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -2.843 -10.267 1.988 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -2.322 -7.880 3.194 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -3.607 -8.930 3.758 1.00 0.00 H new ATOM 320 N PHE A 19 1.068 -10.071 5.870 1.00 0.00 N ATOM 321 CA PHE A 19 2.516 -9.907 5.921 1.00 0.00 C ATOM 322 C PHE A 19 3.209 -10.911 5.005 1.00 0.00 C ATOM 323 O PHE A 19 4.305 -10.657 4.504 1.00 0.00 O ATOM 324 CB PHE A 19 3.019 -10.076 7.356 1.00 0.00 C ATOM 325 CG PHE A 19 2.342 -11.189 8.102 1.00 0.00 C ATOM 326 CD1 PHE A 19 2.845 -12.479 8.054 1.00 0.00 C ATOM 327 CD2 PHE A 19 1.201 -10.946 8.850 1.00 0.00 C ATOM 328 CE1 PHE A 19 2.224 -13.506 8.740 1.00 0.00 C ATOM 329 CE2 PHE A 19 0.576 -11.969 9.538 1.00 0.00 C ATOM 330 CZ PHE A 19 1.087 -13.251 9.482 1.00 0.00 C ATOM 0 H PHE A 19 0.606 -10.028 6.779 1.00 0.00 H new ATOM 0 HA PHE A 19 2.756 -8.901 5.576 1.00 0.00 H new ATOM 0 HB2 PHE A 19 4.093 -10.263 7.336 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.868 -9.142 7.898 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.733 -12.685 7.474 1.00 0.00 H new ATOM 0 HD2 PHE A 19 0.796 -9.946 8.896 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.627 -14.507 8.696 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -0.311 -11.766 10.119 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.599 -14.052 10.017 1.00 0.00 H new ATOM 340 N SER A 20 2.563 -12.052 4.790 1.00 0.00 N ATOM 341 CA SER A 20 3.119 -13.097 3.939 1.00 0.00 C ATOM 342 C SER A 20 3.725 -12.500 2.672 1.00 0.00 C ATOM 343 O SER A 20 4.680 -13.040 2.113 1.00 0.00 O ATOM 344 CB SER A 20 2.036 -14.113 3.570 1.00 0.00 C ATOM 345 OG SER A 20 2.605 -15.371 3.250 1.00 0.00 O ATOM 0 H SER A 20 1.654 -12.276 5.194 1.00 0.00 H new ATOM 0 HA SER A 20 3.908 -13.603 4.495 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.340 -14.226 4.401 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.461 -13.744 2.721 1.00 0.00 H new ATOM 0 HG SER A 20 1.893 -16.003 3.019 1.00 0.00 H new ATOM 351 N LEU A 21 3.162 -11.383 2.225 1.00 0.00 N ATOM 352 CA LEU A 21 3.646 -10.711 1.023 1.00 0.00 C ATOM 353 C LEU A 21 4.876 -9.863 1.332 1.00 0.00 C ATOM 354 O LEU A 21 5.355 -9.833 2.466 1.00 0.00 O ATOM 355 CB LEU A 21 2.544 -9.834 0.427 1.00 0.00 C ATOM 356 CG LEU A 21 1.146 -10.452 0.378 1.00 0.00 C ATOM 357 CD1 LEU A 21 0.149 -9.472 -0.219 1.00 0.00 C ATOM 358 CD2 LEU A 21 1.165 -11.749 -0.418 1.00 0.00 C ATOM 0 H LEU A 21 2.371 -10.923 2.676 1.00 0.00 H new ATOM 0 HA LEU A 21 3.927 -11.474 0.297 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.491 -8.910 1.003 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.834 -9.560 -0.587 1.00 0.00 H new ATOM 0 HG LEU A 21 0.834 -10.679 1.397 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.840 -9.930 -0.246 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.115 -8.570 0.392 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.456 -9.213 -1.232 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.162 -12.175 -0.443 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.498 -11.546 -1.436 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.848 -12.455 0.054 1.00 0.00 H new ATOM 370 N THR A 22 5.382 -9.173 0.315 1.00 0.00 N ATOM 371 CA THR A 22 6.555 -8.323 0.477 1.00 0.00 C ATOM 372 C THR A 22 6.287 -6.912 -0.034 1.00 0.00 C ATOM 373 O THR A 22 5.350 -6.687 -0.799 1.00 0.00 O ATOM 374 CB THR A 22 7.775 -8.902 -0.264 1.00 0.00 C ATOM 375 OG1 THR A 22 8.972 -8.253 0.180 1.00 0.00 O ATOM 376 CG2 THR A 22 7.627 -8.729 -1.768 1.00 0.00 C ATOM 0 H THR A 22 4.998 -9.186 -0.630 1.00 0.00 H new ATOM 0 HA THR A 22 6.772 -8.285 1.544 1.00 0.00 H new ATOM 0 HB THR A 22 7.835 -9.967 -0.041 1.00 0.00 H new ATOM 0 HG1 THR A 22 9.743 -8.628 -0.295 1.00 0.00 H new ATOM 0 HG21 THR A 22 8.500 -9.145 -2.270 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.731 -9.249 -2.108 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.543 -7.669 -2.006 1.00 0.00 H new ATOM 384 N ASN A 23 7.117 -5.965 0.393 1.00 0.00 N ATOM 385 CA ASN A 23 6.968 -4.575 -0.023 1.00 0.00 C ATOM 386 C ASN A 23 6.534 -4.487 -1.482 1.00 0.00 C ATOM 387 O ASN A 23 5.594 -3.769 -1.818 1.00 0.00 O ATOM 388 CB ASN A 23 8.283 -3.819 0.177 1.00 0.00 C ATOM 389 CG ASN A 23 8.882 -4.051 1.551 1.00 0.00 C ATOM 390 OD1 ASN A 23 9.147 -5.189 1.940 1.00 0.00 O ATOM 391 ND2 ASN A 23 9.097 -2.971 2.293 1.00 0.00 N ATOM 0 H ASN A 23 7.899 -6.135 1.026 1.00 0.00 H new ATOM 0 HA ASN A 23 6.195 -4.117 0.594 1.00 0.00 H new ATOM 0 HB2 ASN A 23 8.997 -4.131 -0.585 1.00 0.00 H new ATOM 0 HB3 ASN A 23 8.111 -2.752 0.035 1.00 0.00 H new ATOM 0 HD21 ASN A 23 9.497 -3.065 3.226 1.00 0.00 H new ATOM 0 HD22 ASN A 23 8.862 -2.047 1.929 1.00 0.00 H new ATOM 398 N ASN A 24 7.226 -5.224 -2.346 1.00 0.00 N ATOM 399 CA ASN A 24 6.913 -5.229 -3.770 1.00 0.00 C ATOM 400 C ASN A 24 5.439 -5.550 -4.001 1.00 0.00 C ATOM 401 O ASN A 24 4.730 -4.807 -4.680 1.00 0.00 O ATOM 402 CB ASN A 24 7.789 -6.246 -4.503 1.00 0.00 C ATOM 403 CG ASN A 24 7.332 -6.483 -5.929 1.00 0.00 C ATOM 404 OD1 ASN A 24 7.767 -5.796 -6.854 1.00 0.00 O ATOM 405 ND2 ASN A 24 6.449 -7.457 -6.113 1.00 0.00 N ATOM 0 H ASN A 24 8.007 -5.825 -2.084 1.00 0.00 H new ATOM 0 HA ASN A 24 7.117 -4.234 -4.165 1.00 0.00 H new ATOM 0 HB2 ASN A 24 8.821 -5.895 -4.509 1.00 0.00 H new ATOM 0 HB3 ASN A 24 7.777 -7.190 -3.959 1.00 0.00 H new ATOM 0 HD21 ASN A 24 6.103 -7.662 -7.051 1.00 0.00 H new ATOM 0 HD22 ASN A 24 6.116 -8.001 -5.317 1.00 0.00 H new ATOM 412 N ASP A 25 4.985 -6.661 -3.431 1.00 0.00 N ATOM 413 CA ASP A 25 3.596 -7.080 -3.573 1.00 0.00 C ATOM 414 C ASP A 25 2.646 -5.932 -3.249 1.00 0.00 C ATOM 415 O ASP A 25 1.855 -5.509 -4.093 1.00 0.00 O ATOM 416 CB ASP A 25 3.305 -8.273 -2.660 1.00 0.00 C ATOM 417 CG ASP A 25 3.927 -9.558 -3.171 1.00 0.00 C ATOM 418 OD1 ASP A 25 3.962 -9.751 -4.404 1.00 0.00 O ATOM 419 OD2 ASP A 25 4.379 -10.371 -2.337 1.00 0.00 O ATOM 0 H ASP A 25 5.559 -7.287 -2.866 1.00 0.00 H new ATOM 0 HA ASP A 25 3.436 -7.378 -4.609 1.00 0.00 H new ATOM 0 HB2 ASP A 25 3.683 -8.062 -1.660 1.00 0.00 H new ATOM 0 HB3 ASP A 25 2.227 -8.405 -2.572 1.00 0.00 H new ATOM 424 N LEU A 26 2.727 -5.432 -2.020 1.00 0.00 N ATOM 425 CA LEU A 26 1.874 -4.333 -1.583 1.00 0.00 C ATOM 426 C LEU A 26 1.904 -3.187 -2.590 1.00 0.00 C ATOM 427 O LEU A 26 0.859 -2.693 -3.014 1.00 0.00 O ATOM 428 CB LEU A 26 2.319 -3.831 -0.208 1.00 0.00 C ATOM 429 CG LEU A 26 2.099 -4.793 0.960 1.00 0.00 C ATOM 430 CD1 LEU A 26 2.718 -4.236 2.233 1.00 0.00 C ATOM 431 CD2 LEU A 26 0.614 -5.059 1.160 1.00 0.00 C ATOM 0 H LEU A 26 3.375 -5.771 -1.309 1.00 0.00 H new ATOM 0 HA LEU A 26 0.852 -4.705 -1.513 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.380 -3.588 -0.258 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.789 -2.903 0.007 1.00 0.00 H new ATOM 0 HG LEU A 26 2.588 -5.738 0.725 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.552 -4.934 3.054 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.789 -4.097 2.086 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.257 -3.278 2.472 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.477 -5.746 1.995 1.00 0.00 H new ATOM 0 HD22 LEU A 26 0.102 -4.121 1.373 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.198 -5.501 0.255 1.00 0.00 H new ATOM 443 N TYR A 27 3.107 -2.770 -2.968 1.00 0.00 N ATOM 444 CA TYR A 27 3.274 -1.682 -3.924 1.00 0.00 C ATOM 445 C TYR A 27 2.280 -1.812 -5.075 1.00 0.00 C ATOM 446 O TYR A 27 1.485 -0.907 -5.328 1.00 0.00 O ATOM 447 CB TYR A 27 4.703 -1.669 -4.469 1.00 0.00 C ATOM 448 CG TYR A 27 4.965 -0.551 -5.453 1.00 0.00 C ATOM 449 CD1 TYR A 27 4.360 -0.545 -6.704 1.00 0.00 C ATOM 450 CD2 TYR A 27 5.817 0.499 -5.132 1.00 0.00 C ATOM 451 CE1 TYR A 27 4.597 0.474 -7.607 1.00 0.00 C ATOM 452 CE2 TYR A 27 6.058 1.522 -6.028 1.00 0.00 C ATOM 453 CZ TYR A 27 5.447 1.505 -7.264 1.00 0.00 C ATOM 454 OH TYR A 27 5.686 2.523 -8.159 1.00 0.00 O ATOM 0 H TYR A 27 3.981 -3.169 -2.627 1.00 0.00 H new ATOM 0 HA TYR A 27 3.082 -0.743 -3.405 1.00 0.00 H new ATOM 0 HB2 TYR A 27 5.400 -1.579 -3.636 1.00 0.00 H new ATOM 0 HB3 TYR A 27 4.907 -2.624 -4.954 1.00 0.00 H new ATOM 0 HD1 TYR A 27 3.693 -1.350 -6.975 1.00 0.00 H new ATOM 0 HD2 TYR A 27 6.299 0.515 -4.166 1.00 0.00 H new ATOM 0 HE1 