USER MOD reduce.3.24.130724 H: found=0, std=0, add=561, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 563 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 Single : A 15 SER OG : rot 141:sc= 1.27 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.187 USER MOD Single : A 21 SER OG : rot 180:sc= -0.0516 USER MOD Single : A 22 ASN : amide:sc= -0.39 X(o=-0.39,f=-0.15) USER MOD Single : A 24 SER OG : rot 105:sc= -0.624 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0104 USER MOD Single : A 31 THR OG1 : rot -170:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -0.685 K(o=-0.68,f=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 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 LYS NZ :NH3+ -109:sc= 0.0775 (180deg=0) USER MOD Single : A 52 SER OG : rot -120:sc= -0.498 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 180:sc= -0.202 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -1.07 K(o=-1.1,f=-1.7!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 CYS SG : rot 178:sc= -1.98! USER MOD Single : A 74 ASN : amide:sc= -0.284 X(o=-0.28,f=-0.059) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 GLN : amide:sc= -0.032 X(o=-0.032,f=0) USER MOD ----------------------------------------------------------------- ATOM 162 N SER A 15 -1.703 15.629 4.675 1.00 0.00 N ATOM 163 CA SER A 15 -1.111 14.538 5.439 1.00 0.00 C ATOM 164 C SER A 15 -0.314 13.608 4.530 1.00 0.00 C ATOM 165 O SER A 15 -0.880 12.897 3.699 1.00 0.00 O ATOM 166 CB SER A 15 -2.199 13.748 6.168 1.00 0.00 C ATOM 167 OG SER A 15 -1.670 13.073 7.296 1.00 0.00 O ATOM 0 HA SER A 15 -0.431 14.969 6.174 1.00 0.00 H new ATOM 0 HB2 SER A 15 -2.993 14.424 6.484 1.00 0.00 H new ATOM 0 HB3 SER A 15 -2.648 13.026 5.486 1.00 0.00 H new ATOM 0 HG SER A 15 -2.315 13.111 8.033 1.00 0.00 H new ATOM 173 N LYS A 16 1.004 13.618 4.693 1.00 0.00 N ATOM 174 CA LYS A 16 1.882 12.775 3.889 1.00 0.00 C ATOM 175 C LYS A 16 1.816 11.323 4.352 1.00 0.00 C ATOM 176 O LYS A 16 2.426 10.439 3.749 1.00 0.00 O ATOM 177 CB LYS A 16 3.324 13.282 3.969 1.00 0.00 C ATOM 178 CG LYS A 16 4.123 12.667 5.105 1.00 0.00 C ATOM 179 CD LYS A 16 3.468 12.925 6.451 1.00 0.00 C ATOM 180 CE LYS A 16 3.882 14.273 7.023 1.00 0.00 C ATOM 181 NZ LYS A 16 3.520 14.400 8.461 1.00 0.00 N ATOM 0 H LYS A 16 1.489 14.201 5.375 1.00 0.00 H new ATOM 0 HA LYS A 16 1.543 12.824 2.854 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.827 13.070 3.026 1.00 0.00 H new ATOM 0 HB3 LYS A 16 3.313 14.365 4.088 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.217 11.593 4.945 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.132 13.079 5.106 1.00 0.00 H new ATOM 0 HD2 LYS A 16 2.384 12.892 6.342 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.742 12.133 7.148 1.00 0.00 H new ATOM 0 HE2 LYS A 16 4.958 14.402 6.907 1.00 0.00 H new ATOM 0 HE3 LYS A 16 3.402 15.071 6.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 3.819 15.332 8.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 2.490 14.303 8.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 3.998 13.654 9.006 1.00 0.00 H new ATOM 195 N THR A 17 1.071 11.082 5.426 1.00 0.00 N ATOM 196 CA THR A 17 0.925 9.738 5.970 1.00 0.00 C ATOM 197 C THR A 17 -0.439 9.151 5.627 1.00 0.00 C ATOM 198 O THR A 17 -1.475 9.688 6.022 1.00 0.00 O ATOM 199 CB THR A 17 1.105 9.728 7.500 1.00 0.00 C ATOM 200 OG1 THR A 17 2.400 10.234 7.844 1.00 0.00 O ATOM 201 CG2 THR A 17 0.941 8.321 8.055 1.00 0.00 C ATOM 0 H THR A 17 0.559 11.801 5.937 1.00 0.00 H new ATOM 0 HA THR A 17 1.705 9.127 5.516 1.00 0.00 H new ATOM 0 HB THR A 17 0.338 10.366 7.938 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.506 10.226 8.818 1.00 0.00 H new ATOM 0 HG21 THR A 17 1.072 8.339 9.137 1.00 0.00 H new ATOM 0 HG22 THR A 17 -0.056 7.950 7.817 1.00 0.00 H new ATOM 0 HG23 THR A 17 1.689 7.665 7.610 1.00 0.00 H new ATOM 209 N LEU A 18 -0.434 8.046 4.889 1.00 0.00 N ATOM 210 CA LEU A 18 -1.673 7.385 4.493 1.00 0.00 C ATOM 211 C LEU A 18 -1.994 6.224 5.428 1.00 0.00 C ATOM 212 O LEU A 18 -1.108 5.460 5.814 1.00 0.00 O ATOM 213 CB LEU A 18 -1.566 6.880 3.053 1.00 0.00 C ATOM 214 CG LEU A 18 -0.968 7.858 2.041 1.00 0.00 C ATOM 215 CD1 LEU A 18 -0.785 7.184 0.690 1.00 0.00 C ATOM 216 CD2 LEU A 18 -1.847 9.093 1.909 1.00 0.00 C ATOM 0 H LEU A 18 0.414 7.589 4.553 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.481 8.113 4.558 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.962 5.972 3.051 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.563 6.600 2.712 1.00 0.00 H new ATOM 0 HG LEU A 18 0.011 8.171 2.403 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.358 7.896 -0.017 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.114 6.332 0.797 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.751 6.841 0.321 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.406 9.778 1.185 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.840 8.798 1.571 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.925 9.589 2.876 1.00 0.00 H new ATOM 228 N VAL A 19 -3.267 6.096 5.789 1.00 0.00 N ATOM 229 CA VAL A 19 -3.705 5.025 6.677 1.00 0.00 C ATOM 230 C VAL A 19 -4.404 3.917 5.898 1.00 0.00 C ATOM 231 O VAL A 19 -5.421 4.150 5.242 1.00 0.00 O ATOM 232 CB VAL A 19 -4.660 5.554 7.764 1.00 0.00 C ATOM 233 CG1 VAL A 19 -4.859 4.511 8.853 1.00 0.00 C ATOM 234 CG2 VAL A 19 -4.131 6.855 8.350 1.00 0.00 C ATOM 0 H VAL A 19 -4.013 6.720 5.481 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.811 4.622 7.153 1.00 0.00 H new ATOM 0 HB VAL A 19 -5.628 5.756 7.306 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -5.536 4.902 9.612 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -5.285 3.607 8.418 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -3.898 4.275 9.311 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -4.818 7.215 9.116 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -3.151 6.682 8.794 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -4.045 7.601 7.560 1.00 0.00 H new ATOM 244 N LEU A 20 -3.854 2.711 5.974 1.00 0.00 N ATOM 245 CA LEU A 20 -4.425 1.564 5.276 1.00 0.00 C ATOM 246 C LEU A 20 -5.332 0.759 6.202 1.00 0.00 C ATOM 247 O LEU A 20 -5.032 0.584 7.382 1.00 0.00 O ATOM 248 CB LEU A 20 -3.312 0.668 4.729 1.00 0.00 C ATOM 249 CG LEU A 20 -3.721 -0.322 3.639 1.00 0.00 C ATOM 250 CD1 LEU A 20 -2.510 -0.751 2.825 1.00 0.00 C ATOM 251 CD2 LEU A 20 -4.412 -1.533 4.250 1.00 0.00 C ATOM 0 H LEU A 20 -3.013 2.501 6.512 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.024 1.937 4.445 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.521 1.306 4.334 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.884 0.107 5.560 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.425 0.174 2.970 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.821 -1.456 2.054 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.058 0.123 2.357 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.782 -1.228 3.480 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.696 -2.227 3.459 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.732 -2.030 4.942 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.304 -1.210 4.787 1.00 0.00 H new ATOM 263 N SER A 21 -6.441 0.270 5.657 1.00 0.00 N ATOM 264 CA SER A 21 -7.393 -0.515 6.434 1.00 0.00 C ATOM 265 C SER A 21 -7.756 -1.805 5.705 1.00 0.00 C ATOM 266 O SER A 21 -7.852 -1.832 4.479 1.00 0.00 O ATOM 267 CB SER A 21 -8.657 0.303 6.708 1.00 0.00 C ATOM 268 OG SER A 21 -9.343 0.600 5.504 1.00 0.00 O ATOM 0 H SER A 21 -6.703 0.404 4.680 1.00 0.00 H new ATOM 0 HA SER A 21 -6.924 -0.774 7.383 1.00 0.00 H new ATOM 0 HB2 SER A 21 -9.315 -0.251 7.378 1.00 0.00 H new ATOM 0 HB3 SER A 21 -8.391 1.230 7.217 1.00 0.00 H new ATOM 0 HG SER A 21 -10.148 1.122 5.706 1.00 0.00 H new ATOM 274 N ASN A 22 -7.957 -2.873 6.470 1.00 0.00 N ATOM 275 CA ASN A 22 -8.309 -4.168 5.899 1.00 0.00 C ATOM 276 C ASN A 22 -7.094 -4.824 5.250 1.00 0.00 C ATOM 277 O ASN A 22 -7.162 -5.297 4.114 1.00 0.00 O ATOM 278 CB ASN A 22 -9.427 -4.006 4.867 1.00 0.00 C ATOM 279 CG ASN A 22 -10.293 -5.246 4.754 1.00 0.00 C ATOM 280 OD1 ASN A 22 -11.094 -5.540 5.642 1.00 0.00 O ATOM 281 ND2 ASN A 22 -10.136 -5.979 3.658 1.00 0.00 N ATOM 0 H ASN A 22 -7.882 -2.867 7.487 1.00 0.00 H new ATOM 0 HA ASN A 22 -8.659 -4.811 6.707 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -10.050 -3.155 5.141 