USER MOD reduce.3.24.130724 H: found=0, std=0, add=561, rem=0, adj=14 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 156:sc= 0.581 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= -0.718 USER MOD Single : A 22 ASN : amide:sc= -0.357 X(o=-0.36,f=-0.2) USER MOD Single : A 24 SER OG : rot -100:sc= -0.699 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= -0.214 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -3.08 K(o=-3.1,f=-5.6!) 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 K(o=0,f=-1.1) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot -160:sc= -0.804 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 180:sc= -0.33 USER MOD Single : A 62 SER OG : rot 31:sc= 1.26 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -2.64! C(o=-2.6!,f=-2.4!) USER MOD Single : A 72 SER OG : rot -83:sc= 0.505 USER MOD Single : A 73 CYS SG : rot 177:sc= -4.35! USER MOD Single : A 74 ASN : amide:sc= -0.302 X(o=-0.3,f=-0.19) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 162 N SER A 15 -1.799 16.091 4.306 1.00 0.00 N ATOM 163 CA SER A 15 -1.157 14.992 5.017 1.00 0.00 C ATOM 164 C SER A 15 -0.423 14.071 4.046 1.00 0.00 C ATOM 165 O SER A 15 -0.985 13.633 3.042 1.00 0.00 O ATOM 166 CB SER A 15 -2.196 14.193 5.808 1.00 0.00 C ATOM 167 OG SER A 15 -1.574 13.218 6.626 1.00 0.00 O ATOM 0 HA SER A 15 -0.429 15.416 5.709 1.00 0.00 H new ATOM 0 HB2 SER A 15 -2.785 14.869 6.427 1.00 0.00 H new ATOM 0 HB3 SER A 15 -2.887 13.707 5.119 1.00 0.00 H new ATOM 0 HG SER A 15 -2.162 12.999 7.379 1.00 0.00 H new ATOM 173 N LYS A 16 0.837 13.783 4.353 1.00 0.00 N ATOM 174 CA LYS A 16 1.650 12.914 3.511 1.00 0.00 C ATOM 175 C LYS A 16 1.550 11.463 3.969 1.00 0.00 C ATOM 176 O LYS A 16 1.875 10.540 3.221 1.00 0.00 O ATOM 177 CB LYS A 16 3.111 13.368 3.535 1.00 0.00 C ATOM 178 CG LYS A 16 3.906 12.800 4.699 1.00 0.00 C ATOM 179 CD LYS A 16 5.307 13.384 4.755 1.00 0.00 C ATOM 180 CE LYS A 16 5.288 14.833 5.220 1.00 0.00 C ATOM 181 NZ LYS A 16 6.550 15.208 5.917 1.00 0.00 N ATOM 0 H LYS A 16 1.318 14.139 5.179 1.00 0.00 H new ATOM 0 HA LYS A 16 1.272 12.981 2.491 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.590 13.073 2.601 1.00 0.00 H new ATOM 0 HB3 LYS A 16 3.144 14.457 3.580 1.00 0.00 H new ATOM 0 HG2 LYS A 16 3.386 13.010 5.633 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.966 11.716 4.605 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.923 12.791 5.432 1.00 0.00 H new ATOM 0 HD3 LYS A 16 5.768 13.323 3.769 1.00 0.00 H new ATOM 0 HE2 LYS A 16 5.139 15.488 4.362 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.443 14.988 5.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 6.498 16.202 6.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 6.680 14.600 6.