TYR A 27 4.120 0.463 -8.576 1.00 0.00 H new ATOM 0 HE2 TYR A 27 6.722 2.331 -5.762 1.00 0.00 H new ATOM 0 HH TYR A 27 5.499 3.385 -7.732 1.00 0.00 H new ATOM 464 N ARG A 28 2.332 -2.945 -5.768 1.00 0.00 N ATOM 465 CA ARG A 28 1.437 -3.194 -6.892 1.00 0.00 C ATOM 466 C ARG A 28 -0.007 -3.330 -6.418 1.00 0.00 C ATOM 467 O ARG A 28 -0.913 -2.703 -6.968 1.00 0.00 O ATOM 468 CB ARG A 28 1.862 -4.460 -7.639 1.00 0.00 C ATOM 469 CG ARG A 28 3.296 -4.418 -8.142 1.00 0.00 C ATOM 470 CD ARG A 28 3.785 -5.800 -8.547 1.00 0.00 C ATOM 471 NE ARG A 28 5.113 -5.754 -9.153 1.00 0.00 N ATOM 472 CZ ARG A 28 5.587 -6.701 -9.955 1.00 0.00 C ATOM 473 NH1 ARG A 28 4.846 -7.761 -10.245 1.00 0.00 N ATOM 474 NH2 ARG A 28 6.805 -6.589 -10.468 1.00 0.00 N ATOM 0 H ARG A 28 2.984 -3.704 -5.571 1.00 0.00 H new ATOM 0 HA ARG A 28 1.500 -2.342 -7.569 1.00 0.00 H new ATOM 0 HB2 ARG A 28 1.743 -5.319 -6.978 1.00 0.00 H new ATOM 0 HB3 ARG A 28 1.193 -4.614 -8.486 1.00 0.00 H new ATOM 0 HG2 ARG A 28 3.364 -3.742 -8.995 1.00 0.00 H new ATOM 0 HG3 ARG A 28 3.944 -4.015 -7.364 1.00 0.00 H new ATOM 0 HD2 ARG A 28 3.809 -6.448 -7.671 1.00 0.00 H new ATOM 0 HD3 ARG A 28 3.080 -6.242 -9.251 1.00 0.00 H new ATOM 0 HE ARG A 28 5.709 -4.951 -8.949 1.00 0.00 H new ATOM 0 HH11 ARG A 28 3.909 -7.851 -9.852 1.00 0.00 H new ATOM 0 HH12 ARG A 28 5.213 -8.486 -10.861 1.00 0.00 H new ATOM 0 HH21 ARG A 28 7.379 -5.775 -10.247 1.00 0.00 H new ATOM 0 HH22 ARG A 28 7.168 -7.317 -11.084 1.00 0.00 H new ATOM 488 N ILE A 29 -0.213 -4.154 -5.396 1.00 0.00 N ATOM 489 CA ILE A 29 -1.546 -4.372 -4.848 1.00 0.00 C ATOM 490 C ILE A 29 -2.267 -3.049 -4.614 1.00 0.00 C ATOM 491 O ILE A 29 -3.488 -2.962 -4.751 1.00 0.00 O ATOM 492 CB ILE A 29 -1.489 -5.155 -3.523 1.00 0.00 C ATOM 493 CG1 ILE A 29 -0.969 -6.573 -3.766 1.00 0.00 C ATOM 494 CG2 ILE A 29 -2.863 -5.193 -2.871 1.00 0.00 C ATOM 495 CD1 ILE A 29 -0.529 -7.279 -2.503 1.00 0.00 C ATOM 0 H ILE A 29 0.526 -4.681 -4.931 1.00 0.00 H new ATOM 0 HA ILE A 29 -2.098 -4.958 -5.583 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.802 -4.647 -2.847 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -1.751 -7.161 -4.248 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.129 -6.530 -4.460 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -2.807 -5.750 -1.936 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -3.198 -4.176 -2.668 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.571 -5.681 -3.541 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -0.172 -8.279 -2.750 1.00 0.00 H new ATOM 0 HD12 ILE A 29 0.275 -6.714 -2.031 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -1.372 -7.354 -1.816 1.00 0.00 H new ATOM 507 N PHE A 30 -1.504 -2.020 -4.260 1.00 0.00 N ATOM 508 CA PHE A 30 -2.070 -0.700 -4.007 1.00 0.00 C ATOM 509 C PHE A 30 -1.913 0.202 -5.227 1.00 0.00 C ATOM 510 O PHE A 30 -2.508 1.277 -5.299 1.00 0.00 O ATOM 511 CB PHE A 30 -1.395 -0.057 -2.793 1.00 0.00 C ATOM 512 CG PHE A 30 -1.667 -0.778 -1.504 1.00 0.00 C ATOM 513 CD1 PHE A 30 -2.937 -0.781 -0.951 1.00 0.00 C ATOM 514 CD2 PHE A 30 -0.652 -1.454 -0.846 1.00 0.00 C ATOM 515 CE1 PHE A 30 -3.189 -1.443 0.236 1.00 0.00 C ATOM 516 CE2 PHE A 30 -0.898 -2.118 0.341 1.00 0.00 C ATOM 517 CZ PHE A 30 -2.169 -2.114 0.882 1.00 0.00 C ATOM 0 H PHE A 30 -0.492 -2.075 -4.142 1.00 0.00 H new ATOM 0 HA PHE A 30 -3.134 -0.821 -3.801 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.319 -0.024 -2.961 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.736 0.974 -2.702 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.739 -0.260 -1.453 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.343 -1.462 -1.266 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -4.183 -1.436 0.658 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -0.098 -2.639 0.845 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.365 -2.634 1.808 1.00 0.00 H new ATOM 527 N SER A 31 -1.107 -0.244 -6.186 1.00 0.00 N ATOM 528 CA SER A 31 -0.868 0.524 -7.402 1.00 0.00 C ATOM 529 C SER A 31 -2.111 0.542 -8.287 1.00 0.00 C ATOM 530 O SER A 31 -2.293 1.443 -9.105 1.00 0.00 O ATOM 531 CB SER A 31 0.314 -0.062 -8.176 1.00 0.00 C ATOM 532 OG SER A 31 0.527 0.639 -9.389 1.00 0.00 O ATOM 0 H SER A 31 -0.609 -1.133 -6.144 1.00 0.00 H new ATOM 0 HA SER A 31 -0.633 1.549 -7.115 1.00 0.00 H new ATOM 0 HB2 SER A 31 1.214 -0.015 -7.562 1.00 0.00 H new ATOM 0 HB3 SER A 31 0.128 -1.115 -8.389 1.00 0.00 H new ATOM 0 HG SER A 31 1.289 0.246 -9.864 1.00 0.00 H new ATOM 538 N LYS A 32 -2.965 -0.462 -8.116 1.00 0.00 N ATOM 539 CA LYS A 32 -4.193 -0.564 -8.897 1.00 0.00 C ATOM 540 C LYS A 32 -5.073 0.665 -8.689 1.00 0.00 C ATOM 541 O LYS A 32 -5.918 0.984 -9.526 1.00 0.00 O ATOM 542 CB LYS A 32 -4.964 -1.828 -8.510 1.00 0.00 C ATOM 543 CG LYS A 32 -5.871 -1.643 -7.306 1.00 0.00 C ATOM 544 CD LYS A 32 -6.750 -2.861 -7.078 1.00 0.00 C ATOM 545 CE LYS A 32 -8.020 -2.796 -7.913 1.00 0.00 C ATOM 546 NZ LYS A 32 -8.910 -3.963 -7.661 1.00 0.00 N ATOM 0 H LYS A 32 -2.829 -1.217 -7.443 1.00 0.00 H new ATOM 0 HA LYS A 32 -3.921 -0.620 -9.951 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -5.564 -2.152 -9.360 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.253 -2.627 -8.299 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -5.266 -1.459 -6.418 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -6.498 -0.763 -7.453 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -6.194 -3.764 -7.329 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -7.011 -2.930 -6.022 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -8.557 -1.875 -7.687 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -7.758 -2.761 -8.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -9.764 -3.881 -8.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -8.407 -4.841 -7.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -9.181 -3.982 -6.657 1.00 0.00 H new ATOM 560 N TYR A 33 -4.869 1.351 -7.570 1.00 0.00 N ATOM 561 CA TYR A 33 -5.645 2.544 -7.252 1.00 0.00 C ATOM 562 C TYR A 33 -4.858 3.809 -7.581 1.00 0.00 C ATOM 563 O TYR A 33 -5.356 4.703 -8.263 1.00 0.00 O ATOM 564 CB TYR A 33 -6.037 2.544 -5.774 1.00 0.00 C ATOM 565 CG TYR A 33 -6.876 1.353 -5.370 1.00 0.00 C ATOM 566 CD1 TYR A 33 -8.184 1.215 -5.818 1.00 0.00 C ATOM 567 CD2 TYR A 33 -6.361 0.364 -4.540 1.00 0.00 C ATOM 568 CE1 TYR A 33 -8.954 0.129 -5.451 1.00 0.00 C ATOM 569 CE2 TYR A 33 -7.123 -0.726 -4.169 1.00 0.00 C ATOM 570 CZ TYR A 33 -8.420 -0.839 -4.626 1.00 0.00 C ATOM 571 OH TYR A 33 -9.183 -1.923 -4.259 1.00 0.00 O ATOM 0 H TYR A 33 -4.173 1.101 -6.868 1.00 0.00 H new ATOM 0 HA TYR A 33 -6.549 2.531 -7.861 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -5.132 2.563 -5.167 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -6.588 3.458 -5.553 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -8.606 1.970 -6.465 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -5.347 0.450 -4.179 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -9.969 0.038 -5.808 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -6.706 -1.486 -3.525 1.00 0.00 H new ATOM 0 HH TYR A 33 -8.604 -2.619 -3.885 1.00 0.00 H new ATOM 581 N GLY A 34 -3.624 3.875 -7.091 1.00 0.00 N ATOM 582 CA GLY A 34 -2.786 5.033 -7.343 1.00 0.00 C ATOM 583 C GLY A 34 -1.309 4.696 -7.324 1.00 0.00 C ATOM 584 O GLY A 34 -0.880 3.791 -6.607 1.00 0.00 O ATOM 0 H GLY A 34 -3.189 3.147 -6.524 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.045 5.461 -8.311 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.991 5.796 -6.592 1.00 0.00 H new ATOM 588 N LYS A 35 -0.527 5.423 -8.114 1.00 0.00 N ATOM 589 CA LYS A 35 0.911 5.196 -8.187 1.00 0.00 C ATOM 590 C LYS A 35 1.544 5.270 -6.801 1.00 0.00 C ATOM 591 O LYS A 35 1.324 6.225 -6.056 1.00 0.00 O ATOM 592 CB LYS A 35 1.565 6.226 -9.112 1.00 0.00 C ATOM 593 CG LYS A 35 3.082 6.154 -9.127 1.00 0.00 C ATOM 594 CD LYS A 35 3.583 5.178 -10.179 1.00 0.00 C ATOM 595 CE LYS A 35 5.082 5.316 -10.397 1.00 0.00 C ATOM 596 NZ LYS A 35 5.601 4.289 -11.342 1.00 0.00 N ATOM 0 H LYS A 35 -0.866 6.176 -8.714 1.00 0.00 H new ATOM 0 HA LYS A 35 1.076 4.197 -8.591 1.00 0.00 H new ATOM 0 HB2 LYS A 35 1.193 6.079 -10.126 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.260 7.226 -8.802 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.492 7.145 -9.323 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.443 5.849 -8.145 1.00 0.00 H new ATOM 0 HD2 LYS A 35 3.351 4.158 -9.871 1.00 0.00 H new ATOM 0 HD3 LYS A 35 3.060 5.354 -11.119 1.00 0.00 H new ATOM 0 HE2 LYS A 35 5.303 6.311 -10.784 1.00 0.00 H new ATOM 0 HE3 LYS A 35 5.598 5.224 -9.