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -8.990 -3.781 3.894 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -10.691 -6.824 3.526 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -9.460 -5.697 2.948 1.00 0.00 H new ATOM 288 N LEU A 23 -5.983 -4.851 5.978 1.00 0.00 N ATOM 289 CA LEU A 23 -4.752 -5.450 5.474 1.00 0.00 C ATOM 290 C LEU A 23 -4.723 -6.949 5.752 1.00 0.00 C ATOM 291 O LEU A 23 -5.053 -7.393 6.852 1.00 0.00 O ATOM 292 CB LEU A 23 -3.536 -4.778 6.113 1.00 0.00 C ATOM 293 CG LEU A 23 -2.226 -4.877 5.331 1.00 0.00 C ATOM 294 CD1 LEU A 23 -1.106 -4.162 6.071 1.00 0.00 C ATOM 295 CD2 LEU A 23 -1.861 -6.334 5.085 1.00 0.00 C ATOM 0 H LEU A 23 -5.909 -4.465 6.919 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.718 -5.298 4.395 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.767 -3.723 6.264 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.381 -5.215 7.099 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.364 -4.390 4.366 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.182 -4.244 5.499 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.365 -3.110 6.194 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.968 -4.619 7.051 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.926 -6.386 4.527 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.742 -6.846 6.040 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.653 -6.816 4.511 1.00 0.00 H new ATOM 307 N SER A 24 -4.325 -7.725 4.749 1.00 0.00 N ATOM 308 CA SER A 24 -4.254 -9.175 4.885 1.00 0.00 C ATOM 309 C SER A 24 -3.049 -9.583 5.727 1.00 0.00 C ATOM 310 O SER A 24 -1.936 -9.102 5.512 1.00 0.00 O ATOM 311 CB SER A 24 -4.174 -9.834 3.506 1.00 0.00 C ATOM 312 OG SER A 24 -4.208 -11.247 3.614 1.00 0.00 O ATOM 0 H SER A 24 -4.047 -7.374 3.833 1.00 0.00 H new ATOM 0 HA SER A 24 -5.159 -9.513 5.390 1.00 0.00 H new ATOM 0 HB2 SER A 24 -5.004 -9.493 2.888 1.00 0.00 H new ATOM 0 HB3 SER A 24 -3.256 -9.526 3.005 1.00 0.00 H new ATOM 0 HG SER A 24 -5.091 -11.575 3.343 1.00 0.00 H new ATOM 318 N TYR A 25 -3.279 -10.474 6.685 1.00 0.00 N ATOM 319 CA TYR A 25 -2.214 -10.946 7.562 1.00 0.00 C ATOM 320 C TYR A 25 -1.028 -11.459 6.750 1.00 0.00 C ATOM 321 O TYR A 25 0.125 -11.305 7.151 1.00 0.00 O ATOM 322 CB TYR A 25 -2.735 -12.052 8.481 1.00 0.00 C ATOM 323 CG TYR A 25 -4.198 -11.907 8.834 1.00 0.00 C ATOM 324 CD1 TYR A 25 -4.603 -11.073 9.869 1.00 0.00 C ATOM 325 CD2 TYR A 25 -5.174 -12.606 8.135 1.00 0.00 C ATOM 326 CE1 TYR A 25 -5.938 -10.938 10.196 1.00 0.00 C ATOM 327 CE2 TYR A 25 -6.512 -12.475 8.455 1.00 0.00 C ATOM 328 CZ TYR A 25 -6.889 -11.641 9.486 1.00 0.00 C ATOM 329 OH TYR A 25 -8.220 -11.509 9.808 1.00 0.00 O ATOM 0 H TYR A 25 -4.194 -10.884 6.874 1.00 0.00 H new ATOM 0 HA TYR A 25 -1.878 -10.106 8.170 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -2.580 -13.017 7.998 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -2.147 -12.057 9.399 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -3.861 -10.521 10.427 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -4.882 -13.262 7.328 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -6.236 -10.285 11.003 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -7.259 -13.023 7.900 1.00 0.00 H new ATOM 0 HH TYR A 25 -8.758 -12.070 9.212 1.00 0.00 H new ATOM 339 N SER A 26 -1.322 -12.070 5.607 1.00 0.00 N ATOM 340 CA SER A 26 -0.282 -12.609 4.739 1.00 0.00 C ATOM 341 C SER A 26 0.506 -11.486 4.072 1.00 0.00 C ATOM 342 O SER A 26 1.625 -11.691 3.603 1.00 0.00 O ATOM 343 CB SER A 26 -0.897 -13.519 3.674 1.00 0.00 C ATOM 344 OG SER A 26 0.009 -14.538 3.288 1.00 0.00 O ATOM 0 H SER A 26 -2.272 -12.204 5.260 1.00 0.00 H new ATOM 0 HA SER A 26 0.402 -13.193 5.354 1.00 0.00 H new ATOM 0 HB2 SER A 26 -1.812 -13.969 4.060 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.176 -12.927 2.802 1.00 0.00 H new ATOM 0 HG SER A 26 -0.409 -15.107 2.608 1.00 0.00 H new ATOM 350 N ALA A 27 -0.087 -10.297 4.034 1.00 0.00 N ATOM 351 CA ALA A 27 0.558 -9.140 3.427 1.00 0.00 C ATOM 352 C ALA A 27 1.502 -8.459 4.412 1.00 0.00 C ATOM 353 O ALA A 27 1.167 -8.272 5.582 1.00 0.00 O ATOM 354 CB ALA A 27 -0.487 -8.155 2.927 1.00 0.00 C ATOM 0 H ALA A 27 -1.014 -10.110 4.417 1.00 0.00 H new ATOM 0 HA ALA A 27 1.148 -9.487 2.579 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.009 -7.296 2.476 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.119 -8.641 2.183 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -1.102 -7.821 3.763 1.00 0.00 H new ATOM 360 N THR A 28 2.685 -8.089 3.931 1.00 0.00 N ATOM 361 CA THR A 28 3.679 -7.430 4.769 1.00 0.00 C ATOM 362 C THR A 28 4.328 -6.262 4.037 1.00 0.00 C ATOM 363 O THR A 28 4.004 -5.984 2.883 1.00 0.00 O ATOM 364 CB THR A 28 4.776 -8.414 5.218 1.00 0.00 C ATOM 365 OG1 THR A 28 5.703 -8.635 4.149 1.00 0.00 O ATOM 366 CG2 THR A 28 4.170 -9.739 5.654 1.00 0.00 C ATOM 0 H THR A 28 2.978 -8.235 2.965 1.00 0.00 H new ATOM 0 HA THR A 28 3.154 -7.057 5.648 1.00 0.00 H new ATOM 0 HB THR A 28 5.300 -7.976 6.068 1.00 0.00 H new ATOM 0 HG1 THR A 28 6.398 -9.260 4.443 1.00 0.00 H new ATOM 0 HG21 THR A 28 4.964 -10.417 5.966 1.00 0.00 H new ATOM 0 HG22 THR A 28 3.488 -9.570 6.487 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.623 -10.180 4.821 1.00 0.00 H new ATOM 374 N GLU A 29 5.248 -5.581 4.715 1.00 0.00 N ATOM 375 CA GLU A 29 5.942 -4.442 4.126 1.00 0.00 C ATOM 376 C GLU A 29 6.402 -4.760 2.706 1.00 0.00 C ATOM 377 O GLU A 29 6.446 -3.880 1.847 1.00 0.00 O ATOM 378 CB GLU A 29 7.144 -4.049 4.988 1.00 0.00 C ATOM 379 CG GLU A 29 6.806 -3.061 6.091 1.00 0.00 C ATOM 380 CD GLU A 29 7.727 -3.186 7.289 1.00 0.00 C ATOM 381 OE1 GLU A 29 8.916 -2.823 7.162 1.00 0.00 O ATOM 382 OE2 GLU A 29 7.260 -3.645 8.352 1.00 0.00 O ATOM 0 H GLU A 29 5.529 -5.798 5.671 1.00 0.00 H new ATOM 0 HA GLU A 29 5.245 -3.605 4.084 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.569 -4.948 5.435 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.913 -3.617 4.348 1.00 0.00 H new ATOM 0 HG2 GLU A 29 6.866 -2.047 5.696 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.776 -3.218 6.411 1.00 0.00 H new ATOM 389 N GLU A 30 6.743 -6.022 2.469 1.00 0.00 N ATOM 390 CA GLU A 30 7.201 -6.455 1.154 1.00 0.00 C ATOM 391 C GLU A 30 6.111 -6.255 0.105 1.00 0.00 C ATOM 392 O GLU A 30 6.376 -5.784 -1.001 1.00 0.00 O ATOM 393 CB GLU A 30 7.621 -7.926 1.195 1.00 0.00 C ATOM 394 CG GLU A 30 9.087 -8.131 1.539 1.00 0.00 C ATOM 395 CD GLU A 30 10.010 -7.277 0.692 1.00 0.00 C ATOM 396 OE1 GLU A 30 10.180 -7.591 -0.504 1.00 0.00 O ATOM 397 OE2 GLU A 30 10.563 -6.293 1.227 1.00 0.00 O ATOM 0 H GLU A 30 6.711 -6.762 3.170 1.00 0.00 H new ATOM 0 HA GLU A 30 8.062 -5.846 0.879 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.008 -8.450 1.928 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.417 -8.381 0.226 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.245 -7.897 2.592 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.345 -9.182 1.404 1.00 0.00 H new ATOM 404 N THR A 31 4.882 -6.617 0.461 1.00 0.00 N ATOM 405 CA THR A 31 3.752 -6.479 -0.448 1.00 0.00 C ATOM 406 C THR A 31 3.391 -5.013 -0.659 1.00 0.00 C ATOM 407 O THR A 31 3.105 -4.588 -1.779 1.00 0.00 O ATOM 408 CB THR A 31 2.514 -7.230 0.077 1.00 0.00 C ATOM 409 OG1 THR A 31 2.855 -8.589 0.375 1.00 0.00 O ATOM 410 CG2 THR A 31 1.387 -7.197 -0.945 1.00 0.00 C ATOM 0 H THR A 31 4.645 -7.008 1.373 1.00 0.00 H new ATOM 0 HA THR A 31 4.057 -6.916 -1.399 1.00 0.00 H new ATOM 0 HB THR A 31 2.174 -6.734 0.986 1.00 0.00 H new ATOM 0 HG1 THR A 31 2.038 -9.099 0.556 1.00 0.00 H new ATOM 0 HG21 THR A 31 0.524 -7.734 -0.552 1.00 0.00 H new ATOM 0 HG22 THR A 31 1.110 -6.163 -1.148 1.00 0.00 H new ATOM 0 HG23 THR A 31 1.719 -7.671 -1.868 1.00 0.00 H new ATOM 418 N LEU A 32 3.406 -4.243 0.424 1.00 0.00 N ATOM 419 CA LEU A 32 3.081 -2.823 0.358 1.00 0.00 C ATOM 420 C LEU A 32 4.129 -2.061 -0.447 1.00 0.00 C ATOM 421 O LEU A 32 3.799 -1.164 -1.222 1.00 0.00 O ATOM 422 CB LEU A 32 2.979 -2.237 1.767 1.00 0.00 C ATOM 423 CG LEU A 32 2.105 -3.011 2.754 1.00 0.00 C ATOM 424 CD1 LEU A 32 2.067 -2.306 4.101 1.00 0.00 C ATOM 425 CD2 LEU A 32 0.698 -3.182 2.200 1.00 0.00 C ATOM 0 H LEU A 32 3.640 -4.579 1.358 1.00 0.00 H new ATOM 0 HA LEU A 32 2.119 -2.719 -0.143 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.984 -2.164 2.182 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.592 -1.221 1.689 1.00 0.00 H new ATOM 0 HG LEU A 32 2.541 -4.000 2.897 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.440 -2.872 4.790 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.077 -2.236 4.504 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.656 -1.304 3.976 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.090 -3.735 2.916 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.253 -2.202 2.027 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.742 -3.732 1.260 1.00 0.00 H new ATOM 437 N GLN A 33 5.393 -2.427 -0.259 1.00 0.00 N ATOM 438 CA GLN A 33 6.489 -1.779 -0.969 1.00 0.00 C ATOM 439 C GLN A 33 6.291 -1.872 -2.478 1.00 0.00 C ATOM 440 O GLN A 33 6.891 -1.115 -3.240 1.00 0.00 O ATOM 441 CB GLN A 33 7.825 -2.414 -0.578 1.00 0.00 C ATOM 442 CG GLN A 33 8.436 -1.818 0.680 1.00 0.00 C ATOM 443 CD GLN A 33 9.341 -0.638 0.386 1.00 0.00 C ATOM 444 OE1 GLN A 33 10.566 -0.745 0.464 1.00 0.00 O ATOM 445 NE2 GLN A 33 8.742 0.498 0.046 1.00 0.00 N ATOM 0 H GLN A 33 5.683 -3.168 0.379 1.00 0.00 H new ATOM 0 HA GLN A 33 6.499 -0.726 -0.686 1.00 0.00 H new ATOM 0 HB2 GLN A 33 7.680 -3.484 -0.430 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.528 -2.299 -1.403 1.00 0.00 H new ATOM 0 HG2 GLN A 33 7.638 -1.501 1.352 1.00 0.00 H new ATOM 0 HG3 GLN A 33 9.006 -2.587 1.202 1.00 0.00 H new ATOM 0 HE21 GLN A 33 7.724 0.542 -0.006 1.00 0.00 H new ATOM 0 HE22 GLN A 33 9.300 1.326 -0.163 1.00 0.00 H new ATOM 454 N GLU A 34 5.445 -2.806 -2.902 1.00 0.00 N ATOM 455 CA GLU A 34 5.170 -2.999 -4.321 1.00 0.00 C ATOM 456 C GLU A 34 4.035 -2.089 -4.783 1.00 0.00 C ATOM 457 O GLU A 34 4.077 -1.534 -5.882 1.00 0.00 O ATOM 458 CB GLU A 34 4.813 -4.460 -4.601 1.00 0.00 C ATOM 459 CG GLU A 34 5.930 -5.434 -4.267 1.00 0.00 C ATOM 460 CD GLU A 34 5.641 -6.841 -4.752 1.00 0.00 C ATOM 461 OE1 GLU A 34 4.744 -7.494 -4.179 1.00 0.00 O ATOM 462 OE2 GLU A 34 6.312 -7.290 -5.705 1.00 0.00 O ATOM 0 H GLU A 34 4.939 -3.440 -2.284 1.00 0.00 H new ATOM 0 HA GLU A 34 6.071 -2.740 -4.878 1.00 0.00 H new ATOM 0 HB2 GLU A 34 3.927 -4.725 -4.025 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.552 -4.566 -5.654 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.859 -5.083 -4.715 1.00 0.00 H new ATOM 0 HG3 GLU A 34 6.083 -5.450 -3.188 1.00 0.00 H new ATOM 469 N VAL A 35 3.021 -1.941 -3.937 1.00 0.00 N ATOM 470 CA VAL A 35 1.875 -1.099 -4.257 1.00 0.00 C ATOM 471 C VAL A 35 2.248 0.379 -4.209 1.00 0.00 C ATOM 472 O VAL A 35 1.853 1.158 -5.076 1.00 0.00 O ATOM 473 CB VAL A 35 0.704 -1.353 -3.289 1.00 0.00 C ATOM 474 CG1 VAL A 35 -0.497 -0.499 -3.667 1.00 0.00 C ATOM 475 CG2 VAL A 35 0.335 -2.829 -3.275 1.00 0.00 C ATOM 0 H VAL A 35 2.970 -2.394 -3.024 1.00 0.00 H new ATOM 0 HA VAL A 35 1.564 -1.360 -5.269 1.00 0.00 H new ATOM 0 HB VAL A 35 1.019 -1.071 -2.284 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.314 -0.692 -2.972 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.223 0.555 -3.621 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.816 -0.747 -4.679 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.494 -2.990 -2.586 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.039 -3.140 -4.277 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.195 -3.416 -2.952 1.00 0.00 H new ATOM 485 N PHE A 36 3.011 0.758 -3.189 1.00 0.00 N ATOM 486 CA PHE A 36 3.438 2.143 -3.027 1.00 0.00 C ATOM 487 C PHE A 36 4.937 2.282 -3.271 1.00 0.00 C ATOM 488 O PHE A 36 5.751 1.890 -2.436 1.00 0.00 O ATOM 489 CB PHE A 36 3.089 2.645 -1.624 1.00 0.00 C ATOM 490 CG PHE A 36 1.660 2.395 -1.236 1.00 0.00 C ATOM 491 CD1 PHE A 36 0.671 3.311 -1.557 1.00 0.00 C ATOM 492 CD2 PHE A 36 1.306 1.244 -0.550 1.00 0.00 C ATOM 493 CE1 PHE A 36 -0.645 3.084 -1.200 1.00 0.00 C ATOM 494 CE2 PHE A 36 -0.009 1.011 -0.191 1.00 0.00 C ATOM 495 CZ PHE A 36 -0.985 1.932 -0.517 1.00 0.00 C ATOM 0 H PHE A 36 3.346 0.126 -2.462 1.00 0.00 H new ATOM 0 HA PHE A 36 2.911 2.749 -3.764 1.00 0.00 H new ATOM 0 HB2 PHE A 36 3.744 2.160 -0.900 1.00 0.00 H new ATOM 0 HB3 PHE A 36 3.290 3.715 -1.569 1.00 0.00 H new ATOM 0 HD1 PHE A 36 0.931 4.212 -2.092 1.00 0.00 H new ATOM 0 HD2 PHE A 36 2.066 0.521 -0.293 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -1.407 3.806 -1.455 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.272 0.110 0.343 1.00 0.00 H new ATOM 0 HZ PHE A 36 -2.013 1.752 -0.238 1.00 0.00 H new ATOM 505 N GLU A 37 5.294 2.842 -4.423 1.00 0.00 N ATOM 506 CA GLU A 37 6.695 3.031 -4.778 1.00 0.00 C ATOM 507 C GLU A 37 7.204 4.382 -4.283 1.00 0.00 C ATOM 508 O GLU A 37 8.399 4.559 -4.044 1.00 0.00 O ATOM 509 CB GLU A 37 6.879 2.930 -6.294 1.00 0.00 C ATOM 510 CG GLU A 37 6.093 1.794 -6.927 1.00 0.00 C ATOM 511 CD GLU A 37 4.613 2.105 -7.049 1.00 0.00 C ATOM 512 OE1 GLU A 37 4.264 3.302 -7.121 1.00 0.00 O ATOM 513 OE2 GLU A 37 3.806 1.153 -7.073 1.00 0.00 O ATOM 0 H GLU A 37 4.632 3.172 -5.126 1.00 0.00 H new ATOM 0 HA GLU A 37 7.274 2.244 -4.295 1.00 0.00 H new ATOM 0 HB2 GLU A 37 6.575 3.871 -6.752 1.00 0.00 H new ATOM 0 HB3 GLU A 37 7.938 2.796 -6.515 1.00 0.00 H new ATOM 0 HG2 GLU A 37 6.499 1.584 -7.916 1.00 0.00 H new ATOM 0 HG3 GLU A 37 6.223 0.891 -6.331 1.00 0.00 H new ATOM 520 N LYS A 38 6.289 5.333 -4.131 1.00 0.00 N ATOM 521 CA LYS A 38 6.642 6.668 -3.664 1.00 0.00 C ATOM 522 C LYS A 38 6.710 6.712 -2.141 1.00 0.00 C ATOM 523 O LYS A 38 7.237 7.660 -1.560 1.00 0.00 O ATOM 524 CB LYS A 38 5.625 7.694 -4.169 1.00 0.00 C ATOM 525 CG LYS A 38 5.162 7.440 -5.594 1.00 0.00 C ATOM 526 CD LYS A 38 6.255 7.758 -6.600 1.00 0.00 C ATOM 527 CE LYS A 38 6.203 9.213 -7.039 1.00 0.00 C ATOM 528 NZ LYS A 38 7.549 9.727 -7.417 1.00 0.00 N ATOM 0 H LYS A 38 5.296 5.204 -4.325 1.00 0.00 H new ATOM 0 HA LYS A 38 7.626 6.915 -4.062 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.758 7.690 -3.508 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.066 8.689 -4.111 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.861 6.398 -5.699 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.283 8.049 -5.806 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.229 7.544 -6.160 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.149 7.110 -7.470 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.525 9.313 -7.887 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.795 9.822 -6.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 7.471 10.722 -7.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 8.190 9.656 -6.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.928 9.163 -8.204 1.00 0.00 H new ATOM 542 N ALA A 39 6.174 5.678 -1.500 1.00 0.00 N ATOM 543 CA ALA A 39 6.177 5.597 -0.044 1.00 0.00 C ATOM 544 C ALA A 39 7.600 5.619 0.504 1.00 0.00 C ATOM 545 O ALA A 39 8.368 4.678 0.306 1.00 0.00 O ATOM 546 CB ALA A 39 5.451 4.341 0.416 1.00 0.00 C ATOM 0 H ALA A 39 5.732 4.885 -1.966 1.00 0.00 H new ATOM 0 HA ALA A 39 5.652 6.470 0.345 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.461 4.293 1.505 1.00 0.00 H new ATOM 0 HB2 ALA A 39 4.420 4.367 0.063 1.00 0.00 H new ATOM 0 HB3 ALA A 39 5.952 3.462 0.010 1.00 0.00 H new ATOM 552 N THR A 40 7.946 6.701 1.194 1.00 0.00 N ATOM 553 CA THR A 40 9.277 6.847 1.770 1.00 0.00 C ATOM 554 C THR A 40 9.475 5.898 2.946 1.00 0.00 C ATOM 555 O THR A 40 10.603 5.645 3.370 1.00 0.00 O ATOM 556 CB THR A 40 9.530 8.292 2.241 1.00 0.00 C ATOM 557 OG1 THR A 40 8.687 8.597 3.358 1.00 0.00 O ATOM 558 CG2 THR A 40 9.269 9.282 1.116 1.00 0.00 C ATOM 0 H THR A 40 7.323 7.489 1.368 1.00 0.00 H new ATOM 0 HA THR A 40 9.990 6.599 0.984 1.00 0.00 H new ATOM 0 HB THR A 40 10.575 8.376 2.541 1.00 0.00 H new ATOM 0 HG1 THR A 40 8.855 9.516 3.653 1.00 0.00 H new ATOM 0 HG21 THR A 40 9.454 10.295 1.473 1.00 0.00 H new ATOM 0 HG22 THR A 40 9.933 9.065 0.279 1.00 0.00 H new ATOM 0 HG23 THR A 40 8.233 9.196 0.789 1.00 0.00 H new ATOM 566 N PHE A 41 8.371 5.375 3.470 1.00 0.00 N ATOM 567 CA PHE A 41 8.423 4.453 4.599 1.00 0.00 C ATOM 568 C PHE A 41 7.079 3.759 4.797 1.00 0.00 C ATOM 569 O PHE A 41 6.024 4.387 4.700 1.00 0.00 O ATOM 570 CB PHE A 41 8.818 5.199 5.875 1.00 0.00 C ATOM 571 CG PHE A 41 9.347 4.299 6.955 1.00 0.00 C ATOM 572 CD1 PHE A 41 10.678 3.912 6.962 1.00 0.00 C ATOM 573 CD2 PHE A 41 8.515 3.842 7.964 1.00 0.00 C ATOM 574 CE1 PHE A 41 11.167 3.084 7.955 1.00 0.00 C ATOM 575 CE2 PHE A 41 8.999 3.014 8.959 1.00 0.00 C ATOM 576 CZ PHE A 41 10.327 2.635 8.955 1.00 0.00 C