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 7.354 15.084 5.269 1.00 0.00 H new ATOM 195 N THR A 17 1.097 11.266 5.203 1.00 0.00 N ATOM 196 CA THR A 17 0.953 9.927 5.760 1.00 0.00 C ATOM 197 C THR A 17 -0.430 9.356 5.470 1.00 0.00 C ATOM 198 O THR A 17 -1.447 9.957 5.816 1.00 0.00 O ATOM 199 CB THR A 17 1.188 9.925 7.283 1.00 0.00 C ATOM 200 OG1 THR A 17 2.519 10.364 7.574 1.00 0.00 O ATOM 201 CG2 THR A 17 0.969 8.535 7.862 1.00 0.00 C ATOM 0 H THR A 17 0.823 12.018 5.836 1.00 0.00 H new ATOM 0 HA THR A 17 1.708 9.303 5.282 1.00 0.00 H new ATOM 0 HB THR A 17 0.473 10.609 7.740 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.660 10.361 8.544 1.00 0.00 H new ATOM 0 HG21 THR A 17 1.140 8.558 8.938 1.00 0.00 H new ATOM 0 HG22 THR A 17 -0.054 8.216 7.664 1.00 0.00 H new ATOM 0 HG23 THR A 17 1.664 7.834 7.399 1.00 0.00 H new ATOM 209 N LEU A 18 -0.461 8.191 4.832 1.00 0.00 N ATOM 210 CA LEU A 18 -1.721 7.537 4.495 1.00 0.00 C ATOM 211 C LEU A 18 -2.015 6.392 5.459 1.00 0.00 C ATOM 212 O LEU A 18 -1.104 5.702 5.916 1.00 0.00 O ATOM 213 CB LEU A 18 -1.677 7.011 3.059 1.00 0.00 C ATOM 214 CG LEU A 18 -1.008 7.923 2.030 1.00 0.00 C ATOM 215 CD1 LEU A 18 -0.853 7.204 0.700 1.00 0.00 C ATOM 216 CD2 LEU A 18 -1.808 9.206 1.855 1.00 0.00 C ATOM 0 H LEU A 18 0.371 7.680 4.538 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.519 8.274 4.581 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.156 6.054 3.060 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.699 6.817 2.733 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.015 8.184 2.396 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.375 7.869 -0.019 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.238 6.315 0.837 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.835 6.912 0.328 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.317 9.843 1.119 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.814 8.964 1.512 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.866 9.731 2.808 1.00 0.00 H new ATOM 228 N VAL A 19 -3.294 6.194 5.762 1.00 0.00 N ATOM 229 CA VAL A 19 -3.709 5.131 6.669 1.00 0.00 C ATOM 230 C VAL A 19 -4.395 3.999 5.912 1.00 0.00 C ATOM 231 O VAL A 19 -5.427 4.203 5.270 1.00 0.00 O ATOM 232 CB VAL A 19 -4.664 5.660 7.755 1.00 0.00 C ATOM 233 CG1 VAL A 19 -4.895 4.604 8.825 1.00 0.00 C ATOM 234 CG2 VAL A 19 -4.116 6.940 8.368 1.00 0.00 C ATOM 0 H VAL A 19 -4.061 6.756 5.392 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.805 4.751 7.145 1.00 0.00 H new ATOM 0 HB VAL A 19 -5.623 5.887 7.290 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -5.572 4.997 9.583 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -5.334 3.716 8.371 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -3.944 4.342 9.289 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -4.803 7.300 9.133 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -3.144 6.741 8.818 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -4.008 7.698 7.592 1.00 0.00 H new ATOM 244 N LEU A 20 -3.817 2.806 5.991 1.00 0.00 N ATOM 245 CA LEU A 20 -4.374 1.640 5.313 1.00 0.00 C ATOM 246 C LEU A 20 -5.328 0.882 6.230 1.00 0.00 C ATOM 247 O LEU A 20 -5.048 0.691 7.413 1.00 0.00 O ATOM 248 CB LEU A 20 -3.250 0.712 4.848 1.00 0.00 C ATOM 249 CG LEU A 20 -3.620 -0.296 3.759 1.00 0.00 C ATOM 250 CD1 LEU A 20 -2.373 -0.792 3.044 1.00 0.00 C ATOM 251 CD2 LEU A 20 -4.395 -1.463 4.354 1.00 0.00 C ATOM 0 H LEU A 20 -2.963 2.620 6.517 