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 6.626 4.416 -11.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 5.413 3.340 -10.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 5.127 4.393 -12.262 1.00 0.00 H new ATOM 610 N VAL A 36 2.333 4.255 -6.461 1.00 0.00 N ATOM 611 CA VAL A 36 3.000 4.206 -5.165 1.00 0.00 C ATOM 612 C VAL A 36 4.456 4.641 -5.280 1.00 0.00 C ATOM 613 O VAL A 36 5.155 4.268 -6.223 1.00 0.00 O ATOM 614 CB VAL A 36 2.944 2.791 -4.559 1.00 0.00 C ATOM 615 CG1 VAL A 36 3.717 2.741 -3.250 1.00 0.00 C ATOM 616 CG2 VAL A 36 1.501 2.356 -4.353 1.00 0.00 C ATOM 0 H VAL A 36 2.526 3.456 -7.065 1.00 0.00 H new ATOM 0 HA VAL A 36 2.469 4.896 -4.509 1.00 0.00 H new ATOM 0 HB VAL A 36 3.412 2.096 -5.257 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.667 1.734 -2.836 1.00 0.00 H new ATOM 0 HG12 VAL A 36 4.758 3.007 -3.432 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.281 3.446 -2.543 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.481 1.354 -3.924 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.005 3.051 -3.675 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.982 2.351 -5.312 1.00 0.00 H new ATOM 626 N VAL A 37 4.909 5.433 -4.313 1.00 0.00 N ATOM 627 CA VAL A 37 6.284 5.919 -4.304 1.00 0.00 C ATOM 628 C VAL A 37 7.132 5.151 -3.296 1.00 0.00 C ATOM 629 O VAL A 37 8.280 4.802 -3.571 1.00 0.00 O ATOM 630 CB VAL A 37 6.346 7.422 -3.973 1.00 0.00 C ATOM 631 CG1 VAL A 37 7.790 7.874 -3.814 1.00 0.00 C ATOM 632 CG2 VAL A 37 5.639 8.234 -5.047 1.00 0.00 C ATOM 0 H VAL A 37 4.344 5.752 -3.526 1.00 0.00 H new ATOM 0 HA VAL A 37 6.683 5.759 -5.306 1.00 0.00 H new ATOM 0 HB VAL A 37 5.832 7.590 -3.027 1.00 0.00 H new ATOM 0 HG11 VAL A 37 7.814 8.938 -3.580 1.00 0.00 H new ATOM 0 HG12 VAL A 37 8.260 7.314 -3.005 1.00 0.00 H new ATOM 0 HG13 VAL A 37 8.332 7.694 -4.742 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.693 9.293 -4.797 1.00 0.00 H new ATOM 0 HG22 VAL A 37 6.122 8.064 -6.009 1.00 0.00 H new ATOM 0 HG23 VAL A 37 4.595 7.928 -5.106 1.00 0.00 H new ATOM 642 N LYS A 38 6.558 4.891 -2.126 1.00 0.00 N ATOM 643 CA LYS A 38 7.259 4.162 -1.075 1.00 0.00 C ATOM 644 C LYS A 38 6.289 3.307 -0.267 1.00 0.00 C ATOM 645 O LYS A 38 5.125 3.668 -0.091 1.00 0.00 O ATOM 646 CB LYS A 38 7.989 5.138 -0.150 1.00 0.00 C ATOM 647 CG LYS A 38 9.097 5.916 -0.838 1.00 0.00 C ATOM 648 CD LYS A 38 9.860 6.787 0.145 1.00 0.00 C ATOM 649 CE LYS A 38 10.969 7.567 -0.546 1.00 0.00 C ATOM 650 NZ LYS A 38 10.427 8.613 -1.456 1.00 0.00 N ATOM 0 H LYS A 38 5.609 5.174 -1.882 1.00 0.00 H new ATOM 0 HA LYS A 38 7.989 3.504 -1.547 1.00 0.00 H new ATOM 0 HB2 LYS A 38 7.267 5.841 0.265 1.00 0.00 H new ATOM 0 HB3 LYS A 38 8.412 4.584 0.688 1.00 0.00 H new ATOM 0 HG2 LYS A 38 9.785 5.222 -1.320 1.00 0.00 H new ATOM 0 HG3 LYS A 38 8.671 6.540 -1.624 1.00 0.00 H new ATOM 0 HD2 LYS A 38 9.172 7.481 0.628 1.00 0.00 H new ATOM 0 HD3 LYS A 38 10.287 6.163 0.930 1.00 0.00 H new ATOM 0 HE2 LYS A 38 11.607 8.034 0.205 1.00 0.00 H new ATOM 0 HE3 LYS A 38 11.596 6.880 -1.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 11.161 9.327 -1.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 10.136 8.175 -2.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 9.605 9.069 -1.011 1.00 0.00 H new ATOM 664 N VAL A 39 6.776 2.172 0.225 1.00 0.00 N ATOM 665 CA VAL A 39 5.952 1.267 1.018 1.00 0.00 C ATOM 666 C VAL A 39 6.470 1.163 2.448 1.00 0.00 C ATOM 667 O VAL A 39 7.546 0.615 2.693 1.00 0.00 O ATOM 668 CB VAL A 39 5.908 -0.142 0.396 1.00 0.00 C ATOM 669 CG1 VAL A 39 4.993 -1.052 1.201 1.00 0.00 C ATOM 670 CG2 VAL A 39 5.459 -0.069 -1.055 1.00 0.00 C ATOM 0 H VAL A 39 7.737 1.857 0.088 1.00 0.00 H new ATOM 0 HA VAL A 39 4.945 1.683 1.029 1.00 0.00 H new ATOM 0 HB VAL A 39 6.913 -0.563 0.421 1.00 0.00 H new ATOM 0 HG11 VAL A 39 4.974 -2.043 0.747 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.363 -1.128 2.223 1.00 0.00 H new ATOM 0 HG13 VAL A 39 3.985 -0.638 1.210 1.00 0.00 H new ATOM 0 HG21 VAL A 39 5.434 -1.073 -1.479 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.463 0.372 -1.106 1.00 0.00 H new ATOM 0 HG23 VAL A 39 6.158 0.546 -1.622 1.00 0.00 H new ATOM 680 N THR A 40 5.697 1.693 3.392 1.00 0.00 N ATOM 681 CA THR A 40 6.078 1.661 4.798 1.00 0.00 C ATOM 682 C THR A 40 5.323 0.568 5.547 1.00 0.00 C ATOM 683 O THR A 40 4.150 0.312 5.274 1.00 0.00 O ATOM 684 CB THR A 40 5.812 3.014 5.483 1.00 0.00 C ATOM 685 OG1 THR A 40 6.584 4.042 4.852 1.00 0.00 O ATOM 686 CG2 THR A 40 6.157 2.949 6.963 1.00 0.00 C ATOM 0 H THR A 40 4.804 2.149 3.207 1.00 0.00 H new ATOM 0 HA THR A 40 7.147 1.449 4.831 1.00 0.00 H new ATOM 0 HB THR A 40 4.751 3.244 5.384 1.00 0.00 H new ATOM 0 HG1 THR A 40 6.408 4.900 5.292 1.00 0.00 H new ATOM 0 HG21 THR A 40 5.961 3.916 7.425 1.00 0.00 H new ATOM 0 HG22 THR A 40 5.547 2.186 7.446 1.00 0.00 H new ATOM 0 HG23 THR A 40 7.211 2.698 7.080 1.00 0.00 H new ATOM 694 N ILE A 41 6.003 -0.073 6.492 1.00 0.00 N ATOM 695 CA ILE A 41 5.395 -1.136 7.281 1.00 0.00 C ATOM 696 C ILE A 41 5.706 -0.967 8.764 1.00 0.00 C ATOM 697 O ILE A 41 6.818 -0.595 9.137 1.00 0.00 O ATOM 698 CB ILE A 41 5.878 -2.525 6.822 1.00 0.00 C ATOM 699 CG1 ILE A 41 5.559 -2.735 5.340 1.00 0.00 C ATOM 700 CG2 ILE A 41 5.237 -3.615 7.667 1.00 0.00 C ATOM 701 CD1 ILE A 41 6.201 -3.973 4.754 1.00 0.00 C ATOM 0 H ILE A 41 6.975 0.126 6.729 1.00 0.00 H new ATOM 0 HA ILE A 41 4.318 -1.066 7.128 1.00 0.00 H new ATOM 0 HB ILE A 41 6.959 -2.580 6.954 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.478 -2.802 5.215 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.891 -1.862 4.778 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.588 -4.590 7.330 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.510 -3.472 8.713 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.153 -3.565 7.565 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.932 -4.059 3.701 1.00 0.00 H new ATOM 0 HD12 ILE A 41 7.285 -3.900 4.847 1.00 0.00 H new ATOM 0 HD13 ILE A 41 5.850 -4.854 5.291 1.00 0.00 H new ATOM 713 N MET A 42 4.717 -1.246 9.607 1.00 0.00 N ATOM 714 CA MET A 42 4.887 -1.127 11.050 1.00 0.00 C ATOM 715 C MET A 42 5.610 -2.346 11.614 1.00 0.00 C ATOM 716 O MET A 42 5.572 -3.429 11.030 1.00 0.00 O ATOM 717 CB MET A 42 3.527 -0.965 11.734 1.00 0.00 C ATOM 718 CG MET A 42 2.924 0.420 11.566 1.00 0.00 C ATOM 719 SD MET A 42 3.714 1.654 12.617 1.00 0.00 S ATOM 720 CE MET A 42 3.349 3.155 11.711 1.00 0.00 C ATOM 0 H MET A 42 3.790 -1.556 9.316 1.00 0.00 H new ATOM 0 HA MET A 42 5.493 -0.243 11.248 1.00 0.00 H new ATOM 0 HB2 MET A 42 2.836 -1.705 11.330 1.00 0.00 H new ATOM 0 HB3 MET A 42 3.636 -1.178 12.797 1.00 0.00 H new ATOM 0 HG2 MET A 42 3.012 0.726 10.524 1.00 0.00 H new ATOM 0 HG3 MET A 42 1.860 0.379 11.797 1.00 0.00 H new ATOM 0 HE1 MET A 42 4.106 3.907 11.933 1.00 0.00 H new ATOM 0 HE2 MET A 42 3.350 2.944 10.642 1.00 0.00 H new ATOM 0 HE3 MET A 42 2.369 3.529 12.006 1.00 0.00 H new ATOM 730 N LYS A 43 6.269 -2.162 12.753 1.00 0.00 N ATOM 731 CA LYS A 43 7.001 -3.247 13.398 1.00 0.00 C ATOM 732 C LYS A 43 7.069 -3.035 14.907 1.00 0.00 C ATOM 733 O LYS A 43 7.643 -2.054 15.380 1.00 0.00 O ATOM 734 CB LYS A 43 8.415 -3.348 12.822 1.00 0.00 C ATOM 735 CG LYS A 43 8.524 -4.296 11.640 1.00 0.00 C ATOM 736 CD LYS A 43 9.611 -3.859 10.673 1.00 0.00 C ATOM 737 CE LYS A 43 9.141 -2.715 9.787 1.00 0.00 C ATOM 738 NZ LYS A 43 9.793 -2.747 8.448 1.00 0.00 N ATOM 0 H LYS A 43 6.312 -1.272 13.249 1.00 0.00 H new ATOM 0 HA LYS A 43 6.469 -4.178 13.203 1.00 0.00 H new ATOM 0 HB2 LYS A 43 8.744 -2.356 12.513 1.00 0.00 H new ATOM 0 HB3 LYS A 43 9.095 -3.679 13.607 1.00 0.00 H new ATOM 0 HG2 LYS A 43 8.738 -5.303 11.999 1.00 0.00 H new ATOM 0 HG3 LYS A 43 7.568 -4.340 11.118 1.00 0.00 H new ATOM 0 HD2 LYS A 43 10.494 -3.549 11.232 1.00 0.00 H new ATOM 0 HD3 LYS A 43 9.908 -4.704 10.052 1.00 0.00 H new ATOM 0 HE2 LYS A 43 8.059 -2.770 9.666 1.00 0.00 H new ATOM 0 HE3 LYS A 43 9.359 -1.765 10.