ATOM 0 H PHE A 41 7.430 5.574 3.131 1.00 0.00 H new ATOM 0 HA PHE A 41 9.175 3.694 4.382 1.00 0.00 H new ATOM 0 HB2 PHE A 41 9.575 5.945 5.631 1.00 0.00 H new ATOM 0 HB3 PHE A 41 7.950 5.738 6.255 1.00 0.00 H new ATOM 0 HD1 PHE A 41 11.340 4.261 6.183 1.00 0.00 H new ATOM 0 HD2 PHE A 41 7.476 4.136 7.973 1.00 0.00 H new ATOM 0 HE1 PHE A 41 12.206 2.788 7.949 1.00 0.00 H new ATOM 0 HE2 PHE A 41 8.339 2.664 9.739 1.00 0.00 H new ATOM 0 HZ PHE A 41 10.708 1.989 9.732 1.00 0.00 H new ATOM 586 N ILE A 42 7.126 2.460 5.073 1.00 0.00 N ATOM 587 CA ILE A 42 5.913 1.681 5.285 1.00 0.00 C ATOM 588 C ILE A 42 5.955 0.951 6.623 1.00 0.00 C ATOM 589 O ILE A 42 6.944 0.297 6.956 1.00 0.00 O ATOM 590 CB ILE A 42 5.701 0.652 4.159 1.00 0.00 C ATOM 591 CG1 ILE A 42 5.433 1.364 2.831 1.00 0.00 C ATOM 592 CG2 ILE A 42 4.552 -0.284 4.505 1.00 0.00 C ATOM 593 CD1 ILE A 42 5.509 0.450 1.629 1.00 0.00 C ATOM 0 H ILE A 42 7.991 1.925 5.155 1.00 0.00 H new ATOM 0 HA ILE A 42 5.082 2.386 5.284 1.00 0.00 H new ATOM 0 HB ILE A 42 6.609 0.058 4.055 1.00 0.00 H new ATOM 0 HG12 ILE A 42 4.445 1.822 2.867 1.00 0.00 H new ATOM 0 HG13 ILE A 42 6.155 2.172 2.709 1.00 0.00 H new ATOM 0 HG21 ILE A 42 4.415 -1.005 3.699 1.00 0.00 H new ATOM 0 HG22 ILE A 42 4.780 -0.813 5.431 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.637 0.295 4.633 1.00 0.00 H new ATOM 0 HD11 ILE A 42 5.308 1.022 0.723 1.00 0.00 H new ATOM 0 HD12 ILE A 42 6.505 0.011 1.568 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.768 -0.344 1.728 1.00 0.00 H new ATOM 605 N LYS A 43 4.874 1.066 7.388 1.00 0.00 N ATOM 606 CA LYS A 43 4.785 0.415 8.689 1.00 0.00 C ATOM 607 C LYS A 43 3.580 -0.520 8.749 1.00 0.00 C ATOM 608 O LYS A 43 2.473 -0.147 8.360 1.00 0.00 O ATOM 609 CB LYS A 43 4.686 1.462 9.801 1.00 0.00 C ATOM 610 CG LYS A 43 5.044 0.926 11.176 1.00 0.00 C ATOM 611 CD LYS A 43 6.548 0.900 11.389 1.00 0.00 C ATOM 612 CE LYS A 43 6.926 0.043 12.588 1.00 0.00 C ATOM 613 NZ LYS A 43 6.939 0.832 13.851 1.00 0.00 N ATOM 0 H LYS A 43 4.047 1.604 7.129 1.00 0.00 H new ATOM 0 HA LYS A 43 5.689 -0.176 8.834 1.00 0.00 H new ATOM 0 HB2 LYS A 43 5.346 2.296 9.563 1.00 0.00 H new ATOM 0 HB3 LYS A 43 3.670 1.857 9.827 1.00 0.00 H new ATOM 0 HG2 LYS A 43 4.578 1.546 11.942 1.00 0.00 H new ATOM 0 HG3 LYS A 43 4.642 -0.080 11.291 1.00 0.00 H new ATOM 0 HD2 LYS A 43 7.037 0.513 10.495 1.00 0.00 H new ATOM 0 HD3 LYS A 43 6.913 1.916 11.537 1.00 0.00 H new ATOM 0 HE2 LYS A 43 6.220 -0.782 12.682 1.00 0.00 H new ATOM 0 HE3 LYS A 43 7.910 -0.397 12.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 7.201 0.213 14.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 7.631 1.604 13.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 5.994 1.231 14.021 1.00 0.00 H new ATOM 627 N VAL A 44 3.804 -1.735 9.239 1.00 0.00 N ATOM 628 CA VAL A 44 2.736 -2.722 9.352 1.00 0.00 C ATOM 629 C VAL A 44 2.744 -3.385 10.725 1.00 0.00 C ATOM 630 O VAL A 44 3.512 -4.309 10.991 1.00 0.00 O ATOM 631 CB VAL A 44 2.861 -3.809 8.268 1.00 0.00 C ATOM 632 CG1 VAL A 44 4.301 -4.283 8.150 1.00 0.00 C ATOM 633 CG2 VAL A 44 1.931 -4.974 8.573 1.00 0.00 C ATOM 0 H VAL A 44 4.715 -2.060 9.564 1.00 0.00 H new ATOM 0 HA VAL A 44 1.795 -2.189 9.215 1.00 0.00 H new ATOM 0 HB VAL A 44 2.566 -3.379 7.311 1.00 0.00 H new ATOM 0 HG11 VAL A 44 4.369 -5.051 7.379 1.00 0.00 H new ATOM 0 HG12 VAL A 44 4.940 -3.442 7.882 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.627 -4.697 9.104 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.032 -5.733 7.797 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.193 -5.405 9.539 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.901 -4.619 8.602 1.00 0.00 H new ATOM 643 N PRO A 45 1.867 -2.904 11.619 1.00 0.00 N ATOM 644 CA PRO A 45 1.752 -3.436 12.980 1.00 0.00 C ATOM 645 C PRO A 45 1.157 -4.839 13.005 1.00 0.00 C ATOM 646 O PRO A 45 -0.012 -5.033 12.672 1.00 0.00 O ATOM 647 CB PRO A 45 0.812 -2.444 13.670 1.00 0.00 C ATOM 648 CG PRO A 45 0.009 -1.851 12.564 1.00 0.00 C ATOM 649 CD PRO A 45 0.921 -1.803 11.369 1.00 0.00 C ATOM 0 HA PRO A 45 2.724 -3.531 13.464 1.00 0.00 H new ATOM 0 HB2 PRO A 45 0.174 -2.944 14.398 1.00 0.00 H new ATOM 0 HB3 PRO A 45 1.370 -1.678 14.208 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -0.875 -2.455 12.356 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -0.341 -0.853 12.828 1.00 0.00 H new ATOM 0 HD2 PRO A 45 0.372 -1.948 10.438 1.00 0.00 H new ATOM 0 HD3 PRO A 45 1.432 -0.843 11.292 1.00 0.00 H new ATOM 657 N GLN A 46 1.968 -5.814 13.401 1.00 0.00 N ATOM 658 CA GLN A 46 1.520 -7.200 13.469 1.00 0.00 C ATOM 659 C GLN A 46 1.665 -7.751 14.884 1.00 0.00 C ATOM 660 O GLN A 46 2.508 -7.294 15.655 1.00 0.00 O ATOM 661 CB GLN A 46 2.316 -8.064 12.490 1.00 0.00 C ATOM 662 CG GLN A 46 3.766 -7.634 12.338 1.00 0.00 C ATOM 663 CD GLN A 46 4.563 -8.571 11.452 1.00 0.00 C ATOM 664 OE1 GLN A 46 5.225 -9.489 11.937 1.00 0.00 O ATOM 665 NE2 GLN A 46 4.504 -8.344 10.145 1.00 0.00 N ATOM 0 H GLN A 46 2.939 -5.670 13.680 1.00 0.00 H new ATOM 0 HA GLN A 46 0.466 -7.228 13.194 1.00 0.00 H new ATOM 0 HB2 GLN A 46 2.287 -9.100 12.826 1.00 0.00 H new ATOM 0 HB3 GLN A 46 1.832 -8.032 11.514 1.00 0.00 H new ATOM 0 HG2 GLN A 46 3.801 -6.628 11.920 1.00 0.00 H new ATOM 0 HG3 GLN A 46 4.232 -7.587 13.322 1.00 0.00 H new ATOM 0 HE21 GLN A 46 3.943 -7.572 9.786 1.00 0.00 H new ATOM 0 HE22 GLN A 46 5.020 -8.942 9.500 1.00 0.00 H new ATOM 726 N LYS A 51 0.647 -11.785 12.747 1.00 0.00 N ATOM 727 CA LYS A 51 -0.553 -11.441 11.994 1.00 0.00 C ATOM 728 C LYS A 51 -0.844 -9.946 12.087 1.00 0.00 C ATOM 729 O LYS A 51 -1.024 -9.406 13.179 1.00 0.00 O ATOM 730 CB LYS A 51 -1.752 -12.238 12.513 1.00 0.00 C ATOM 731 CG LYS A 51 -1.858 -13.632 11.920 1.00 0.00 C ATOM 732 CD LYS A 51 -3.161 -14.308 12.313 1.00 0.00 C ATOM 733 CE LYS A 51 -3.406 -15.565 11.492 1.00 0.00 C ATOM 734 NZ LYS A 51 -4.018 -15.253 10.170 1.00 0.00 N ATOM 0 HA LYS A 51 -0.381 -11.695 10.948 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -1.682 -12.318 13.598 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -2.667 -11.688 12.292 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -1.791 -13.572 10.834 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -1.017 -14.237 12.258 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -3.135 -14.563 13.372 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.989 -13.613 12.173 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -2.463 -16.090 11.341 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -4.060 -16.239 12.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -5.009 -15.570 10.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -3.981 -14.227 10.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -3.492 -15.744 9.419 1.00 0.00 H new ATOM 748 N SER A 52 -0.891 -9.284 10.936 1.00 0.00 N ATOM 749 CA SER A 52 -1.158 -7.851 10.888 1.00 0.00 C ATOM 750 C SER A 52 -2.453 -7.516 11.622 1.00 0.00 C ATOM 751 O SER A 52 -3.441 -8.244 11.527 1.00 0.00 O ATOM 752 CB SER A 52 -1.243 -7.375 9.437 1.00 0.00 C ATOM 753 OG SER A 52 -0.827 -6.025 9.318 1.00 0.00 O ATOM 0 H SER A 52 -0.748 -9.717 10.024 1.00 0.00 H new ATOM 0 HA SER A 52 -0.335 -7.336 11.384 1.00 0.00 H new ATOM 0 HB2 SER A 52 -0.619 -8.008 8.806 1.00 0.00 H new ATOM 0 HB3 SER A 52 -2.267 -7.476 9.077 1.00 0.00 H new ATOM 0 HG SER A 52 -1.562 -5.487 8.958 1.00 0.00 H new ATOM 759 N LYS A 53 -2.440 -6.407 12.354 1.00 0.00 N ATOM 760 CA LYS A 53 -3.612 -5.971 13.104 1.00 0.00 C ATOM 761 C LYS A 53 -4.795 -5.728 12.172 1.00 0.00 C ATOM 762 O LYS A 53 -5.950 -5.901 12.561 1.00 0.00 O ATOM 763 CB LYS A 53 -3.297 -4.695 13.888 1.00 0.00 C ATOM 764 CG LYS A 53 -2.187 -4.869 14.911 1.00 0.00 C ATOM 765 CD LYS A 53 -2.380 -3.947 16.103 1.00 0.00 C ATOM 766 CE LYS A 53 -1.866 -4.581 17.387 1.00 0.00 C ATOM 767 NZ LYS A 53 -2.937 -5.324 18.105 1.00 0.00 N ATOM 0 H LYS A 53 -1.630 -5.793 12.444 1.00 0.00 H new ATOM 0 HA LYS A 53 -3.879 -6.763 13.804 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -3.015 -3.909 13.188 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -4.200 -4.359 14.398 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -2.163 -5.904 15.251 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -1.224 -4.664 14.443 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -1.858 -3.007 15.926 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -3.438 -3.708 16.212 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -1.046 -5.260 17.154 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -1.462 -3.806 18.