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.933 1.987 4.444 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.427 1.326 4.483 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.878 0.162 5.713 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.257 0.204 3.030 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.656 -1.508 2.273 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.858 0.051 2.584 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.710 -1.275 3.762 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.650 -2.170 3.565 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.782 -1.962 5.105 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.309 -1.093 4.819 1.00 0.00 H new ATOM 263 N SER A 21 -6.456 0.450 5.674 1.00 0.00 N ATOM 264 CA SER A 21 -7.453 -0.287 6.442 1.00 0.00 C ATOM 265 C SER A 21 -7.833 -1.585 5.735 1.00 0.00 C ATOM 266 O SER A 21 -7.889 -1.642 4.507 1.00 0.00 O ATOM 267 CB SER A 21 -8.700 0.573 6.657 1.00 0.00 C ATOM 268 OG SER A 21 -9.355 0.837 5.429 1.00 0.00 O ATOM 0 H SER A 21 -6.702 0.598 4.695 1.00 0.00 H new ATOM 0 HA SER A 21 -7.019 -0.534 7.411 1.00 0.00 H new ATOM 0 HB2 SER A 21 -9.384 0.064 7.336 1.00 0.00 H new ATOM 0 HB3 SER A 21 -8.420 1.513 7.133 1.00 0.00 H new ATOM 0 HG SER A 21 -10.149 1.387 5.594 1.00 0.00 H new ATOM 274 N ASN A 22 -8.093 -2.625 6.521 1.00 0.00 N ATOM 275 CA ASN A 22 -8.467 -3.923 5.971 1.00 0.00 C ATOM 276 C ASN A 22 -7.261 -4.616 5.343 1.00 0.00 C ATOM 277 O ASN A 22 -7.368 -5.231 4.282 1.00 0.00 O ATOM 278 CB ASN A 22 -9.575 -3.759 4.929 1.00 0.00 C ATOM 279 CG ASN A 22 -10.335 -5.049 4.686 1.00 0.00 C ATOM 280 OD1 ASN A 22 -11.290 -5.363 5.397 1.00 0.00 O ATOM 281 ND2 ASN A 22 -9.913 -5.802 3.677 1.00 0.00 N ATOM 0 H ASN A 22 -8.052 -2.594 7.540 1.00 0.00 H new ATOM 0 HA ASN A 22 -8.835 -4.543 6.788 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -10.270 -2.988 5.260 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -9.140 -3.414 3.991 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -10.385 -6.681 3.464 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -9.117 -5.501 3.115 1.00 0.00 H new ATOM 288 N LEU A 23 -6.115 -4.511 6.006 1.00 0.00 N ATOM 289 CA LEU A 23 -4.888 -5.128 5.513 1.00 0.00 C ATOM 290 C LEU A 23 -4.860 -6.619 5.836 1.00 0.00 C ATOM 291 O LEU A 23 -5.246 -7.035 6.928 1.00 0.00 O ATOM 292 CB LEU A 23 -3.666 -4.440 6.125 1.00 0.00 C ATOM 293 CG LEU A 23 -2.371 -4.527 5.316 1.00 0.00 C ATOM 294 CD1 LEU A 23 -1.248 -3.786 6.025 1.00 0.00 C ATOM 295 CD2 LEU A 23 -1.987 -5.981 5.081 1.00 0.00 C ATOM 0 H LEU A 23 -6.009 -4.005 6.885 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.861 -5.009 4.430 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.905 -3.388 6.278 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.486 -4.872 7.109 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.537 -4.054 4.348 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.335 -3.859 5.435 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.521 -2.737 6.143 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.082 -4.230 7.007 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.063 -6.025 4.504 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.840 -6.478 6.040 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.783 -6.483 4.531 1.00 0.00 H new ATOM 307 N SER A 24 -4.399 -7.418 4.879 1.00 0.00 N ATOM 308 CA SER A 24 -4.322 -8.863 5.060 1.00 0.00 C ATOM 309 C SER A 24 -3.068 -9.246 5.839 1.00 0.00 C ATOM 310 O SER A 24 -1.979 -8.737 5.573 1.00 0.00 O ATOM 311 CB SER A 24 -4.331 -9.569 3.703 1.00 0.00 C ATOM 312 OG SER A 24 -3.325 -9.049 2.851 1.00 0.00 O ATOM 0 H SER A 24 -4.073 -7.089 3.970 1.00 0.00 H new ATOM 0 HA SER A 24 -5.194 -9.181 5.632 1.00 0.00 H new ATOM 0 HB2 SER A 24 -4.175 -10.638 3.845 1.00 0.00 H new ATOM 0 HB3 SER A 24 -5.307 -9.449 3.234 1.00 0.00 H new ATOM 0 HG SER A 24 -3.726 -8.415 2.221 1.00 0.00 H new ATOM 318 N TYR A 25 -3.229 -10.148 6.801 1.00 0.00 N ATOM 319 CA TYR A 25 -2.111 -10.599 7.621 1.00 0.00 C ATOM 320 C TYR A 25 -0.978 -11.132 6.750 1.00 0.00 C ATOM 321 O TYR A 25 0.199 -10.971 7.076 1.00 0.00 O ATOM 322 CB TYR A 25 -2.572 -11.682 8.598 1.00 0.00 C ATOM 323 CG TYR A 25 -3.994 -11.499 9.078 1.00 0.00 C ATOM 324 CD1 TYR A 25 -4.306 -10.545 10.038 1.00 0.00 C ATOM 325 CD2 TYR A 25 -5.025 -12.281 8.572 1.00 0.00 C ATOM 326 CE1 TYR A 25 -5.604 -10.374 10.481 1.00 0.00 C ATOM 327 CE2 TYR A 25 -6.326 -12.116 9.007 1.00 0.00 C ATOM 328 CZ TYR A 25 -6.610 -11.162 9.962 1.00 0.00 C ATOM 329 OH TYR A 25 -7.904 -10.996 10.399 1.00 0.00 O ATOM 0 H TYR A 25 -4.123 -10.581 7.032 1.00 0.00 H new ATOM 0 HA TYR A 25 -1.739 -9.744 8.186 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -2.482 -12.656 8.117 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -1.905 -11.690 9.460 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -3.520 -9.926 10.446 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -4.806 -13.031 7.826 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -5.829 -9.628 11.229 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -7.116 -12.731 8.602 1.00 0.00 H new ATOM 0 HH TYR A 25 -8.490 -11.628 9.933 1.00 0.00 H new ATOM 339 N SER A 26 -1.341 -11.768 5.641 1.00 0.00 N ATOM 340 CA SER A 26 -0.356 -12.329 4.724 1.00 0.00 C ATOM 341 C SER A 26 0.432 -11.222 4.030 1.00 0.00 C ATOM 342 O SER A 26 1.500 -11.464 3.468 1.00 0.00 O ATOM 343 CB SER A 26 -1.044 -13.211 3.680 1.00 0.00 C ATOM 344 OG SER A 26 -0.191 -14.261 3.257 1.00 0.00 O ATOM 0 H SER A 26 -2.310 -11.908 5.356 1.00 0.00 H new ATOM 0 HA SER A 26 0.338 -12.938 5.303 1.00 0.00 H new ATOM 0 HB2 SER A 26 -1.960 -13.629 4.099 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.333 -12.605 2.821 1.00 0.00 H new ATOM 0 HG SER A 26 -0.654 -14.811 2.591 1.00 0.00 H new ATOM 350 N ALA A 27 -0.103 -10.006 4.075 1.00 0.00 N ATOM 351 CA ALA A 27 0.551 -8.861 3.453 1.00 0.00 C ATOM 352 C ALA A 27 1.569 -8.231 4.397 1.00 0.00 C ATOM 353 O ALA A 27 1.314 -8.078 5.592 1.00 0.00 O ATOM 354 CB ALA A 27 -0.484 -7.830 3.027 1.00 0.00 C ATOM 0 H ALA A 27 -0.987 -9.789 4.535 1.00 0.00 H new ATOM 0 HA ALA A 27 1.083 -9.213 2.569 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.018 -6.980 2.564 