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 9.447 -1.952 7.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 10.824 -2.669 8.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 9.564 -3.643 7.972 1.00 0.00 H new ATOM 752 N ASP A 44 6.482 -3.962 15.656 1.00 0.00 N ATOM 753 CA ASP A 44 6.479 -3.878 17.112 1.00 0.00 C ATOM 754 C ASP A 44 7.903 -3.827 17.657 1.00 0.00 C ATOM 755 O ASP A 44 8.871 -3.807 16.895 1.00 0.00 O ATOM 756 CB ASP A 44 5.734 -5.072 17.711 1.00 0.00 C ATOM 757 CG ASP A 44 5.228 -4.794 19.113 1.00 0.00 C ATOM 758 OD1 ASP A 44 4.300 -3.971 19.257 1.00 0.00 O ATOM 759 OD2 ASP A 44 5.761 -5.399 20.067 1.00 0.00 O ATOM 0 H ASP A 44 6.002 -4.780 15.279 1.00 0.00 H new ATOM 0 HA ASP A 44 5.967 -2.959 17.397 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.892 -5.331 17.069 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.397 -5.937 17.732 1.00 0.00 H new ATOM 764 N LYS A 45 8.025 -3.803 18.980 1.00 0.00 N ATOM 765 CA LYS A 45 9.330 -3.754 19.628 1.00 0.00 C ATOM 766 C LYS A 45 9.646 -5.078 20.316 1.00 0.00 C ATOM 767 O LYS A 45 10.785 -5.326 20.712 1.00 0.00 O ATOM 768 CB LYS A 45 9.373 -2.614 20.648 1.00 0.00 C ATOM 769 CG LYS A 45 10.764 -2.043 20.863 1.00 0.00 C ATOM 770 CD LYS A 45 10.710 -0.574 21.250 1.00 0.00 C ATOM 771 CE LYS A 45 10.755 0.327 20.026 1.00 0.00 C ATOM 772 NZ LYS A 45 11.399 1.636 20.324 1.00 0.00 N ATOM 0 H LYS A 45 7.235 -3.817 19.625 1.00 0.00 H new ATOM 0 HA LYS A 45 10.083 -3.575 18.860 1.00 0.00 H new ATOM 0 HB2 LYS A 45 8.709 -1.816 20.317 1.00 0.00 H new ATOM 0 HB3 LYS A 45 8.986 -2.975 21.601 1.00 0.00 H new ATOM 0 HG2 LYS A 45 11.273 -2.608 21.644 1.00 0.00 H new ATOM 0 HG3 LYS A 45 11.351 -2.159 19.952 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.798 -0.378 21.814 1.00 0.00 H new ATOM 0 HD3 LYS A 45 11.547 -0.339 21.907 1.00 0.00 H new ATOM 0 HE2 LYS A 45 11.302 -0.173 19.227 1.00 0.00 H new ATOM 0 HE3 LYS A 45 9.742 0.495 19.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 11.410 2.221 19.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 10.863 2.125 21.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 12.375 1.477 20.647 1.00 0.00 H new ATOM 786 N ASP A 46 8.632 -5.925 20.454 1.00 0.00 N ATOM 787 CA ASP A 46 8.803 -7.225 21.092 1.00 0.00 C ATOM 788 C ASP A 46 8.829 -8.341 20.053 1.00 0.00 C ATOM 789 O ASP A 46 9.884 -8.899 19.750 1.00 0.00 O ATOM 790 CB ASP A 46 7.678 -7.474 22.098 1.00 0.00 C ATOM 791 CG ASP A 46 7.836 -6.648 23.359 1.00 0.00 C ATOM 792 OD1 ASP A 46 7.742 -5.405 23.270 1.00 0.00 O ATOM 793 OD2 ASP A 46 8.051 -7.243 24.435 1.00 0.00 O ATOM 0 H ASP A 46 7.683 -5.735 20.133 1.00 0.00 H new ATOM 0 HA ASP A 46 9.757 -7.222 21.619 1.00 0.00 H new ATOM 0 HB2 ASP A 46 6.720 -7.242 21.632 1.00 0.00 H new ATOM 0 HB3 ASP A 46 7.657 -8.532 22.360 1.00 0.00 H new ATOM 798 N THR A 47 7.659 -8.664 19.509 1.00 0.00 N ATOM 799 CA THR A 47 7.547 -9.715 18.505 1.00 0.00 C ATOM 800 C THR A 47 8.310 -9.348 17.237 1.00 0.00 C ATOM 801 O THR A 47 8.722 -10.222 16.474 1.00 0.00 O ATOM 802 CB THR A 47 6.076 -9.992 18.143 1.00 0.00 C ATOM 803 OG1 THR A 47 5.464 -8.802 17.635 1.00 0.00 O ATOM 804 CG2 THR A 47 5.304 -10.486 19.358 1.00 0.00 C ATOM 0 H THR A 47 6.776 -8.213 19.747 1.00 0.00 H new ATOM 0 HA THR A 47 7.982 -10.615 18.940 1.00 0.00 H new ATOM 0 HB THR A 47 6.053 -10.767 17.377 1.00 0.00 H new ATOM 0 HG1 THR A 47 4.529 -8.987 17.406 1.00 0.00 H new ATOM 0 HG21 THR A 47 4.268 -10.675 19.078 1.00 0.00 H new ATOM 0 HG22 THR A 47 5.755 -11.408 19.725 1.00 0.00 H new ATOM 0 HG23 THR A 47 5.336 -9.729 20.142 1.00 0.00 H new ATOM 812 N ARG A 48 8.495 -8.050 17.018 1.00 0.00 N ATOM 813 CA ARG A 48 9.208 -7.568 15.842 1.00 0.00 C ATOM 814 C ARG A 48 8.522 -8.035 14.561 1.00 0.00 C ATOM 815 O ARG A 48 9.180 -8.328 13.562 1.00 0.00 O ATOM 816 CB ARG A 48 10.658 -8.055 15.863 1.00 0.00 C ATOM 817 CG ARG A 48 11.502 -7.411 16.951 1.00 0.00 C ATOM 818 CD ARG A 48 12.983 -7.458 16.609 1.00 0.00 C ATOM 819 NE ARG A 48 13.822 -7.193 17.775 1.00 0.00 N ATOM 820 CZ ARG A 48 13.944 -5.995 18.335 1.00 0.00 C ATOM 821 NH1 ARG A 48 13.284 -4.957 17.840 1.00 0.00 N ATOM 822 NH2 ARG A 48 14.727 -5.833 19.394 1.00 0.00 N ATOM 0 H ARG A 48 8.161 -7.314 17.640 1.00 0.00 H new ATOM 0 HA ARG A 48 9.198 -6.478 15.863 1.00 0.00 H new ATOM 0 HB2 ARG A 48 10.667 -9.136 16.000 1.00 0.00 H new ATOM 0 HB3 ARG A 48 11.114 -7.853 14.894 1.00 0.00 H new ATOM 0 HG2 ARG A 48 11.192 -6.375 17.088 1.00 0.00 H new ATOM 0 HG3 ARG A 48 11.330 -7.923 17.898 1.00 0.00 H new ATOM 0 HD2 ARG A 48 13.230 -8.438 16.200 1.00 0.00 H new ATOM 0 HD3 ARG A 48 13.199 -6.724 15.832 1.00 0.00 H new ATOM 0 HE ARG A 48 14.343 -7.970 18.181 1.00 0.00 H new ATOM 0 HH11 ARG A 48 12.680 -5.077 17.027 1.00 0.00 H new ATOM 0 HH12 ARG A 48 13.380 -4.038 18.273 1.00 0.00 H new ATOM 0 HH21 ARG A 48 15.236 -6.629 19.779 1.00 0.00 H new ATOM 0 HH22 ARG A 48 14.820 -4.912 19.823 1.00 0.00 H new ATOM 836 N LYS A 49 7.196 -8.102 14.597 1.00 0.00 N ATOM 837 CA LYS A 49 6.419 -8.532 13.441 1.00 0.00 C ATOM 838 C LYS A 49 5.625 -7.368 12.855 1.00 0.00 C ATOM 839 O LYS A 49 5.388 -6.365 13.529 1.00 0.00 O ATOM 840 CB LYS A 49 5.469 -9.666 13.832 1.00 0.00 C ATOM 841 CG LYS A 49 6.148 -10.796 14.584 1.00 0.00 C ATOM 842 CD LYS A 49 7.117 -11.556 13.694 1.00 0.00 C ATOM 843 CE LYS A 49 6.394 -12.251 12.550 1.00 0.00 C ATOM 844 NZ LYS A 49 7.308 -13.128 11.767 1.00 0.00 N ATOM 0 H LYS A 49 6.636 -7.864 15.416 1.00 0.00 H new ATOM 0 HA LYS A 49 7.113 -8.893 12.682 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.667 -9.260 14.449 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.006 -10.067 12.931 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.683 -10.392 15.444 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.394 -11.481 14.971 1.00 0.00 H new ATOM 0 HD2 LYS A 49 7.860 -10.867 13.292 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.656 -12.295 14.288 1.00 0.00 H new ATOM 0 HE2 LYS A 49 5.572 -12.846 12.948 1.00 0.00 H new ATOM 0 HE3 LYS A 49 5.955 -11.503 11.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 6.777 -13.583 10.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 8.078 -12.556 11.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 7.708 -13.858 12.391 1.00 0.00 H new ATOM 858 N SER A 50 5.216 -7.509 11.599 1.00 0.00 N ATOM 859 CA SER A 50 4.451 -6.469 10.922 1.00 0.00 C ATOM 860 C SER A 50 3.055 -6.342 11.525 1.00 0.00 C ATOM 861 O SER A 50 2.501 -5.246 11.614 1.00 0.00 O ATOM 862 CB SER A 50 4.347 -6.773 9.427 1.00 0.00 C ATOM 863 OG SER A 50 3.481 -5.857 8.779 1.00 0.00 O ATOM 0 H SER A 50 5.402 -8.334 11.029 1.00 0.00 H new ATOM 0 HA SER A 50 4.974 -5.522 11.057 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.337 -6.725 8.973 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.979 -7.789 9.284 1.00 0.00 H new ATOM 0 HG SER A 50 3.433 -6.072 7.824 1.00 0.00 H new ATOM 869 N LYS A 51 2.492 -7.472 11.939 1.00 0.00 N ATOM 870 CA LYS A 51 1.161 -7.490 12.535 1.00 0.00 C ATOM 871 C LYS A 51 0.119 -6.957 11.557 1.00 0.00 C ATOM 872 O LYS A 51 -0.933 -6.465 11.963 1.00 0.00 O ATOM 873 CB LYS A 51 1.144 -6.658 13.820 1.00 0.00 C ATOM 874 CG LYS A 51 2.385 -6.838 14.677 1.00 0.00 C ATOM 875 CD LYS A 51 2.440 -5.815 15.799 1.00 0.00 C ATOM 876 CE LYS A 51 2.853 -4.444 15.284 1.00 0.00 C ATOM 877 NZ LYS A 51 2.737 -3.398 16.337 1.00 0.00 N ATOM 0 H LYS A 51 2.937 -8.388 11.873 1.00 0.00 H new ATOM 0 HA LYS A 51 0.912 -8.524 12.775 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.042 -5.604 13.560 1.00 0.00 H new ATOM 0 HB3 LYS A 51 0.266 -6.928 14.406 1.00 0.00 H new ATOM 0 HG2 LYS A 51 2.395 -7.843 15.099 1.00 0.00 H new ATOM 0 HG3 LYS A 51 3.275 -6.745 14.055 1.00 0.00 H new ATOM 0 HD2 LYS A 51 1.463 -5.746 16.278 1.00 0.00 H new ATOM 0 HD3 LYS A 51 3.146 -6.146 16.561 1.00 0.00 H new ATOM 0 HE2 LYS A 51 3.881 -4.486 14.925 1.00 0.00 H new ATOM 0 HE3 LYS A 51 2.229 -4.173 14.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 3.122 -2.501 15.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 1.736 -3.269 16.