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -2.547 -5.741 18.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -3.708 -4.671 18.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -3.305 -6.080 17.493 1.00 0.00 H new ATOM 781 N GLY A 54 -4.500 -5.328 10.939 1.00 0.00 N ATOM 782 CA GLY A 54 -5.549 -5.069 9.971 1.00 0.00 C ATOM 783 C GLY A 54 -5.402 -3.717 9.303 1.00 0.00 C ATOM 784 O GLY A 54 -6.254 -3.311 8.512 1.00 0.00 O ATOM 0 H GLY A 54 -3.552 -5.179 10.593 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -5.538 -5.850 9.210 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -6.518 -5.122 10.467 1.00 0.00 H new ATOM 788 N TYR A 55 -4.320 -3.016 9.623 1.00 0.00 N ATOM 789 CA TYR A 55 -4.066 -1.698 9.052 1.00 0.00 C ATOM 790 C TYR A 55 -2.569 -1.455 8.888 1.00 0.00 C ATOM 791 O TYR A 55 -1.746 -2.216 9.395 1.00 0.00 O ATOM 792 CB TYR A 55 -4.678 -0.610 9.935 1.00 0.00 C ATOM 793 CG TYR A 55 -4.387 -0.790 11.408 1.00 0.00 C ATOM 794 CD1 TYR A 55 -5.062 -1.746 12.157 1.00 0.00 C ATOM 795 CD2 TYR A 55 -3.438 -0.005 12.050 1.00 0.00 C ATOM 796 CE1 TYR A 55 -4.801 -1.914 13.503 1.00 0.00 C ATOM 797 CE2 TYR A 55 -3.169 -0.167 13.395 1.00 0.00 C ATOM 798 CZ TYR A 55 -3.853 -1.123 14.117 1.00 0.00 C ATOM 799 OH TYR A 55 -3.588 -1.287 15.458 1.00 0.00 O ATOM 0 H TYR A 55 -3.605 -3.338 10.275 1.00 0.00 H new ATOM 0 HA TYR A 55 -4.531 -1.661 8.067 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -4.300 0.361 9.615 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -5.758 -0.597 9.786 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -5.804 -2.369 11.679 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -2.901 0.745 11.488 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -5.336 -2.660 14.071 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -2.427 0.451 13.879 1.00 0.00 H new ATOM 0 HH TYR A 55 -2.894 -0.653 15.734 1.00 0.00 H new ATOM 809 N ALA A 56 -2.225 -0.386 8.177 1.00 0.00 N ATOM 810 CA ALA A 56 -0.827 -0.039 7.948 1.00 0.00 C ATOM 811 C ALA A 56 -0.645 1.472 7.858 1.00 0.00 C ATOM 812 O ALA A 56 -1.601 2.210 7.617 1.00 0.00 O ATOM 813 CB ALA A 56 -0.317 -0.711 6.682 1.00 0.00 C ATOM 0 H ALA A 56 -2.894 0.254 7.750 1.00 0.00 H new ATOM 0 HA ALA A 56 -0.245 -0.399 8.796 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.728 -0.443 6.523 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.403 -1.793 6.784 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.910 -0.379 5.830 1.00 0.00 H new ATOM 819 N PHE A 57 0.588 1.927 8.053 1.00 0.00 N ATOM 820 CA PHE A 57 0.895 3.352 7.995 1.00 0.00 C ATOM 821 C PHE A 57 1.920 3.643 6.903 1.00 0.00 C ATOM 822 O PHE A 57 3.091 3.283 7.024 1.00 0.00 O ATOM 823 CB PHE A 57 1.423 3.837 9.347 1.00 0.00 C ATOM 824 CG PHE A 57 0.359 3.942 10.403 1.00 0.00 C ATOM 825 CD1 PHE A 57 -0.617 4.922 10.326 1.00 0.00 C ATOM 826 CD2 PHE A 57 0.336 3.061 11.472 1.00 0.00 C ATOM 827 CE1 PHE A 57 -1.597 5.022 11.295 1.00 0.00 C ATOM 828 CE2 PHE A 57 -0.642 3.155 12.444 1.00 0.00 C ATOM 829 CZ PHE A 57 -1.609 4.138 12.356 1.00 0.00 C ATOM 0 H PHE A 57 1.391 1.330 8.253 1.00 0.00 H new ATOM 0 HA PHE A 57 -0.025 3.887 7.758 1.00 0.00 H new ATOM 0 HB2 PHE A 57 2.199 3.154 9.691 1.00 0.00 H new ATOM 0 HB3 PHE A 57 1.892 4.812 9.216 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -0.612 5.616 9.499 1.00 0.00 H new ATOM 0 HD2 PHE A 57 1.091 2.292 11.547 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -2.353 5.790 11.223 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -0.650 2.461 13.271 1.00 0.00 H new ATOM 0 HZ PHE A 57 -2.373 4.215 13.116 1.00 0.00 H new ATOM 839 N ILE A 58 1.470 4.296 5.837 1.00 0.00 N ATOM 840 CA ILE A 58 2.347 4.636 4.723 1.00 0.00 C ATOM 841 C ILE A 58 2.885 6.057 4.861 1.00 0.00 C ATOM 842 O ILE A 58 2.162 6.968 5.264 1.00 0.00 O ATOM 843 CB ILE A 58 1.619 4.504 3.373 1.00 0.00 C ATOM 844 CG1 ILE A 58 0.726 3.262 3.369 1.00 0.00 C ATOM 845 CG2 ILE A 58 2.625 4.443 2.233 1.00 0.00 C ATOM 846 CD1 ILE A 58 1.447 1.998 3.783 1.00 0.00 C ATOM 0 H ILE A 58 0.503 4.600 5.721 1.00 0.00 H new ATOM 0 HA ILE A 58 3.178 3.931 4.749 1.00 0.00 H new ATOM 0 HB ILE A 58 0.989 5.382 3.230 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.116 3.427 4.042 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.313 3.124 2.370 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.095 4.350 1.285 1.00 0.00 H new ATOM 0 HG22 ILE A 58 3.223 5.354 2.226 1.00 0.00 H new ATOM 0 HG23 ILE A 58 3.278 3.581 2.370 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.753 1.158 3.757 1.00 0.00 H new ATOM 0 HD12 ILE A 58 2.272 1.808 3.096 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.836 2.116 4.794 1.00 0.00 H new ATOM 858 N GLU A 59 4.158 6.237 4.523 1.00 0.00 N ATOM 859 CA GLU A 59 4.792 7.547 4.608 1.00 0.00 C ATOM 860 C GLU A 59 5.352 7.970 3.253 1.00 0.00 C ATOM 861 O GLU A 59 5.959 7.168 2.542 1.00 0.00 O ATOM 862 CB GLU A 59 5.910 7.530 5.652 1.00 0.00 C ATOM 863 CG GLU A 59 6.193 8.893 6.263 1.00 0.00 C ATOM 864 CD GLU A 59 7.507 8.931 7.019 1.00 0.00 C ATOM 865 OE1 GLU A 59 7.766 7.998 7.807 1.00 0.00 O ATOM 866 OE2 GLU A 59 8.276 9.895 6.822 1.00 0.00 O ATOM 0 H GLU A 59 4.770 5.493 4.188 1.00 0.00 H new ATOM 0 HA GLU A 59 4.034 8.270 4.910 1.00 0.00 H new ATOM 0 HB2 GLU A 59 5.643 6.833 6.447 1.00 0.00 H new ATOM 0 HB3 GLU A 59 6.822 7.152 5.190 1.00 0.00 H new ATOM 0 HG2 GLU A 59 6.210 9.645 5.474 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.381 9.160 6.939 1.00 0.00 H new ATOM 873 N PHE A 60 5.145 9.234 2.902 1.00 0.00 N ATOM 874 CA PHE A 60 5.627 9.764 1.632 1.00 0.00 C ATOM 875 C PHE A 60 6.405 11.060 1.843 1.00 0.00 C ATOM 876 O PHE A 60 6.542 11.537 2.969 1.00 0.00 O ATOM 877 CB PHE A 60 4.456 10.009 0.678 1.00 0.00 C ATOM 878 CG PHE A 60 3.651 8.774 0.388 1.00 0.00 C ATOM 879 CD1 PHE A 60 2.749 8.284 1.318 1.00 0.00 C ATOM 880 CD2 PHE A 60 3.798 8.103 -0.816 1.00 0.00 C ATOM 881 CE1 PHE A 60 2.007 7.148 1.053 1.00 0.00 C ATOM 882 CE2 PHE A 60 3.058 6.968 -1.086 1.00 0.00 C ATOM 883 CZ PHE A 60 2.163 6.489 -0.150 1.00 0.00 C ATOM 0 H PHE A 60 4.646 9.911 3.479 1.00 0.00 H new ATOM 0 HA PHE A 60 6.297 9.026 1.191 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.801 10.768 1.107 1.00 0.00 H new ATOM 0 HB3 PHE A 60 4.840 10.412 -0.260 1.00 0.00 H new ATOM 0 HD1 PHE A 60 2.624 8.795 2.261 1.00 0.00 H new ATOM 0 HD2 PHE A 60 4.498 8.471 -1.551 1.00 0.00 H new ATOM 0 HE1 PHE A 60 1.306 6.777 1.786 1.00 0.00 H new ATOM 0 HE2 PHE A 60 3.180 6.456 -2.029 1.00 0.00 H new ATOM 0 HZ PHE A 60 1.586 5.600 -0.359 1.00 0.00 H new ATOM 893 N ALA A 61 6.913 11.623 0.752 1.00 0.00 N ATOM 894 CA ALA A 61 7.675 12.864 0.816 1.00 0.00 C ATOM 895 C ALA A 61 6.801 14.021 1.287 1.00 0.00 C ATOM 896 O ALA A 61 7.281 14.949 1.938 1.00 0.00 O ATOM 897 CB ALA A 61 8.286 13.179 -0.541 1.00 0.00 C ATOM 0 H ALA A 61 6.811 11.239 -0.187 1.00 0.00 H new ATOM 0 HA ALA A 61 8.478 12.731 1.541 1.00 0.00 H new ATOM 0 HB1 ALA A 61 8.852 14.108 -0.478 1.00 0.00 H new ATOM 0 HB2 ALA A 61 8.951 12.368 -0.838 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.493 13.287 -1.281 1.00 0.00 H new ATOM 903 N SER A 62 5.516 13.961 0.952 1.00 0.00 N ATOM 904 CA SER A 62 4.576 15.007 1.337 1.00 0.00 C ATOM 905 C SER A 62 3.151 14.628 0.943 1.00 0.00 C ATOM 906 O SER A 62 2.915 13.565 0.369 1.00 0.00 O ATOM 907 CB SER A 62 4.962 16.335 0.683 1.00 0.00 C ATOM 908 OG SER A 62 4.570 17.433 1.488 1.00 0.00 O ATOM 0 H SER A 62 5.102 13.199 0.415 1.00 0.00 H new ATOM 0 HA SER A 62 4.618 15.118 2.420 1.00 0.00 H new ATOM 0 HB2 SER A 62 6.040 16.365 0.522 1.00 0.00 H new ATOM 0 HB3 SER A 62 4.491 16.412 -0.297 1.00 0.00 H new ATOM 0 HG SER A 62 4.830 18.270 1.049 1.00 0.00 H new ATOM 914 N PHE A 63 2.205 15.507 1.255 1.00 0.00 N ATOM 915 CA PHE A 63 0.803 15.267 0.935 1.00 0.00 C ATOM 916 C PHE A 63 0.605 15.120 -0.571 1.00 0.00 C ATOM 917 O PHE A 63 -0.469 14.738 -1.032 1.00 0.00 O ATOM 918 CB PHE A 63 -0.067 16.408 1.466 1.00 0.00 C ATOM 919 CG PHE A 63 -1.365 16.567 0.727 1.00 0.00 C ATOM 920 CD1 PHE A 63 -2.421 15.700 0.960 1.00 0.00 C ATOM 921 CD2 PHE A 63 -1.529 17.583 -0.200 1.00 0.00 C ATOM 922 CE1 PHE A 63 -3.615 15.844 0.281 1.00 0.00 C ATOM 923 CE2 