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.172 -8.279 2.311 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -1.041 -7.491 3.901 1.00 0.00 H new ATOM 360 N THR A 28 2.727 -7.868 3.853 1.00 0.00 N ATOM 361 CA THR A 28 3.785 -7.256 4.647 1.00 0.00 C ATOM 362 C THR A 28 4.416 -6.080 3.910 1.00 0.00 C ATOM 363 O THR A 28 4.247 -5.932 2.700 1.00 0.00 O ATOM 364 CB THR A 28 4.885 -8.276 4.998 1.00 0.00 C ATOM 365 OG1 THR A 28 5.584 -8.670 3.812 1.00 0.00 O ATOM 366 CG2 THR A 28 4.290 -9.503 5.673 1.00 0.00 C ATOM 0 H THR A 28 2.955 -7.987 2.866 1.00 0.00 H new ATOM 0 HA THR A 28 3.323 -6.899 5.567 1.00 0.00 H new ATOM 0 HB THR A 28 5.582 -7.802 5.690 1.00 0.00 H new ATOM 0 HG1 THR A 28 6.283 -9.317 4.044 1.00 0.00 H new ATOM 0 HG21 THR A 28 5.086 -10.209 5.911 1.00 0.00 H new ATOM 0 HG22 THR A 28 3.783 -9.204 6.591 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.574 -9.977 5.001 1.00 0.00 H new ATOM 374 N GLU A 29 5.142 -5.246 4.648 1.00 0.00 N ATOM 375 CA GLU A 29 5.797 -4.082 4.062 1.00 0.00 C ATOM 376 C GLU A 29 6.355 -4.410 2.680 1.00 0.00 C ATOM 377 O GLU A 29 6.414 -3.548 1.804 1.00 0.00 O ATOM 378 CB GLU A 29 6.922 -3.590 4.975 1.00 0.00 C ATOM 379 CG GLU A 29 6.429 -2.985 6.278 1.00 0.00 C ATOM 380 CD GLU A 29 6.347 -4.003 7.399 1.00 0.00 C ATOM 381 OE1 GLU A 29 6.213 -5.207 7.100 1.00 0.00 O ATOM 382 OE2 GLU A 29 6.416 -3.593 8.577 1.00 0.00 O ATOM 0 H GLU A 29 5.291 -5.354 5.651 1.00 0.00 H new ATOM 0 HA GLU A 29 5.053 -3.293 3.956 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.586 -4.424 5.200 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.513 -2.847 4.440 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.097 -2.176 6.575 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.445 -2.544 6.120 1.00 0.00 H new ATOM 389 N GLU A 30 6.763 -5.662 2.494 1.00 0.00 N ATOM 390 CA GLU A 30 7.317 -6.102 1.220 1.00 0.00 C ATOM 391 C GLU A 30 6.306 -5.914 0.092 1.00 0.00 C ATOM 392 O GLU A 30 6.607 -5.302 -0.933 1.00 0.00 O ATOM 393 CB GLU A 30 7.738 -7.571 1.302 1.00 0.00 C ATOM 394 CG GLU A 30 9.190 -7.766 1.706 1.00 0.00 C ATOM 395 CD GLU A 30 10.154 -7.478 0.572 1.00 0.00 C ATOM 396 OE1 GLU A 30 9.758 -7.639 -0.601 1.00 0.00 O ATOM 397 OE2 GLU A 30 11.306 -7.090 0.858 1.00 0.00 O ATOM 0 H GLU A 30 6.720 -6.388 3.209 1.00 0.00 H new ATOM 0 HA GLU A 30 8.194 -5.491 1.004 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.098 -8.084 2.020 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.573 -8.042 0.333 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.420 -7.113 2.548 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.334 -8.791 2.049 1.00 0.00 H new ATOM 404 N THR A 31 5.103 -6.446 0.289 1.00 0.00 N ATOM 405 CA THR A 31 4.047 -6.340 -0.710 1.00 0.00 C ATOM 406 C THR A 31 3.597 -4.893 -0.882 1.00 0.00 C ATOM 407 O THR A 31 3.304 -4.451 -1.993 1.00 0.00 O ATOM 408 CB THR A 31 2.829 -7.203 -0.334 1.00 0.00 C ATOM 409 OG1 THR A 31 3.245 -8.546 -0.063 1.00 0.00 O ATOM 410 CG2 THR A 31 1.798 -7.202 -1.453 1.00 0.00 C ATOM 0 H THR A 31 4.836 -6.955 1.132 1.00 0.00 H new ATOM 0 HA THR A 31 4.463 -6.703 -1.650 1.00 0.00 H new