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 3.271 -3.693 17.179 1.00 0.00 H new ATOM 891 N GLY A 52 0.419 -7.059 10.266 1.00 0.00 N ATOM 892 CA GLY A 52 -0.503 -6.583 9.251 1.00 0.00 C ATOM 893 C GLY A 52 -0.454 -5.078 9.082 1.00 0.00 C ATOM 894 O GLY A 52 -0.556 -4.567 7.967 1.00 0.00 O ATOM 0 H GLY A 52 1.283 -7.462 9.905 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.268 -7.060 8.299 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.517 -6.883 9.516 1.00 0.00 H new ATOM 898 N VAL A 53 -0.299 -4.364 10.193 1.00 0.00 N ATOM 899 CA VAL A 53 -0.238 -2.908 10.164 1.00 0.00 C ATOM 900 C VAL A 53 0.855 -2.423 9.219 1.00 0.00 C ATOM 901 O VAL A 53 2.042 -2.643 9.461 1.00 0.00 O ATOM 902 CB VAL A 53 0.018 -2.329 11.568 1.00 0.00 C ATOM 903 CG1 VAL A 53 -0.299 -0.842 11.599 1.00 0.00 C ATOM 904 CG2 VAL A 53 -0.798 -3.078 12.610 1.00 0.00 C ATOM 0 H VAL A 53 -0.213 -4.771 11.124 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.206 -2.557 9.806 1.00 0.00 H new ATOM 0 HB VAL A 53 1.074 -2.456 11.807 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -0.112 -0.451 12.599 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.334 -0.320 10.881 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.346 -0.688 11.339 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -0.605 -2.656 13.596 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -1.859 -2.985 12.377 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -0.516 -4.131 12.605 1.00 0.00 H new ATOM 914 N ALA A 54 0.447 -1.761 8.141 1.00 0.00 N ATOM 915 CA ALA A 54 1.392 -1.242 7.160 1.00 0.00 C ATOM 916 C ALA A 54 0.907 0.081 6.577 1.00 0.00 C ATOM 917 O ALA A 54 -0.291 0.283 6.382 1.00 0.00 O ATOM 918 CB ALA A 54 1.613 -2.260 6.051 1.00 0.00 C ATOM 0 H ALA A 54 -0.532 -1.572 7.925 1.00 0.00 H new ATOM 0 HA ALA A 54 2.340 -1.060 7.666 1.00 0.00 H new ATOM 0 HB1 ALA A 54 2.321 -1.860 5.325 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.012 -3.181 6.477 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.665 -2.470 5.556 1.00 0.00 H new ATOM 924 N PHE A 55 1.846 0.981 6.303 1.00 0.00 N ATOM 925 CA PHE A 55 1.514 2.286 5.745 1.00 0.00 C ATOM 926 C PHE A 55 1.950 2.380 4.285 1.00 0.00 C ATOM 927 O PHE A 55 3.107 2.119 3.954 1.00 0.00 O ATOM 928 CB PHE A 55 2.179 3.397 6.560 1.00 0.00 C ATOM 929 CG PHE A 55 1.575 3.585 7.922 1.00 0.00 C ATOM 930 CD1 PHE A 55 1.612 2.563 8.857 1.00 0.00 C ATOM 931 CD2 PHE A 55 0.969 4.783 8.267 1.00 0.00 C ATOM 932 CE1 PHE A 55 1.057 2.733 10.112 1.00 0.00 C ATOM 933 CE2 PHE A 55 0.414 4.958 9.520 1.00 0.00 C ATOM 934 CZ PHE A 55 0.456 3.931 10.443 1.00 0.00 C ATOM 0 H PHE A 55 2.843 0.830 6.458 1.00 0.00 H new ATOM 0 HA PHE A 55 0.432 2.409 5.792 1.00 0.00 H new ATOM 0 HB2 PHE A 55 3.240 3.171 6.670 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.108 4.334 6.008 1.00 0.00 H new ATOM 0 HD1 PHE A 55 2.080 1.623 8.603 1.00 0.00 H new ATOM 0 HD2 PHE A 55 0.930 5.588 7.548 1.00 0.00 H new ATOM 0 HE1 PHE A 55 1.094 1.929 10.833 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -0.053 5.897 9.778 1.00 0.00 H new ATOM 0 HZ PHE A 55 0.019 4.065 11.422 1.00 0.00 H new ATOM 944 N ILE A 56 1.015 2.754 3.418 1.00 0.00 N ATOM 945 CA ILE A 56 1.302 2.882 1.995 1.00 0.00 C ATOM 946 C ILE A 56 1.362 4.348 1.576 1.00 0.00 C ATOM 947 O ILE A 56 0.387 5.086 1.722 1.00 0.00 O ATOM 948 CB ILE A 56 0.246 2.158 1.139 1.00 0.00 C ATOM 949 CG1 ILE A 56 0.158 0.684 1.539 1.00 0.00 C ATOM 950 CG2 ILE A 56 0.578 2.293 -0.339 1.00 0.00 C ATOM 951 CD1 ILE A 56 1.488 -0.035 1.495 1.00 0.00 C ATOM 0 H ILE A 56 0.053 2.973 3.676 1.00 0.00 H new ATOM 0 HA ILE A 56 2.274 2.418 1.827 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.724 2.622 1.316 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.251 0.613 2.547 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.542 0.177 0.875 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -0.178 1.776 -0.930 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.594 3.348 -0.613 1.00 0.00 H new ATOM 0 HG23 ILE A 56 1.556 1.852 -0.534 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.349 -1.075 1.791 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.889 0.004 0.482 1.00 0.00 H new ATOM 0 HD13 ILE A 56 2.185 0.447 2.180 1.00 0.00 H new ATOM 963 N LEU A 57 2.510 4.762 1.053 1.00 0.00 N ATOM 964 CA LEU A 57 2.697 6.139 0.611 1.00 0.00 C ATOM 965 C LEU A 57 2.288 6.302 -0.849 1.00 0.00 C ATOM 966 O LEU A 57 2.804 5.615 -1.731 1.00 0.00 O ATOM 967 CB LEU A 57 4.156 6.561 0.794 1.00 0.00 C ATOM 968 CG LEU A 57 4.421 8.067 0.823 1.00 0.00 C ATOM 969 CD1 LEU A 57 5.783 8.357 1.433 1.00 0.00 C ATOM 970 CD2 LEU A 57 4.326 8.652 -0.579 1.00 0.00 C ATOM 0 H LEU A 57 3.326 4.164 0.924 1.00 0.00 H new ATOM 0 HA LEU A 57 2.061 6.780 1.221 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.524 6.130 1.725 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.744 6.124 -0.014 1.00 0.00 H new ATOM 0 HG LEU A 57 3.660 8.539 1.444 1.00 0.00 H new ATOM 0 HD11 LEU A 57 5.954 9.433 1.445 1.00 0.00 H new ATOM 0 HD12 LEU A 57 5.814 7.973 2.453 1.00 0.00 H new ATOM 0 HD13 LEU A 57 6.558 7.873 0.839 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.517 9.724 -0.540 1.00 0.00 H new ATOM 0 HD22 LEU A 57 5.065 8.175 -1.223 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.328 8.476 -0.980 1.00 0.00 H new ATOM 982 N PHE A 58 1.358 7.218 -1.099 1.00 0.00 N ATOM 983 CA PHE A 58 0.880 7.473 -2.453 1.00 0.00 C ATOM 984 C PHE A 58 1.457 8.777 -2.997 1.00 0.00 C ATOM 985 O PHE A 58 1.866 9.654 -2.235 1.00 0.00 O ATOM 986 CB PHE A 58 -0.649 7.530 -2.475 1.00 0.00 C ATOM 987 CG PHE A 58 -1.301 6.187 -2.314 1.00 0.00 C ATOM 988 CD1 PHE A 58 -1.364 5.577 -1.071 1.00 0.00 C ATOM 989 CD2 PHE A 58 -1.852 5.535 -3.405 1.00 0.00 C ATOM 990 CE1 PHE A 58 -1.963 4.341 -0.920 1.00 0.00 C ATOM 991 CE2 PHE A 58 -2.453 4.298 -3.260 1.00 0.00 C ATOM 992 CZ PHE A 58 -2.509 3.701 -2.016 1.00 0.00 C ATOM 0 H PHE A 58 0.920 7.796 -0.382 1.00 0.00 H new ATOM 0 HA PHE A 58 1.215 6.654 -3.090 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -0.992 8.189 -1.677 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -0.975 7.973 -3.416 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -0.940 6.073 -0.211 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -1.812 5.998 -4.380 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -2.004 3.876 0.054 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -2.878 3.799 -4.119 1.00 0.00 H new ATOM 0 HZ PHE A 58 -2.979 2.735 -1.900 1.00 0.00 H new ATOM 1002 N LEU A 59 1.486 8.898 -4.320 1.00 0.00 N ATOM 1003 CA LEU A 59 2.013 10.094 -4.967 1.00 0.00 C ATOM 1004 C LEU A 59 1.074 11.279 -4.768 1.00 0.00 C ATOM 1005 O LEU A 59 1.490 12.343 -4.310 1.00 0.00 O ATOM 1006 CB LEU A 59 2.221 9.839 -6.461 1.00 0.00 C ATOM 1007 CG LEU A 59 3.185 10.786 -7.176 1.00 0.00 C ATOM 1008 CD1 LEU A 59 4.612 10.552 -6.703 1.00 0.00 C ATOM 1009 CD2 LEU A 59 3.086 10.611 -8.684 1.00 0.00 C ATOM 0 H LEU A 59 1.151 8.183 -4.965 1.00 0.00 H new ATOM 0 HA LEU A 59 2.972 10.333 -4.508 1.00 0.00 H new ATOM 0 HB2 LEU A 59 2.584 8.819 -6.588 1.00 0.00 H new ATOM 0 HB3 LEU A 59 1.252 9.896 -6.957 1.00 0.00 H new ATOM 0 HG LEU A 59 2.906 11.811 -6.931 1.00 0.00 H new ATOM 0 HD11 LEU A 59 5.284 11.235 -7.223 1.00 0.00 H new ATOM 0 HD12 LEU A 59 4.673 10.730 -5.629 1.00 0.00 H new ATOM 0 HD13 LEU A 59 4.902 9.524 -6.918 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.779 11.293 -9.176 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.338 9.584 -8.948 1.00 0.00 H new ATOM 0 HD23 LEU A 59 2.069 10.830 -9.010 1.00 0.00 H new ATOM 1021 N ASP A 60 -0.194 11.087 -5.115 1.00 0.00 N ATOM 1022 CA ASP A 60 -1.194 12.139 -4.971 1.00 0.00 C ATOM 1023 C ASP A 60 -2.258 11.743 -3.953 1.00 0.00 C ATOM 1024 O ASP A 60 -2.773 10.624 -3.980 1.00 0.00 O ATOM 1025 CB ASP A 60 -1.848 12.439 -6.321 1.00 0.00 C ATOM 1026 CG ASP A 60 -2.953 13.471 -6.212 1.00 0.00 C ATOM 1027 OD1 ASP A 60 -3.354 13.793 -5.075 1.00 0.00 O ATOM 1028 OD2 ASP A 60 -3.418 13.956 -7.265 1.00 0.00 O ATOM 0 H ASP A 60 -0.554 10.213 -5.498 1.00 0.00 H new ATOM 0 HA ASP A 60 -0.691 13.037 -4.612 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -1.089 12.795 -7.018 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -2.255 11.517 -6.737 1.00 0.00 H new ATOM 1033 N LYS A 61 -2.584 12.665 -3.054 1.00 0.00 N ATOM 1034 CA LYS A 61 -3.587 12.413 -2.026 1.00 0.00 C ATOM 1035 C LYS A 61 -4.900 11.950 -2.649 1.00 0.00 C ATOM 1036 O LYS A 61 -5.530 11.010 -2.165 1.00 0.00 O ATOM 1037 CB LYS A 61 -3.822 13.676 -1.194 1.00 0.00 C ATOM 1038 CG LYS A 61 -4.670 14.720 -1.900 1.00 0.00 C ATOM 1039 CD LYS A 61 -4.562 16.076 -1.222 1.00 0.00 C ATOM 1040 CE LYS A 61 -5.192 16.059 0.162 1.00 0.00 C ATOM 1041 NZ LYS A 61 -5.226 17.416 0.774 1.00 0.00 N ATOM 0 H LYS A 61 -2.167 13.595 -3.016 1.00 0.00 H new ATOM 0 HA LYS A 61 -3.215 11.621 -1.376 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -4.306 13.399 -0.258 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -2.859 14.116 -0.937 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -4.353 14.805 -2.939 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -5.712 14.399 -1.910 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -3.513 16.361 -1.142 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -5.052 16.831 -1.837 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -6.206 15.666 0.094 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -4.631 15.384 0.