PHE A 63 -2.722 17.732 -0.883 1.00 0.00 C ATOM 924 CZ PHE A 63 -3.767 16.862 -0.641 1.00 0.00 C ATOM 0 H PHE A 63 2.384 16.392 1.729 1.00 0.00 H new ATOM 0 HA PHE A 63 0.502 14.336 1.416 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -0.278 16.232 2.521 1.00 0.00 H new ATOM 0 HB3 PHE A 63 0.494 17.341 1.404 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -2.309 14.903 1.680 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -0.715 18.267 -0.392 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -4.430 15.161 0.471 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -2.836 18.527 -1.605 1.00 0.00 H new ATOM 0 HZ PHE A 63 -4.701 16.977 -1.171 1.00 0.00 H new ATOM 934 N GLU A 64 1.652 15.428 -1.331 1.00 0.00 N ATOM 935 CA GLU A 64 1.593 15.333 -2.785 1.00 0.00 C ATOM 936 C GLU A 64 1.650 13.876 -3.237 1.00 0.00 C ATOM 937 O GLU A 64 0.737 13.385 -3.901 1.00 0.00 O ATOM 938 CB GLU A 64 2.743 16.120 -3.417 1.00 0.00 C ATOM 939 CG GLU A 64 2.401 17.573 -3.702 1.00 0.00 C ATOM 940 CD GLU A 64 1.735 17.761 -5.051 1.00 0.00 C ATOM 941 OE1 GLU A 64 0.852 16.947 -5.395 1.00 0.00 O ATOM 942 OE2 GLU A 64 2.095 18.722 -5.763 1.00 0.00 O ATOM 0 H GLU A 64 2.550 15.745 -0.964 1.00 0.00 H new ATOM 0 HA GLU A 64 0.646 15.761 -3.114 1.00 0.00 H new ATOM 0 HB2 GLU A 64 3.606 16.082 -2.753 1.00 0.00 H new ATOM 0 HB3 GLU A 64 3.036 15.635 -4.348 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.741 17.947 -2.920 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.311 18.171 -3.664 1.00 0.00 H new ATOM 949 N ASP A 65 2.729 13.192 -2.874 1.00 0.00 N ATOM 950 CA ASP A 65 2.907 11.792 -3.241 1.00 0.00 C ATOM 951 C ASP A 65 1.868 10.914 -2.551 1.00 0.00 C ATOM 952 O ASP A 65 1.258 10.048 -3.179 1.00 0.00 O ATOM 953 CB ASP A 65 4.315 11.321 -2.874 1.00 0.00 C ATOM 954 CG ASP A 65 5.315 11.561 -3.988 1.00 0.00 C ATOM 955 OD1 ASP A 65 4.901 11.559 -5.167 1.00 0.00 O ATOM 956 OD2 ASP A 65 6.510 11.752 -3.682 1.00 0.00 O ATOM 0 H ASP A 65 3.494 13.584 -2.326 1.00 0.00 H new ATOM 0 HA ASP A 65 2.773 11.705 -4.319 1.00 0.00 H new ATOM 0 HB2 ASP A 65 4.646 11.841 -1.975 1.00 0.00 H new ATOM 0 HB3 ASP A 65 4.289 10.258 -2.636 1.00 0.00 H new ATOM 961 N ALA A 66 1.672 11.143 -1.257 1.00 0.00 N ATOM 962 CA ALA A 66 0.706 10.373 -0.483 1.00 0.00 C ATOM 963 C ALA A 66 -0.659 10.362 -1.163 1.00 0.00 C ATOM 964 O ALA A 66 -1.316 9.324 -1.242 1.00 0.00 O ATOM 965 CB ALA A 66 0.591 10.935 0.926 1.00 0.00 C ATOM 0 H ALA A 66 2.169 11.855 -0.722 1.00 0.00 H new ATOM 0 HA ALA A 66 1.062 9.344 -0.424 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -0.134 10.351 1.493 1.00 0.00 H new ATOM 0 HB2 ALA A 66 1.562 10.885 1.418 1.00 0.00 H new ATOM 0 HB3 ALA A 66 0.262 11.973 0.878 1.00 0.00 H new ATOM 971 N LYS A 67 -1.080 11.523 -1.651 1.00 0.00 N ATOM 972 CA LYS A 67 -2.367 11.648 -2.325 1.00 0.00 C ATOM 973 C LYS A 67 -2.334 10.971 -3.692 1.00 0.00 C ATOM 974 O LYS A 67 -3.353 10.479 -4.175 1.00 0.00 O ATOM 975 CB LYS A 67 -2.742 13.124 -2.485 1.00 0.00 C ATOM 976 CG LYS A 67 -4.010 13.346 -3.290 1.00 0.00 C ATOM 977 CD LYS A 67 -5.228 12.780 -2.580 1.00 0.00 C ATOM 978 CE LYS A 67 -5.641 13.650 -1.403 1.00 0.00 C ATOM 979 NZ LYS A 67 -6.997 13.295 -0.900 1.00 0.00 N ATOM 0 H LYS A 67 -0.549 12.392 -1.593 1.00 0.00 H new ATOM 0 HA LYS A 67 -3.119 11.152 -1.711 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -2.867 13.568 -1.497 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -1.918 13.649 -2.969 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -4.151 14.413 -3.461 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -3.908 12.877 -4.269 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -6.057 12.701 -3.284 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -5.010 11.771 -2.229 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -4.915 13.540 -0.598 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -5.628 14.698 -1.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -7.242 13.910 -0.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -7.694 13.424 -1.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -7.003 12.303 -0.589 1.00 0.00 H new ATOM 993 N GLU A 68 -1.156 10.949 -4.308 1.00 0.00 N ATOM 994 CA GLU A 68 -0.992 10.331 -5.618 1.00 0.00 C ATOM 995 C GLU A 68 -1.282 8.835 -5.554 1.00 0.00 C ATOM 996 O GLU A 68 -1.871 8.266 -6.473 1.00 0.00 O ATOM 997 CB GLU A 68 0.427 10.565 -6.143 1.00 0.00 C ATOM 998 CG GLU A 68 0.766 9.736 -7.370 1.00 0.00 C ATOM 999 CD GLU A 68 0.164 10.302 -8.641 1.00 0.00 C ATOM 1000 OE1 GLU A 68 -0.903 10.946 -8.556 1.00 0.00 O ATOM 1001 OE2 GLU A 68 0.758 10.100 -9.721 1.00 0.00 O ATOM 0 H GLU A 68 -0.302 11.352 -3.921 1.00 0.00 H new ATOM 0 HA GLU A 68 -1.705 10.793 -6.301 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.547 11.621 -6.384 1.00 0.00 H new ATOM 0 HB3 GLU A 68 1.141 10.336 -5.352 1.00 0.00 H new ATOM 0 HG2 GLU A 68 1.849 9.681 -7.479 1.00 0.00 H new ATOM 0 HG3 GLU A 68 0.408 8.717 -7.225 1.00 0.00 H new ATOM 1008 N ALA A 69 -0.865 8.203 -4.462 1.00 0.00 N ATOM 1009 CA ALA A 69 -1.081 6.773 -4.277 1.00 0.00 C ATOM 1010 C ALA A 69 -2.430 6.503 -3.621 1.00 0.00 C ATOM 1011 O ALA A 69 -3.074 5.489 -3.896 1.00 0.00 O ATOM 1012 CB ALA A 69 0.043 6.173 -3.445 1.00 0.00 C ATOM 0 H ALA A 69 -0.376 8.659 -3.692 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.083 6.300 -5.259 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.131 5.105 -3.315 1.00 0.00 H new ATOM 0 HB2 ALA A 69 0.994 6.326 -3.954 1.00 0.00 H new ATOM 0 HB3 ALA A 69 0.072 6.658 -2.469 1.00 0.00 H new ATOM 1018 N LEU A 70 -2.854 7.414 -2.751 1.00 0.00 N ATOM 1019 CA LEU A 70 -4.127 7.273 -2.055 1.00 0.00 C ATOM 1020 C LEU A 70 -5.295 7.368 -3.031 1.00 0.00 C ATOM 1021 O LEU A 70 -6.383 6.859 -2.764 1.00 0.00 O ATOM 1022 CB LEU A 70 -4.262 8.348 -0.975 1.00 0.00 C ATOM 1023 CG LEU A 70 -5.686 8.800 -0.651 1.00 0.00 C ATOM 1024 CD1 LEU A 70 -6.441 7.702 0.082 1.00 0.00 C ATOM 1025 CD2 LEU A 70 -5.666 10.079 0.174 1.00 0.00 C ATOM 0 H LEU A 70 -2.334 8.258 -2.511 1.00 0.00 H new ATOM 0 HA LEU A 70 -4.149 6.290 -1.585 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -3.804 7.974 -0.059 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -3.687 9.221 -1.286 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.203 9.005 -1.588 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.453 8.042 0.304 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -6.487 6.811 -0.545 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -5.925 7.465 1.013 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -6.688 10.385 0.395 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -5.131 9.902 1.107 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.165 10.867 -0.388 1.00 0.00 H new ATOM 1037 N ASN A 71 -5.061 8.022 -4.164 1.00 0.00 N ATOM 1038 CA ASN A 71 -6.094 8.182 -5.182 1.00 0.00 C ATOM 1039 C ASN A 71 -6.165 6.953 -6.083 1.00 0.00 C ATOM 1040 O ASN A 71 -7.222 6.627 -6.623 1.00 0.00 O ATOM 1041 CB ASN A 71 -5.820 9.430 -6.024 1.00 0.00 C ATOM 1042 CG ASN A 71 -6.370 10.691 -5.384 1.00 0.00 C ATOM 1043 OD1 ASN A 71 -7.368 10.650 -4.664 1.00 0.00 O ATOM 1044 ND2 ASN A 71 -5.720 11.819 -5.645 1.00 0.00 N ATOM 0 H ASN A 71 -4.166 8.450 -4.401 1.00 0.00 H new ATOM 0 HA ASN A 71 -7.053 8.296 -4.676 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -4.745 9.538 -6.169 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -6.264 9.304 -7.011 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -6.044 12.699 -5.243 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -4.897 11.806 -6.248 1.00 0.00 H new ATOM 1051 N SER A 72 -5.032 6.275 -6.240 1.00 0.00 N ATOM 1052 CA SER A 72 -4.965 5.084 -7.078 1.00 0.00 C ATOM 1053 C SER A 72 -5.079 3.818 -6.233 1.00 0.00 C ATOM 1054 O SER A 72 -6.056 3.075 -6.337 1.00 0.00 O ATOM 1055 CB SER A 72 -3.656 5.065 -7.871 1.00 0.00 C ATOM 1056 OG SER A 72 -3.806 5.722 -9.117 1.00 0.00 O ATOM 0 H SER A 72 -4.149 6.530 -5.798 1.00 0.00 H new ATOM 0 HA SER A 72 -5.803 5.112 -7.774 1.00 0.00 H new ATOM 0 HB2 SER A 72 -2.870 5.550 -7.293 1.00 0.00 H new ATOM 0 HB3 SER A 72 -3.341 4.034 -8.035 1.00 0.00 H new ATOM 0 HG SER A 72 -2.956 5.698 -9.604 1.00 0.00 H new ATOM 1062 N CYS A 73 -4.074 3.580 -5.398 1.00 0.00 N ATOM 1063 CA CYS A 73 -4.059 2.404 -4.535 1.00 0.00 C ATOM 1064 C CYS A 73 -5.410 2.214 -3.852 1.00 0.00 C ATOM 1065 O CYS A 73 -5.766 