ATOM 0 HB THR A 31 2.372 -6.777 0.559 1.00 0.00 H new ATOM 0 HG1 THR A 31 2.465 -9.088 0.177 1.00 0.00 H new ATOM 0 HG21 THR A 31 0.947 -7.818 -1.164 1.00 0.00 H new ATOM 0 HG22 THR A 31 1.461 -6.182 -1.637 1.00 0.00 H new ATOM 0 HG23 THR A 31 2.246 -7.605 -2.361 1.00 0.00 H new ATOM 418 N LEU A 32 3.545 -4.159 0.224 1.00 0.00 N ATOM 419 CA LEU A 32 3.132 -2.761 0.196 1.00 0.00 C ATOM 420 C LEU A 32 4.100 -1.923 -0.633 1.00 0.00 C ATOM 421 O LEU A 32 3.683 -1.119 -1.466 1.00 0.00 O ATOM 422 CB LEU A 32 3.047 -2.204 1.618 1.00 0.00 C ATOM 423 CG LEU A 32 2.170 -2.989 2.595 1.00 0.00 C ATOM 424 CD1 LEU A 32 2.163 -2.320 3.961 1.00 0.00 C ATOM 425 CD2 LEU A 32 0.753 -3.117 2.054 1.00 0.00 C ATOM 0 H LEU A 32 3.784 -4.509 1.152 1.00 0.00 H new ATOM 0 HA LEU A 32 2.147 -2.709 -0.267 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.056 -2.152 2.027 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.672 -1.182 1.565 1.00 0.00 H new ATOM 0 HG LEU A 32 2.587 -3.990 2.706 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.534 -2.892 4.643 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.180 -2.280 4.352 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.770 -1.307 3.868 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.143 -3.678 2.762 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.326 -2.124 1.914 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.774 -3.641 1.098 1.00 0.00 H new ATOM 437 N GLN A 33 5.393 -2.120 -0.401 1.00 0.00 N ATOM 438 CA GLN A 33 6.421 -1.384 -1.128 1.00 0.00 C ATOM 439 C GLN A 33 6.216 -1.508 -2.634 1.00 0.00 C ATOM 440 O GLN A 33 6.624 -0.634 -3.399 1.00 0.00 O ATOM 441 CB GLN A 33 7.811 -1.895 -0.746 1.00 0.00 C ATOM 442 CG GLN A 33 8.288 -1.404 0.611 1.00 0.00 C ATOM 443 CD GLN A 33 8.377 0.107 0.687 1.00 0.00 C ATOM 444 OE1 GLN A 33 7.987 0.714 1.685 1.00 0.00 O ATOM 445 NE2 GLN A 33 8.892 0.724 -0.370 1.00 0.00 N ATOM 0 H GLN A 33 5.754 -2.783 0.285 1.00 0.00 H new ATOM 0 HA GLN A 33 6.341 -0.332 -0.854 1.00 0.00 H new ATOM 0 HB2 GLN A 33 7.801 -2.985 -0.746 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.526 -1.583 -1.508 1.00 0.00 H new ATOM 0 HG2 GLN A 33 7.607 -1.763 1.383 1.00 0.00 H new ATOM 0 HG3 GLN A 33 9.267 -1.833 0.825 1.00 0.00 H new ATOM 0 HE21 GLN A 33 9.203 0.182 -1.176 1.00 0.00 H new ATOM 0 HE22 GLN A 33 8.977 1.740 -0.376 1.00 0.00 H new ATOM 454 N GLU A 34 5.582 -2.599 -3.053 1.00 0.00 N ATOM 455 CA GLU A 34 5.325 -2.836 -4.468 1.00 0.00 C ATOM 456 C GLU A 34 4.196 -1.943 -4.974 1.00 0.00 C ATOM 457 O GLU A 34 4.276 -1.381 -6.066 1.00 0.00 O ATOM 458 CB GLU A 34 4.973 -4.306 -4.706 1.00 0.00 C ATOM 459 CG GLU A 34 6.075 -5.270 -4.299 1.00 0.00 C ATOM 460 CD GLU A 34 5.902 -6.646 -4.912 1.00 0.00 C ATOM 461 OE1 GLU A 34 5.474 -6.726 -6.082 1.00 0.00 O ATOM 462 OE2 GLU A 34 6.195 -7.644 -4.219 1.00 0.00 O ATOM 0 H GLU A 34 5.237 -3.332 -2.433 1.00 0.00 H new ATOM 0 HA GLU A 34 6.232 -2.593 -5.021 1.00 0.00 H new ATOM 0 HB2 GLU A 34 4.067 -4.548 -4.151 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.748 -4.450 -5.763 1.00 0.00 H new ATOM 0 HG2 GLU A 34 7.040 -4.861 -4.600 1.00 0.00 H new ATOM 0 HG3 GLU A 34 6.091 -5.360 -3.213 1.00 0.00 H new ATOM 469 N VAL A 35 3.144 -1.818 -4.171 1.00 0.00 N ATOM 470 CA VAL A 35 1.998 -0.993 -4.535 1.00 0.00 C ATOM 471 C VAL A 35 2.336 0.490 -4.439 1.00 0.00 C ATOM 472 O VAL A 35 1.916 1.289 -5.276 1.00 0.00 O ATOM 473 CB VAL A 35 0.784 -1.291 -3.636 1.00 0.00 C ATOM 474 CG1 VAL A 35 -0.430 -0.499 -4.098 1.00 0.00 C ATOM 475 CG2 VAL A 35 0.484 -2.783 -3.623 1.00 0.00 C ATOM 0 H VAL A 35 3.062 -2.278 -3.264 1.00 0.00 H new ATOM 0 HA VAL A 35 1.746 -1.239 -5.566 1.00 0.00 H new ATOM 0 HB VAL A 35 1.023 -0.983 -2.618 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.278 -0.723 -3.451 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.208 0.567 -4.051 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.674 -0.773 -5.124 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.377 -2.975 -2.983 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.265 -3.119 -4.637 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.349 -3.325 -3.240 1.00 0.00 H new ATOM 485 N PHE A 36 3.098 0.852 -3.413 1.00 0.00 N ATOM 486 CA PHE A 36 3.493 2.241 -3.206 1.00 0.00 C ATOM 487 C PHE A 36 4.981 2.430 -3.484 1.00 0.00 C ATOM 488 O PHE A 36 5.828 1.998 -2.703 1.00 0.00 O ATOM 489 CB PHE A 36 3.170 2.678 -1.776 1.00 0.00 C ATOM 490 CG PHE A 36 1.737 2.447 -1.388 1.00 0.00 C ATOM 491 CD1 PHE A 36 0.769 3.398 -1.666 1.00 0.00 C ATOM 492 CD2 PHE A 36 1.359 1.279 -0.745 1.00 0.00 C ATOM 493 CE1 PHE A 36 -0.550 3.188 -1.309 1.00 0.00 C ATOM 494 CE2 PHE A 36 0.042 1.064 -0.386 1.00 0.00 C ATOM 495 CZ PHE A 36 -0.914 2.019 -0.670 1.00 0.00 C ATOM 0 H PHE A 36 3.455 0.203 -2.711 1.00 0.00 H new ATOM 0 HA PHE A 36 2.929 2.861 -3.903 1.00 0.00 H new ATOM 0 HB2 PHE A 36 3.817 2.138 -1.085 1.00 0.00 H new ATOM 0 HB3 PHE A 36 3.401 3.738 -1.667 1.00 0.00 H new ATOM 0 HD1 PHE A 36 1.048 4.313 -2.167 1.00 0.00 H new ATOM 0 HD2 PHE A 36 2.102 0.528 -0.522 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -1.295 3.938 -1.530 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.239 0.150 0.116 1.00 0.00 H new ATOM 0 HZ PHE A 36 -1.944 1.852 -0.393 1.00 0.00 H new ATOM 505 N GLU A 37 5.291 3.080 -4.602 1.00 0.00 N ATOM 506 CA GLU A 37 6.677 3.325 -4.983 1.00 0.00 C ATOM 507 C GLU A 37 7.168 4.656 -4.421 1.00 0.00 C ATOM 508 O GLU A 37 8.368 4.856 -4.225 1.00 0.00 O ATOM 509 CB GLU A 37 6.819 3.319 -6.506 1.00 0.00 C ATOM 510 CG GLU A 37 6.543 1.964 -7.138 1.00 0.00 C ATOM 511 CD GLU A 37 7.785 1.100 -7.232 1.00 0.00 C ATOM 512 OE1 GLU A 37 8.656 1.401 -8.074 1.00 0.00 O ATOM 513 OE2 GLU A 37 7.886 0.122 -6.462 1.00 0.00 O ATOM 0 H GLU A 37 4.602 3.446 -5.259 1.00 0.00 H new ATOM 0 HA GLU A 37 7.289 2.526 -4.565 1.00 0.00 H new ATOM 0 HB2 GLU A 37 6.134 4.054 -6.929 1.00 0.00 H new ATOM 0 HB3 GLU A 37 7.828 3.635 -6.770 1.00 0.00 H new ATOM 0 HG2 GLU A 37 5.785 1.442 -6.553 1.00 0.00 H new ATOM 0 HG3 GLU A 37 6.130 2.110 -8.136 1.00 0.00 H new ATOM 520 N LYS A 38 6.233 5.564 -4.163 1.00 0.00 N ATOM 521 CA LYS A 38 6.569 6.876 -3.623 1.00 0.00 C ATOM 522 C LYS A 38 6.653 6.833 -2.101 1.00 0.00 C ATOM 523 