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -5.663 17.361 1.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -4.256 17.781 0.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -5.783 18.055 0.171 1.00 0.00 H new ATOM 1055 N ASP A 62 -5.306 12.615 -3.725 1.00 0.00 N ATOM 1056 CA ASP A 62 -6.542 12.270 -4.416 1.00 0.00 C ATOM 1057 C ASP A 62 -6.628 10.766 -4.657 1.00 0.00 C ATOM 1058 O ASP A 62 -7.694 10.165 -4.521 1.00 0.00 O ATOM 1059 CB ASP A 62 -6.635 13.019 -5.747 1.00 0.00 C ATOM 1060 CG ASP A 62 -7.539 12.320 -6.743 1.00 0.00 C ATOM 1061 OD1 ASP A 62 -8.625 11.857 -6.335 1.00 0.00 O ATOM 1062 OD2 ASP A 62 -7.161 12.237 -7.930 1.00 0.00 O ATOM 0 H ASP A 62 -4.797 13.396 -4.137 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.378 12.567 -3.783 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -7.008 14.027 -5.568 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -5.637 13.119 -6.174 1.00 0.00 H new ATOM 1067 N SER A 63 -5.500 10.164 -5.018 1.00 0.00 N ATOM 1068 CA SER A 63 -5.448 8.731 -5.283 1.00 0.00 C ATOM 1069 C SER A 63 -5.635 7.934 -3.996 1.00 0.00 C ATOM 1070 O SER A 63 -6.423 6.990 -3.947 1.00 0.00 O ATOM 1071 CB SER A 63 -4.116 8.360 -5.938 1.00 0.00 C ATOM 1072 OG SER A 63 -4.184 8.500 -7.347 1.00 0.00 O ATOM 0 H SER A 63 -4.609 10.647 -5.134 1.00 0.00 H new ATOM 0 HA SER A 63 -6.261 8.482 -5.965 1.00 0.00 H new ATOM 0 HB2 SER A 63 -3.324 8.996 -5.544 1.00 0.00 H new ATOM 0 HB3 SER A 63 -3.856 7.333 -5.684 1.00 0.00 H new ATOM 0 HG SER A 63 -3.320 8.259 -7.742 1.00 0.00 H new ATOM 1078 N ALA A 64 -4.903 8.320 -2.956 1.00 0.00 N ATOM 1079 CA ALA A 64 -4.988 7.643 -1.668 1.00 0.00 C ATOM 1080 C ALA A 64 -6.439 7.488 -1.225 1.00 0.00 C ATOM 1081 O ALA A 64 -6.879 6.389 -0.888 1.00 0.00 O ATOM 1082 CB ALA A 64 -4.192 8.405 -0.619 1.00 0.00 C ATOM 0 H ALA A 64 -4.244 9.098 -2.981 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.561 6.646 -1.779 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -4.264 7.889 0.338 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.147 8.460 -0.924 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -4.594 9.413 -0.519 1.00 0.00 H new ATOM 1088 N GLN A 65 -7.175 8.594 -1.227 1.00 0.00 N ATOM 1089 CA GLN A 65 -8.576 8.579 -0.823 1.00 0.00 C ATOM 1090 C GLN A 65 -9.311 7.399 -1.450 1.00 0.00 C ATOM 1091 O GLN A 65 -9.742 6.482 -0.752 1.00 0.00 O ATOM 1092 CB GLN A 65 -9.258 9.889 -1.222 1.00 0.00 C ATOM 1093 CG GLN A 65 -8.714 11.105 -0.490 1.00 0.00 C ATOM 1094 CD GLN A 65 -9.320 11.276 0.889 1.00 0.00 C ATOM 1095 OE1 GLN A 65 -10.391 10.742 1.180 1.00 0.00 O ATOM 1096 NE2 GLN A 65 -8.637 12.024 1.748 1.00 0.00 N ATOM 0 H GLN A 65 -6.825 9.511 -1.504 1.00 0.00 H new ATOM 0 HA GLN A 65 -8.614 8.473 0.261 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -9.140 10.038 -2.295 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -10.327 9.806 -1.027 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -7.632 11.015 -0.398 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -8.910 11.999 -1.082 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -7.753 12.448 1.465 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -8.996 12.175 2.691 1.00 0.00 H new ATOM 1105 N ASN A 66 -9.451 7.429 -2.772 1.00 0.00 N ATOM 1106 CA ASN A 66 -10.134 6.362 -3.493 1.00 0.00 C ATOM 1107 C ASN A 66 -9.772 4.997 -2.916 1.00 0.00 C ATOM 1108 O ASN A 66 -10.647 4.231 -2.510 1.00 0.00 O ATOM 1109 CB ASN A 66 -9.776 6.411 -4.979 1.00 0.00 C ATOM 1110 CG ASN A 66 -10.400 5.273 -5.763 1.00 0.00 C ATOM 1111 OD1 ASN A 66 -11.312 4.600 -5.282 1.00 0.00 O ATOM 1112 ND2 ASN A 66 -9.909 5.051 -6.977 1.00 0.00 N ATOM 0 H ASN A 66 -9.100 8.181 -3.365 1.00 0.00 H new ATOM 0 HA ASN A 66 -11.208 6.511 -3.380 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -10.107 7.361 -5.398 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -8.692 6.373 -5.090 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -10.288 4.298 -7.551 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -9.153 5.634 -7.336 1.00 0.00 H new ATOM 1119 N CYS A 67 -8.478 4.699 -2.882 1.00 0.00 N ATOM 1120 CA CYS A 67 -7.999 3.426 -2.355 1.00 0.00 C ATOM 1121 C CYS A 67 -8.468 3.222 -0.918 1.00 0.00 C ATOM 1122 O CYS A 67 -8.823 2.112 -0.520 1.00 0.00 O ATOM 1123 CB CYS A 67 -6.473 3.366 -2.420 1.00 0.00 C ATOM 1124 SG CYS A 67 -5.749 1.986 -1.502 1.00 0.00 S ATOM 0 H CYS A 67 -7.741 5.322 -3.213 1.00 0.00 H new ATOM 0 HA CYS A 67 -8.413 2.627 -2.970 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -6.167 3.295 -3.464 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -6.066 4.300 -2.032 1.00 0.00 H new ATOM 0 HG CYS A 67 -5.697 0.936 -2.267 1.00 0.00 H new ATOM 1130 N THR A 68 -8.467 4.301 -0.141 1.00 0.00 N ATOM 1131 CA THR A 68 -8.889 4.241 1.252 1.00 0.00 C ATOM 1132 C THR A 68 -10.383 3.960 1.362 1.00 0.00 C ATOM 1133 O THR A 68 -10.918 3.813 2.461 1.00 0.00 O ATOM 1134 CB THR A 68 -8.569 5.552 1.994 1.00 0.00 C ATOM 1135 OG1 THR A 68 -7.290 6.047 1.583 1.00 0.00 O ATOM 1136 CG2 THR A 68 -8.574 5.337 3.500 1.00 0.00 C ATOM 0 H THR A 68 -8.178 5.228 -0.454 1.00 0.00 H new ATOM 0 HA THR A 68 -8.333 3.426 1.715 1.00 0.00 H new ATOM 0 HB THR A 68 -9.339 6.282 1.744 1.00 0.00 H new ATOM 0 HG1 THR A 68 -7.377 6.498 0.717 1.00 0.00 H new ATOM 0 HG21 THR A 68 -8.345 6.277 4.002 1.00 0.00 H new ATOM 0 HG22 THR A 68 -9.557 4.987 3.814 1.00 0.00 H new ATOM 0 HG23 THR A 68 -7.823 4.593 3.764 1.00 0.00 H new ATOM 1144 N ARG A 69 -11.053 3.886 0.216 1.00 0.00 N ATOM 1145 CA ARG A 69 -12.487 3.623 0.185 1.00 0.00 C ATOM 1146 C ARG A 69 -12.786 2.335 -0.575 1.00 0.00 C ATOM 1147 O ARG A 69 -13.822 1.705 -0.364 1.00 0.00 O ATOM 1148 CB ARG A 69 -13.227 4.795 -0.464 1.00 0.00 C ATOM 1149 CG ARG A 69 -14.665 4.474 -0.836 1.00 0.00 C ATOM 1150 CD ARG A 69 -14.761 3.884 -2.235 1.00 0.00 C ATOM 1151 NE ARG A 69 -16.134 3.872 -2.731 1.00 0.00 N ATOM 1152 CZ ARG A 69 -16.547 3.104 -3.733 1.00 0.00 C ATOM 1153 NH1 ARG A 69 -15.696 2.289 -4.342 1.00 0.00 N ATOM 1154 NH2 ARG A 69 -17.813 3.149 -4.128 1.00 0.00 N ATOM 0 H ARG A 69 -10.626 4.004 -0.703 1.00 0.00 H new ATOM 0 HA ARG A 69 -12.833 3.507 1.212 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -13.218 5.643 0.220 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -12.688 5.103 -1.360 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -15.080 3.771 -0.114 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -15.267 5.381 -0.780 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -14.135 4.461 -2.915 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -14.370 2.867 -2.227 1.00 0.00 H new ATOM 0 HE ARG A 69 -16.813 4.487 -2.284 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -14.722 2.251 -4.041 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -16.015 1.700 -5.111 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -18.471 3.774 -3.662 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -18.128 2.559 -4.898 1.00 0.00 H new ATOM 1168 N ALA A 70 -11.873 1.949 -1.460 1.00 0.00 N ATOM 1169 CA ALA A 70 -12.039 0.735 -2.250 1.00 0.00 C ATOM 1170 C ALA A 70 -11.720 -0.505 -1.423 1.00 0.00 C ATOM 1171 O ALA A 70 -12.432 -1.508 -1.493 1.00 0.00 O ATOM 1172 CB ALA A 70 -11.157 0.787 -3.489 1.00 0.00 C ATOM 0 H ALA A 70 -11.010 2.460 -1.648 1.00 0.00 H