1.105 -3.456 1.00 0.00 O ATOM 1066 CB CYS A 73 -2.956 2.530 -3.484 1.00 0.00 C ATOM 1067 SG CYS A 73 -1.306 2.797 -4.175 1.00 0.00 S ATOM 0 H CYS A 73 -3.259 4.185 -5.300 1.00 0.00 H new ATOM 0 HA CYS A 73 -3.860 1.531 -5.156 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -3.197 3.358 -2.817 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -2.942 1.625 -2.877 1.00 0.00 H new ATOM 0 HG CYS A 73 -0.450 2.945 -3.208 1.00 0.00 H new ATOM 1073 N ASN A 74 -6.156 3.306 -3.715 1.00 0.00 N ATOM 1074 CA ASN A 74 -7.467 3.260 -3.077 1.00 0.00 C ATOM 1075 C ASN A 74 -8.209 1.980 -3.449 1.00 0.00 C ATOM 1076 O ASN A 74 -8.420 1.692 -4.627 1.00 0.00 O ATOM 1077 CB ASN A 74 -8.297 4.480 -3.482 1.00 0.00 C ATOM 1078 CG ASN A 74 -9.271 4.902 -2.399 1.00 0.00 C ATOM 1079 OD1 ASN A 74 -10.470 5.038 -2.646 1.00 0.00 O ATOM 1080 ND2 ASN A 74 -8.760 5.111 -1.192 1.00 0.00 N ATOM 0 H ASN A 74 -5.875 4.232 -4.037 1.00 0.00 H new ATOM 0 HA ASN A 74 -7.319 3.272 -1.997 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -7.629 5.311 -3.710 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -8.848 4.254 -4.395 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -9.367 5.396 -0.424 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -7.760 4.986 -1.033 1.00 0.00 H new ATOM 1087 N LYS A 75 -8.603 1.216 -2.437 1.00 0.00 N ATOM 1088 CA LYS A 75 -9.323 -0.033 -2.655 1.00 0.00 C ATOM 1089 C LYS A 75 -8.511 -0.984 -3.530 1.00 0.00 C ATOM 1090 O LYS A 75 -8.994 -1.463 -4.556 1.00 0.00 O ATOM 1091 CB LYS A 75 -10.679 0.244 -3.307 1.00 0.00 C ATOM 1092 CG LYS A 75 -11.510 1.278 -2.567 1.00 0.00 C ATOM 1093 CD LYS A 75 -12.399 0.633 -1.518 1.00 0.00 C ATOM 1094 CE LYS A 75 -12.935 1.661 -0.533 1.00 0.00 C ATOM 1095 NZ LYS A 75 -14.219 2.256 -0.998 1.00 0.00 N ATOM 0 H LYS A 75 -8.436 1.440 -1.456 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.482 -0.506 -1.686 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -10.518 0.584 -4.330 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -11.242 -0.688 -3.366 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -10.850 2.003 -2.090 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -12.126 1.828 -3.279 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -13.232 0.127 -2.007 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -11.835 -0.129 -0.980 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -13.083 1.190 0.439 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -12.197 2.451 -0.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -14.552 2.952 -0.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -14.072 2.727 -1.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -14.931 1.505 -1.105 1.00 0.00 H new ATOM 1109 N ARG A 76 -7.277 -1.253 -3.116 1.00 0.00 N ATOM 1110 CA ARG A 76 -6.399 -2.146 -3.862 1.00 0.00 C ATOM 1111 C ARG A 76 -6.607 -3.596 -3.433 1.00 0.00 C ATOM 1112 O ARG A 76 -6.505 -3.923 -2.251 1.00 0.00 O ATOM 1113 CB ARG A 76 -4.937 -1.747 -3.657 1.00 0.00 C ATOM 1114 CG ARG A 76 -3.948 -2.702 -4.306 1.00 0.00 C ATOM 1115 CD ARG A 76 -3.629 -2.288 -5.734 1.00 0.00 C ATOM 1116 NE ARG A 76 -2.373 -2.866 -6.204 1.00 0.00 N ATOM 1117 CZ ARG A 76 -1.727 -2.441 -7.284 1.00 0.00 C ATOM 1118 NH1 ARG A 76 -2.216 -1.439 -8.002 1.00 0.00 N ATOM 1119 NH2 ARG A 76 -0.589 -3.018 -7.648 1.00 0.00 N ATOM 0 H ARG A 76 -6.863 -0.865 -2.268 1.00 0.00 H new ATOM 0 HA ARG A 76 -6.647 -2.059 -4.920 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -4.782 -0.747 -4.061 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -4.730 -1.694 -2.588 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -3.029 -2.730 -3.720 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -4.359 -3.711 -4.302 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -4.440 -2.600 -6.392 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -3.572 -1.201 -5.792 1.00 0.00 H new ATOM 0 HE ARG A 76 -1.970 -3.638 -5.674 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -3.090 -0.993 -7.725 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -1.718 -1.115 -8.831 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -0.209 -3.789 -7.098 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -0.094 -2.691 -8.478 1.00 0.00 H new ATOM 1133 N GLU A 77 -6.899 -4.459 -4.401 1.00 0.00 N ATOM 1134 CA GLU A 77 -7.122 -5.872 -4.122 1.00 0.00 C ATOM 1135 C GLU A 77 -5.807 -6.578 -3.804 1.00 0.00 C ATOM 1136 O GLU A 77 -4.999 -6.839 -4.696 1.00 0.00 O ATOM 1137 CB GLU A 77 -7.802 -6.549 -5.314 1.00 0.00 C ATOM 1138 CG GLU A 77 -9.320 -6.515 -5.249 1.00 0.00 C ATOM 1139 CD GLU A 77 -9.962 -6.506 -6.622 1.00 0.00 C ATOM 1140 OE1 GLU A 77 -9.996 -7.575 -7.268 1.00 0.00 O ATOM 1141 OE2 GLU A 77 -10.431 -5.432 -7.052 1.00 0.00 O ATOM 0 H GLU A 77 -6.987 -4.204 -5.385 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.774 -5.946 -3.251 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -7.475 -6.062 -6.233 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -7.472 -7.586 -5.369 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -9.676 -7.381 -4.691 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -9.637 -5.629 -4.698 1.00 0.00 H new ATOM 1148 N ILE A 78 -5.600 -6.884 -2.528 1.00 0.00 N ATOM 1149 CA ILE A 78 -4.384 -7.560 -2.092 1.00 0.00 C ATOM 1150 C ILE A 78 -4.709 -8.760 -1.209 1.00 0.00 C ATOM 1151 O ILE A 78 -5.498 -8.656 -0.271 1.00 0.00 O ATOM 1152 CB ILE A 78 -3.455 -6.605 -1.320 1.00 0.00 C ATOM 1153 CG1 ILE A 78 -3.033 -5.436 -2.213 1.00 0.00 C ATOM 1154 CG2 ILE A 78 -2.234 -7.354 -0.807 1.00 0.00 C ATOM 1155 CD1 ILE A 78 -2.215 -4.389 -1.491 1.00 0.00 C ATOM 0 H ILE A 78 -6.258 -6.675 -1.778 1.00 0.00 H new ATOM 0 HA ILE A 78 -3.873 -7.902 -2.992 1.00 0.00 H new ATOM 0 HB ILE A 78 -3.999 -6.206 -0.464 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.455 -5.821 -3.053 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -3.925 -4.966 -2.628 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -1.587 -6.666 -0.263 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -2.552 -8.156 -0.141 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -1.687 -7.778 -1.649 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -1.951 -3.591 -2.185 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -2.798 -3.976 -0.668 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -1.305 -4.844 -1.099 1.00 0.00 H new ATOM 1167 N GLU A 79 -4.092 -9.897 -1.515 1.00 0.00 N ATOM 1168 CA GLU A 79 -4.315 -11.117 -0.747 1.00 0.00 C ATOM 1169 C GLU A 79 -5.773 -11.558 -0.838 1.00 0.00 C ATOM 1170 O GLU A 79 -6.282 -12.242 0.049 1.00 0.00 O ATOM 1171 CB GLU A 79 -3.925 -10.903 0.717 1.00 0.00 C ATOM 1172 CG GLU A 79 -2.429 -10.983 0.966 1.00 0.00 C ATOM 1173 CD GLU A 79 -1.807 -12.240 0.388 1.00 0.00 C ATOM 1174 OE1 GLU A 79 -2.131 -13.342 0.877 1.00 0.00 O ATOM 1175 OE2 GLU A 79 -0.997 -12.120 -0.556 1.00 0.00 O ATOM 0 H GLU A 79 -3.435 -9.999 -2.288 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.689 -11.902 -1.171 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.287 -9.928 1.042 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -4.427 -11.650 1.331 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -1.945 -10.109 0.530 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -2.241 -10.950 2.039 1.00 0.00 H new ATOM 1182 N GLY A 80 -6.440 -11.159 -1.917 1.00 0.00 N ATOM 1183 CA GLY A 80 -7.833 -11.521 -2.103 1.00 0.00 C ATOM 1184 C GLY A 80 -8.778 -10.585 -1.375 1.00 0.00 C ATOM 1185 O GLY A 80 -9.995 -10.764 -1.419 1.00 0.00 O ATOM 0 H GLY A 80 -6.041 -10.592 -2.665 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -8.068 -11.514 -3.167 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -7.991 -12.540 -1.749 1.00 0.00 H new ATOM 1189 N ARG A 81 -8.217 -9.586 -0.702 1.00 0.00 N ATOM 1190 CA ARG A 81 -9.018 -8.621 0.041 1.00 0.00 C ATOM 1191 C ARG A 81 -8.679 -7.194 -0.380 1.00 0.00 C ATOM 1192 O ARG A 81 -7.511 -6.850 -0.558 1.00 0.00 O ATOM 1193 CB ARG A 81 -8.790 -8.788 1.544 1.00 0.00 C ATOM 1194 CG ARG A 81 -7.350 -8.557 1.972 1.00 0.00 C ATOM 1195 CD ARG A 81 -7.270 -8.000 3.384 1.00 0.00 C ATOM 1196 NE ARG A 81 -7.169 -9.058 4.386 1.00 0.00 N ATOM 1197 CZ ARG A 81 -7.476 -8.889 5.667 1.00 0.00 C ATOM 1198 NH1 ARG A 81 -7.902 -7.710 6.100 1.00 0.00 N ATOM 1199 NH2 ARG A 81 -7.357 -9.900 6.518 1.00 0.00 N ATOM 0 H ARG A 81 -7.211 -9.424 -0.656 1.00 0.00 H new ATOM 0 