new ATOM 0 HA ALA A 70 -13.082 0.673 -2.562 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -11.291 -0.126 -4.070 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -11.434 1.648 -4.097 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -10.113 0.876 -3.189 1.00 0.00 H new ATOM 1178 N ILE A 71 -10.648 -0.431 -0.642 1.00 0.00 N ATOM 1179 CA ILE A 71 -10.237 -1.549 0.198 1.00 0.00 C ATOM 1180 C ILE A 71 -10.803 -1.415 1.608 1.00 0.00 C ATOM 1181 O ILE A 71 -10.998 -2.408 2.306 1.00 0.00 O ATOM 1182 CB ILE A 71 -8.702 -1.656 0.281 1.00 0.00 C ATOM 1183 CG1 ILE A 71 -8.144 -0.574 1.208 1.00 0.00 C ATOM 1184 CG2 ILE A 71 -8.088 -1.542 -1.106 1.00 0.00 C ATOM 1185 CD1 ILE A 71 -6.654 -0.692 1.445 1.00 0.00 C ATOM 0 H ILE A 71 -10.048 0.391 -0.573 1.00 0.00 H new ATOM 0 HA ILE A 71 -10.632 -2.453 -0.265 1.00 0.00 H new ATOM 0 HB ILE A 71 -8.441 -2.631 0.693 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -8.360 0.406 0.781 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -8.661 -0.625 2.166 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -7.003 -1.619 -1.031 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -8.466 -2.345 -1.739 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -8.354 -0.580 -1.544 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -6.327 0.107 2.111 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -6.433 -1.657 1.901 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -6.127 -0.611 0.494 1.00 0.00 H new ATOM 1197 N ASN A 72 -11.066 -0.178 2.018 1.00 0.00 N ATOM 1198 CA ASN A 72 -11.612 0.087 3.345 1.00 0.00 C ATOM 1199 C ASN A 72 -12.868 -0.744 3.592 1.00 0.00 C ATOM 1200 O ASN A 72 -13.835 -0.665 2.836 1.00 0.00 O ATOM 1201 CB ASN A 72 -11.932 1.575 3.499 1.00 0.00 C ATOM 1202 CG ASN A 72 -13.056 1.825 4.486 1.00 0.00 C ATOM 1203 OD1 ASN A 72 -12.884 1.662 5.694 1.00 0.00 O ATOM 1204 ND2 ASN A 72 -14.216 2.222 3.975 1.00 0.00 N ATOM 0 H ASN A 72 -10.910 0.656 1.451 1.00 0.00 H new ATOM 0 HA ASN A 72 -10.861 -0.194 4.083 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -11.038 2.104 3.829 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -12.206 1.987 2.528 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -15.009 2.405 4.590 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -14.314 2.344 2.967 1.00 0.00 H new ATOM 1211 N ASN A 73 -12.844 -1.539 4.657 1.00 0.00 N ATOM 1212 CA ASN A 73 -13.981 -2.384 5.004 1.00 0.00 C ATOM 1213 C ASN A 73 -14.191 -3.471 3.955 1.00 0.00 C ATOM 1214 O ASN A 73 -15.281 -3.610 3.398 1.00 0.00 O ATOM 1215 CB ASN A 73 -15.249 -1.539 5.141 1.00 0.00 C ATOM 1216 CG ASN A 73 -16.347 -2.262 5.897 1.00 0.00 C ATOM 1217 OD1 ASN A 73 -17.063 -3.090 5.333 1.00 0.00 O ATOM 1218 ND2 ASN A 73 -16.485 -1.951 7.180 1.00 0.00 N ATOM 0 H ASN A 73 -12.051 -1.616 5.294 1.00 0.00 H new ATOM 0 HA ASN A 73 -13.767 -2.863 5.960 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -15.009 -0.609 5.656 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -15.612 -1.269 4.149 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -17.207 -2.404 7.740 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -15.869 -1.259 7.606 1.00 0.00 H new ATOM 1225 N LYS A 74 -13.142 -4.241 3.690 1.00 0.00 N ATOM 1226 CA LYS A 74 -13.210 -5.318 2.709 1.00 0.00 C ATOM 1227 C LYS A 74 -12.305 -6.478 3.110 1.00 0.00 C ATOM 1228 O LYS A 74 -11.143 -6.278 3.461 1.00 0.00 O ATOM 1229 CB LYS A 74 -12.810 -4.801 1.325 1.00 0.00 C ATOM 1230 CG LYS A 74 -13.748 -3.738 0.778 1.00 0.00 C ATOM 1231 CD LYS A 74 -15.082 -4.333 0.362 1.00 0.00 C ATOM 1232 CE LYS A 74 -16.002 -3.277 -0.233 1.00 0.00 C ATOM 1233 NZ LYS A 74 -16.824 -2.606 0.811 1.00 0.00 N ATOM 0 H LYS A 74 -12.233 -4.139 4.141 1.00 0.00 H new ATOM 0 HA LYS A 74 -14.238 -5.678 2.673 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -11.801 -4.391 1.377 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -12.778 -5.639 0.629 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -13.911 -2.971 1.535 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -13.284 -3.248 -0.078 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -14.916 -5.126 -0.368 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -15.563 -4.791 1.226 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -15.406 -2.532 -0.761 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -16.658 -3.740 -0.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -17.809 -2.934 0.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -16.447 -2.839 1.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -16.791 -1.576 0.670 1.00 0.00 H new ATOM 1247 N GLN A 75 -12.846 -7.691 3.055 1.00 0.00 N ATOM 1248 CA GLN A 75 -12.086 -8.883 3.413 1.00 0.00 C ATOM 1249 C GLN A 75 -11.127 -9.273 2.294 1.00 0.00 C ATOM 1250 O GLN A 75 -11.552 -9.670 1.208 1.00 0.00 O ATOM 1251 CB GLN A 75 -13.033 -10.045 3.718 1.00 0.00 C ATOM 1252 CG GLN A 75 -14.017 -9.750 4.838 1.00 0.00 C ATOM 1253 CD GLN A 75 -15.105 -10.800 4.951 1.00 0.00 C ATOM 1254 OE1 GLN A 75 -15.116 -11.603 5.884 1.00 0.00 O ATOM 1255 NE2 GLN A 75 -16.030 -10.799 3.997 1.00 0.00 N ATOM 0 H GLN A 75 -13.807 -7.874 2.766 1.00 0.00 H new ATOM 0 HA GLN A 75 -11.502 -8.657 4.305 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -13.588 -10.297 2.815 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -12.444 -10.922 3.985 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -13.478 -9.688 5.783 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -14.474 -8.775 4.667 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -15.983 -10.115 3.242 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -16.787 -11.482 4.020 1.00 0.00 H new ATOM 1264 N LEU A 76 -9.832 -9.158 2.564 1.00 0.00 N ATOM 1265 CA LEU A 76 -8.811 -9.499 1.579 1.00 0.00 C ATOM 1266 C LEU A 76 -7.863 -10.563 2.123 1.00 0.00 C ATOM 1267 O LEU A 76 -7.520 -10.558 3.305 1.00 0.00 O ATOM 1268 CB LEU A 76 -8.021 -8.251 1.182 1.00 0.00 C ATOM 1269 CG LEU A 76 -8.705 -7.310 0.191 1.00 0.00 C ATOM 1270 CD1 LEU A 76 -9.733 -6.442 0.900 1.00 0.00 C ATOM 1271 CD2 LEU A 76 -7.676 -6.445 -0.522 1.00 0.00 C ATOM 0 H LEU A 76 -9.463 -8.831 3.457 1.00 0.00 H new ATOM 0 HA LEU A 76 -9.311 -9.901 0.698 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.791 -7.688 2.087 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -7.070 -8.568 0.754 1.00 0.00 H new ATOM 0 HG LEU A 76 -9.222 -7.914 -0.555 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -10.209 -5.779 0.178 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -10.488 -7.077 1.363 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -9.239 -5.847 1.668 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -8.182 -5.782 -1.224 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -7.130 -5.850 0.211 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -6.978 -7.083 -1.065 1.00 0.00 H new ATOM 1283 N PHE A 77 -7.442 -11.474 1.251 1.00 0.00 N ATOM 1284 CA PHE A 77 -6.533 -12.544 1.644 1.00 0.00 C ATOM 1285 C PHE A 77 -7.032 -13.249 2.901 1.00 0.00 C ATOM 1286 O PHE A 77 -6.250 -13.822 3.657 1.00 0.00 O ATOM 1287 CB PHE A 77 -5.128 -11.987 1.882 1.00 0.00 C ATOM 1288 CG PHE A 77 -4.391 -11.655 0.615 1.00 0.00 C ATOM 1289 CD1 PHE A 77 -4.673 -10.491 -0.081 1.00 0.00 C ATOM 1290 CD2 PHE A 77 -3.417 -12.507 0.122 1.00 0.00 C ATOM 1291 CE1 PHE A 77 -3.998 -10.184 -1.247 1.00 0.00 C ATOM 1292 CE2 PHE A 77 -2.738 -12.205 -1.044 1.00 0.00 C ATOM 1293 CZ PHE A 77 -3.028 -11.042 -1.728 1.00 0.00 C ATOM 0 H PHE A 77 -7.716 -11.492 0.269 1.00 0.00 H new ATOM 0 HA PHE A 77 -6.496 -13.271 0.832 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -5.201 -11.089 2.496 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -4.549 -12.715 2.450 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -5.429 -9.816 0.292 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -3.185 -13.418 0.654 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -4.228 -9.274 -1.782 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -1.982 -12.878 -1.419 1.00 0.00 H new ATOM 0 HZ PHE A 77 -2.497 -10.803 -2.638 1.00 0.00 H new ATOM 1303 N GLY A 78 -8.344 -13.201 3.118 1.00 0.00 N ATOM 1304 CA GLY A 78 -8.926 -13.838 4.285 1.00 0.00 C ATOM 1305 C GLY A 78 -8.603 -13.101 5.569 1.00 0.00 C ATOM 1306 O GLY A 78 -8.253 -13.718 6.575 1.00 0.00 O ATOM 0 H GLY A 78 -9.013 -12.733 2.507 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -10.008 -13.893 4.164 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -8.561 -14.863 4.356 1.00 0.00 H new ATOM 1310 N ARG A 79 -8.719 -11.777 5.536 1.00 0.00 N ATOM 1311 CA ARG A 79 -8.434 -10.955 6.705 1.00 0.00 C ATOM 1312 C ARG A 79 -8.947 -9.532 6.508 1.00 0.00 C ATOM 1313 O ARG A 79 -8.380 -8.758 5.737 1.00 0.00 O ATOM 1314 CB ARG A 79 -6.930 -10.933 6.985 1.00 0.00 C ATOM 1315 CG ARG A 79 -6.076 -11.039 5.732 1.00 0.00 C ATOM 1316 CD ARG A 79 -4.602 -11.189 6.073 1.00 0.00 C ATOM 1317 NE ARG A 79 -4.206 -10.324 7.182 1.00 0.00 N ATOM 1318 CZ ARG A 79 -4.274 -10.687 8.458 1.00 0.00 C ATOM 1319 NH1 ARG A 79 -4.720 -11.892 8.785 1.00 0.00 N ATOM 1320 NH2 ARG A 79 -3.896 -9.844 9.410 1.00 0.00 N ATOM 0 H ARG A 79 -9.009 -11.251 4.711 1.00 0.00 H new ATOM 0 HA ARG A 79 -8.949 -11.393 7.560 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -6.680 -10.010 7.508 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -6.682 -11.756 7.655 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -6.402 -11.894 5.139 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -6.220 -10.151 5.116 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -4.393 -12.227 6.331 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -4.001 -10.951 5.195 1.00 0.00 H new ATOM 0 HE ARG A 79 -3.858 -9.390 6.964 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -5.012 -12.543 8.056 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -4.771 -12.168 9.766 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -3.553 -8.916 9.163 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -3.949 -10.124 10.389 1.00 0.00 H new ATOM 1334 N VAL A 80 -10.024 -9.194 7.210 1.00 0.00 N ATOM 1335 CA VAL A 80 -10.613 -7.864 7.113 1.00 0.00 C ATOM 1336 C VAL A 80 -9.545 -6.781 7.210 1.00 0.00 C ATOM 1337 O VAL A 80 -8.985 -6.542 8.281 1.00 0.00 O ATOM 1338 CB VAL A 80 -11.664 -7.634 8.215 1.00 0.00 C ATOM 1339 CG1 VAL A 80 -12.238 -6.228 8.121 1.00 0.00 C ATOM 1340 CG2 VAL A 80 -12.769 -8.676 8.122 1.00 0.00 C ATOM 0 H VAL A 80 -10.506 -9.823 7.852 1.00 0.00 H new ATOM 0 HA VAL A 80 -11.099 -7.804 6.139 1.00 0.00 H new ATOM 0 HB VAL A 80 -11.177 -7.738 9.185 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -12.979 -6.084 8.908 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -11.436 -5.499 8.240 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -12.711 -6.092 7.148 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -13.503 -8.499 8.908 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -13.255 -8.605 7.149 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -12.342 -9.671 8.243 1.00 0.00 H new ATOM 1350 N ILE A 81 -9.268 -6.127 6.087 1.00 0.00 N ATOM 1351 CA ILE A 81 -8.268 -5.068 6.047 1.00 0.00 C ATOM 1352 C ILE A 81 -8.896 -3.708 6.334 1.00 0.00 C ATOM 1353 O ILE A 81 -9.889 -3.327 5.714 1.00 0.00 O ATOM 1354 CB ILE A 81 -7.558 -5.015 4.681 1.00 0.00 C ATOM 1355 CG1 ILE A 81 -6.897 -6.361 4.374 1.00 0.00 C ATOM 1356 CG2 ILE A 81 -6.527 -3.896 4.663 1.00 0.00 C ATOM 1357 CD1 ILE A 81 -5.810 -6.274 3.325 1.00 0.00 C ATOM 0 H ILE A 81 -9.722 -6.312 5.193 1.00 0.00 H new ATOM 0 HA ILE A 81 -7.534 -5.297 6.820 1.00 0.00 H new ATOM 0 HB ILE A 81 -8.300 -4.811 3.909 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -6.473 -6.766 5.293 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -7.660 -7.063 4.038 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -6.034 -3.871 3.691 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -7.022 -2.942 4.843 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -5.785 -4.072 5.442 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -5.386 -7.264 3.158 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -6.233 -5.898 2.393 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -5.027 -5.597 3.667 1.00 0.00 H new ATOM 1369 N LYS A 82 -8.308 -2.978 7.275 1.00 0.00 N ATOM 1370 CA LYS A 82 -8.806 -1.658 7.643 1.00 0.00 C ATOM 1371 C LYS A 82 -8.000 -0.561 6.956 1.00 0.00 C ATOM 1372 O LYS A 82 -6.785 -0.469 7.129 1.00 0.00 O ATOM 1373 CB LYS A 82 -8.748 -1.473 9.161 1.00 0.00 C ATOM 1374 CG LYS A 82 -9.500 -2.543 9.934 1.00 0.00 C ATOM 1375 CD LYS A 82 -10.998 -2.455 9.694 1.00 0.00 C ATOM 1376 CE LYS A 82 -11.774 -3.290 10.701 1.00 0.00 C ATOM 1377 NZ LYS A 82 -13.138 -2.743 10.942 1.00 0.00 N ATOM 0 H LYS A 82 -7.485 -3.278 7.797 1.00 0.00 H new ATOM 0 HA LYS A 82 -9.842 -1.584 7.313 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -7.705 -1.472 9.479 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -9.159 -0.496 9.415 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -9.140 -3.528 9.637 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -9.294 -2.436 10.999 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -11.317 -1.415 9.759 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -11.226 -2.796 8.684 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -11.853 -4.315 10.339 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -11.226 -3.326 11.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -13.634 -3.340 11.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -13.063 -1.774 11.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -13.671 -2.732 10.049 1.00 0.00 H new ATOM 1391 N ALA A 83 -8.684 0.270 6.177 1.00 0.00 N ATOM 1392 CA ALA A 83 -8.032 1.363 5.466 1.00 0.00 C ATOM 1393 C ALA A 83 -8.551 2.715 5.943 1.00 0.00 C ATOM 1394 O ALA A 83 -9.758 2.911 6.090 1.00 0.00 O ATOM 1395 CB ALA A 83 -8.239 1.215 3.966 1.00 0.00 C ATOM 0 H ALA A 83 -9.690 0.207 6.022 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.964 1.317 5.680 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -7.747 2.038 3.448 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -7.813 0.269 3.632 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -9.306 1.232 3.743 1.00 0.00 H new ATOM 1401 N SER A 84 -7.633 3.645 6.184 1.00 0.00 N ATOM 1402 CA SER A 84 -7.998 4.978 6.650 1.00 0.00 C ATOM 1403 C SER A 84 -6.829 5.946 6.495 1.00 0.00 C ATOM 1404 O SER A 84 -5.683 5.606 6.791 1.00 0.00 O ATOM 1405 CB SER A 84 -8.443 4.927 8.113 1.00 0.00 C ATOM 1406 OG SER A 84 -9.817 4.597 8.217 1.00 0.00 O ATOM 0 H SER A 84 -6.630 3.500 6.064 1.00 0.00 H new ATOM 0 HA SER A 84 -8.827 5.335 6.039 1.00 0.00 H new ATOM 0 HB2 SER A 84 -7.847 4.191 8.652 1.00 0.00 H new ATOM 0 HB3 SER A 84 -8.261 5.892 8.586 1.00 0.00 H new ATOM 0 HG SER A 84 -10.059 3.974 7.500 1.00 0.00 H new ATOM 1412 N ILE A 85 -7.128 7.155 6.030 1.00 0.00 N ATOM 1413 CA ILE A 85 -6.103 8.173 5.837 1.00 0.00 C ATOM 1414 C ILE A 85 -5.207 8.291 7.065 1.00 0.00 C ATOM 1415 O ILE A 85 -5.682 8.242 8.200 1.00 0.00 O ATOM 1416 CB ILE A 85 -6.726 9.549 5.537 1.00 0.00 C ATOM 1417 CG1 ILE A 85 -7.576 9.482 4.266 1.00 0.00 C ATOM 1418 CG2 ILE A 85 -5.639 10.604 5.398 1.00 0.00 C ATOM 1419 CD1 ILE A 85 -6.794 9.075 3.037 1.00 0.00 C ATOM 0 H ILE A 85 -8.071 7.453 5.780 1.00 0.00 H new ATOM 0 HA ILE A 85 -5.504 7.859 4.982 1.00 0.00 H new ATOM 0 HB ILE A 85 -7.372 9.828 6.370 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -8.390 8.774 4.420 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -8.031 10.457 4.091 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -6.095 11.571 5.186 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -5.072 10.666 6.327 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -4.970 10.332 4.582 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -7.460 9.048 2.174 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -5.997 9.796 2.858 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -6.361 8.087 3.192 1.00 0.00 H new ATOM 1431 N ALA A 86 -3.908 8.448 6.831 1.00 0.00 N ATOM 1432 CA ALA A 86 -2.946 8.577 7.918 1.00 0.00 C ATOM 1433 C ALA A 86 -2.193 9.900 7.830 1.00 0.00 C ATOM 1434 O ALA A 86 -0.975 9.922 7.651 1.00 0.00 O ATOM 1435 CB ALA A 86 -1.969 7.410 7.899 1.00 0.00 C ATOM 0 H ALA A 86 -3.498 8.489 5.898 1.00 0.00 H new ATOM 0 HA ALA A 86 -3.495 8.563 8.860 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -1.256 7.519 8.716 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -2.517 6.475 8.018 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -1.434 7.399 6.950 1.00 0.00 H new