HA ARG A 81 -10.068 -8.808 -0.184 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -9.435 -8.092 2.080 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -9.091 -9.793 1.839 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -6.799 -9.496 1.918 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -6.870 -7.865 1.279 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -6.406 -7.341 3.465 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -8.153 -7.394 3.585 1.00 0.00 H new ATOM 0 HE ARG A 81 -6.845 -9.977 4.085 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -7.994 -6.931 5.449 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -8.137 -7.583 7.084 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -7.029 -10.808 6.189 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -7.593 -9.769 7.502 1.00 0.00 H new ATOM 1213 N ALA A 82 -9.709 -6.369 -0.539 1.00 0.00 N ATOM 1214 CA ALA A 82 -9.520 -4.980 -0.938 1.00 0.00 C ATOM 1215 C ALA A 82 -8.982 -4.145 0.219 1.00 0.00 C ATOM 1216 O ALA A 82 -9.364 -4.347 1.372 1.00 0.00 O ATOM 1217 CB ALA A 82 -10.828 -4.396 -1.450 1.00 0.00 C ATOM 0 H ALA A 82 -10.682 -6.639 -0.398 1.00 0.00 H new ATOM 0 HA ALA A 82 -8.784 -4.955 -1.742 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -10.672 -3.358 -1.745 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -11.170 -4.970 -2.311 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -11.580 -4.441 -0.662 1.00 0.00 H new ATOM 1223 N ILE A 83 -8.095 -3.207 -0.097 1.00 0.00 N ATOM 1224 CA ILE A 83 -7.506 -2.342 0.918 1.00 0.00 C ATOM 1225 C ILE A 83 -7.828 -0.876 0.644 1.00 0.00 C ATOM 1226 O ILE A 83 -7.643 -0.387 -0.470 1.00 0.00 O ATOM 1227 CB ILE A 83 -5.977 -2.515 0.987 1.00 0.00 C ATOM 1228 CG1 ILE A 83 -5.323 -1.984 -0.290 1.00 0.00 C ATOM 1229 CG2 ILE A 83 -5.620 -3.978 1.202 1.00 0.00 C ATOM 1230 CD1 ILE A 83 -4.957 -0.518 -0.216 1.00 0.00 C ATOM 0 H ILE A 83 -7.769 -3.027 -1.047 1.00 0.00 H new ATOM 0 HA ILE A 83 -7.940 -2.635 1.874 1.00 0.00 H new ATOM 0 HB ILE A 83 -5.599 -1.940 1.832 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -4.424 -2.565 -0.497 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -6.002 -2.139 -1.128 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -4.536 -4.085 1.249 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -6.060 -4.326 2.137 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -6.008 -4.573 0.375 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -4.498 -0.210 -1.155 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -5.856 0.073 -0.040 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -4.253 -0.360 0.601 1.00 0.00 H new ATOM 1242 N ARG A 84 -8.309 -0.181 1.669 1.00 0.00 N ATOM 1243 CA ARG A 84 -8.656 1.229 1.540 1.00 0.00 C ATOM 1244 C ARG A 84 -7.619 2.110 2.230 1.00 0.00 C ATOM 1245 O ARG A 84 -6.983 1.695 3.200 1.00 0.00 O ATOM 1246 CB ARG A 84 -10.041 1.492 2.135 1.00 0.00 C ATOM 1247 CG ARG A 84 -10.567 2.891 1.859 1.00 0.00 C ATOM 1248 CD ARG A 84 -11.896 3.134 2.556 1.00 0.00 C ATOM 1249 NE ARG A 84 -12.355 4.512 2.396 1.00 0.00 N ATOM 1250 CZ ARG A 84 -13.374 5.030 3.072 1.00 0.00 C ATOM 1251 NH1 ARG A 84 -14.037 4.290 3.949 1.00 0.00 N ATOM 1252 NH2 ARG A 84 -13.731 6.292 2.871 1.00 0.00 N ATOM 0 H ARG A 84 -8.467 -0.571 2.598 1.00 0.00 H new ATOM 0 HA ARG A 84 -8.670 1.478 0.479 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -10.744 0.763 1.733 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -10.000 1.335 3.213 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -9.838 3.628 2.196 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -10.688 3.030 0.785 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -12.646 2.453 2.154 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -11.796 2.906 3.617 1.00 0.00 H new ATOM 0 HE ARG A 84 -11.866 5.109 1.729 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -13.765 3.320 4.106 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -14.819 4.691 4.467 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -13.223 6.865 2.197 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -14.514 6.689 3.390 1.00 0.00 H new ATOM 1266 N LEU A 85 -7.453 3.327 1.723 1.00 0.00 N ATOM 1267 CA LEU A 85 -6.492 4.267 2.289 1.00 0.00 C ATOM 1268 C LEU A 85 -7.178 5.566 2.700 1.00 0.00 C ATOM 1269 O LEU A 85 -8.102 6.028 2.033 1.00 0.00 O ATOM 1270 CB LEU A 85 -5.380 4.561 1.280 1.00 0.00 C ATOM 1271 CG LEU A 85 -4.544 3.361 0.833 1.00 0.00 C ATOM 1272 CD1 LEU A 85 -4.032 3.566 -0.584 1.00 0.00 C ATOM 1273 CD2 LEU A 85 -3.386 3.131 1.793 1.00 0.00 C ATOM 0 H LEU A 85 -7.971 3.686 0.921 1.00 0.00 H new ATOM 0 HA LEU A 85 -6.056 3.811 3.178 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -5.829 5.015 0.397 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -4.710 5.303 1.714 1.00 0.00 H new ATOM 0 HG LEU A 85 -5.179 2.475 0.843 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -3.439 2.702 -0.885 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.877 3.681 -1.263 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.412 4.462 -0.621 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.802 2.273 1.460 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.751 4.016 1.815 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -3.775 2.938 2.793 1.00 0.00 H new ATOM 1285 N GLU A 86 -6.717 6.149 3.803 1.00 0.00 N ATOM 1286 CA GLU A 86 -7.287 7.396 4.301 1.00 0.00 C ATOM 1287 C GLU A 86 -6.216 8.254 4.968 1.00 0.00 C ATOM 1288 O GLU A 86 -5.416 7.762 5.765 1.00 0.00 O ATOM 1289 CB GLU A 86 -8.415 7.106 5.293 1.00 0.00 C ATOM 1290 CG GLU A 86 -9.783 6.988 4.642 1.00 0.00 C ATOM 1291 CD GLU A 86 -10.904 6.875 5.656 1.00 0.00 C ATOM 1292 OE1 GLU A 86 -10.915 5.888 6.422 1.00 0.00 O ATOM 1293 OE2 GLU A 86 -11.771 7.773 5.684 1.00 0.00 O ATOM 0 H GLU A 86 -5.952 5.779 4.367 1.00 0.00 H new ATOM 0 HA GLU A 86 -7.692 7.946 3.452 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -8.193 6.179 5.822 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -8.444 7.900 6.039 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -9.957 7.859 4.010 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -9.797 6.114 3.991 1.00 0.00 H new ATOM 1300 N LEU A 87 -6.207 9.541 4.637 1.00 0.00 N ATOM 1301 CA LEU A 87 -5.234 10.469 5.203 1.00 0.00 C ATOM 1302 C LEU A 87 -5.369 10.541 6.720 1.00 0.00 C ATOM 1303 O LEU A 87 -6.462 10.749 7.246 1.00 0.00 O ATOM 1304 CB LEU A 87 -5.417 11.862 4.597 1.00 0.00 C ATOM 1305 CG LEU A 87 -5.067 12.001 3.115 1.00 0.00 C ATOM 1306 CD1 LEU A 87 -5.408 13.395 2.613 1.00 0.00 C ATOM 1307 CD2 LEU A 87 -3.594 11.695 2.885 1.00 0.00 C ATOM 0 H LEU A 87 -6.862 9.965 3.980 1.00 0.00 H new ATOM 0 HA LEU A 87 -4.236 10.102 4.962 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -6.456 12.162 4.734 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -4.805 12.565 5.162 1.00 0.00 H new ATOM 0 HG LEU A 87 -5.661 11.280 2.552 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -5.152 13.474 1.557 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.475 13.577 2.742 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -4.842 14.134 3.180 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.362 11.799 1.825 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.984 12.392 3.460 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -3.380 10.675 3.205 1.00 0.00 H new ATOM 1319 N GLN A 88 -4.250 10.370 7.417 1.00 0.00 N ATOM 1320 CA GLN A 88 -4.244 10.417 8.875 1.00 0.00 C ATOM 1321 C GLN A 88 -4.415 11.848 9.374 1.00 0.00 C ATOM 1322 O GLN A 88 -3.678 12.748 8.974 1.00 0.00 O ATOM 1323 CB GLN A 88 -2.943 9.826 9.419 1.00 0.00 C ATOM 1324 CG GLN A 88 -3.085 9.212 10.803 1.00 0.00 C ATOM 1325 CD GLN A 88 -1.753 9.039 11.505 1.00 0.00 C ATOM 1326 OE1 GLN A 88 -1.506 9.641 12.550 1.00 0.00 O ATOM 1327 NE2 GLN A 88 -0.884 8.214 10.932 1.00 0.00 N ATOM 0 H GLN A 88 -3.337 10.198 6.996 1.00 0.00 H new ATOM 0 HA GLN A 88 -5.084 9.823 9.237 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -2.583 9.064 8.728 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -2.185 10.608 9.454 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -3.733 9.843 11.411 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -3.575 8.242 10.717 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -1.130 7.735 10.066 1.00 0.00 H new ATOM 0 HE22 GLN A 88 0.030 8.059 11.358 1.00 0.00 H new