O LYS A 38 7.248 7.711 -1.478 1.00 0.00 O ATOM 524 CB LYS A 38 5.528 7.910 -4.058 1.00 0.00 C ATOM 525 CG LYS A 38 5.157 7.819 -5.528 1.00 0.00 C ATOM 526 CD LYS A 38 6.176 8.528 -6.405 1.00 0.00 C ATOM 527 CE LYS A 38 5.797 8.447 -7.876 1.00 0.00 C ATOM 528 NZ LYS A 38 4.935 9.588 -8.290 1.00 0.00 N ATOM 0 H LYS A 38 5.236 5.415 -4.319 1.00 0.00 H new ATOM 0 HA LYS A 38 7.545 7.164 -4.015 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.628 7.782 -3.456 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.912 8.909 -3.850 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.088 6.772 -5.823 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.172 8.260 -5.684 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.252 9.573 -6.105 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.159 8.081 -6.256 1.00 0.00 H new ATOM 0 HE2 LYS A 38 6.702 8.436 -8.484 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.274 7.509 -8.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 4.699 9.496 -9.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.060 9.584 -7.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.443 10.482 -8.133 1.00 0.00 H new ATOM 542 N ALA A 39 6.054 5.804 -1.509 1.00 0.00 N ATOM 543 CA ALA A 39 6.064 5.645 -0.060 1.00 0.00 C ATOM 544 C ALA A 39 7.490 5.635 0.481 1.00 0.00 C ATOM 545 O ALA A 39 8.242 4.684 0.262 1.00 0.00 O ATOM 546 CB ALA A 39 5.338 4.368 0.336 1.00 0.00 C ATOM 0 H ALA A 39 5.556 5.069 -2.011 1.00 0.00 H new ATOM 0 HA ALA A 39 5.543 6.496 0.378 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.353 4.262 1.421 1.00 0.00 H new ATOM 0 HB2 ALA A 39 4.305 4.415 -0.010 1.00 0.00 H new ATOM 0 HB3 ALA A 39 5.835 3.511 -0.119 1.00 0.00 H new ATOM 552 N THR A 40 7.858 6.699 1.188 1.00 0.00 N ATOM 553 CA THR A 40 9.194 6.813 1.758 1.00 0.00 C ATOM 554 C THR A 40 9.391 5.823 2.901 1.00 0.00 C ATOM 555 O THR A 40 10.520 5.519 3.284 1.00 0.00 O ATOM 556 CB THR A 40 9.464 8.238 2.277 1.00 0.00 C ATOM 557 OG1 THR A 40 8.624 8.516 3.403 1.00 0.00 O ATOM 558 CG2 THR A 40 9.214 9.267 1.185 1.00 0.00 C ATOM 0 H THR A 40 7.249 7.494 1.379 1.00 0.00 H new ATOM 0 HA THR A 40 9.899 6.586 0.958 1.00 0.00 H new ATOM 0 HB THR A 40 10.509 8.299 2.580 1.00 0.00 H new ATOM 0 HG1 THR A 40 8.803 9.423 3.728 1.00 0.00 H new ATOM 0 HG21 THR A 40 9.411 10.266 1.574 1.00 0.00 H new ATOM 0 HG22 THR A 40 9.875 9.070 0.341 1.00 0.00 H new ATOM 0 HG23 THR A 40 8.177 9.204 0.856 1.00 0.00 H new ATOM 566 N PHE A 41 8.284 5.322 3.440 1.00 0.00 N ATOM 567 CA PHE A 41 8.336 4.366 4.540 1.00 0.00 C ATOM 568 C PHE A 41 6.984 3.685 4.732 1.00 0.00 C ATOM 569 O PHE A 41 5.936 4.326 4.648 1.00 0.00 O ATOM 570 CB PHE A 41 8.754 5.067 5.834 1.00 0.00 C ATOM 571 CG PHE A 41 9.337 4.136 6.859 1.00 0.00 C ATOM 572 CD1 PHE A 41 10.673 3.772 6.803 1.00 0.00 C ATOM 573 CD2 PHE A 41 8.549 3.624 7.877 1.00 0.00 C ATOM 574 CE1 PHE A 41 11.211 2.915 7.744 1.00 0.00 C ATOM 575 CE2 PHE A 41 9.082 2.767 8.822 1.00 0.00 C ATOM 576 CZ PHE A 41 10.415 2.413 8.755 1.00 0.00 C ATOM 0 H PHE A 41 7.341 5.562 3.133 1.00 0.00 H new ATOM 0 HA PHE A 41 9.076 3.605 4.292 1.00 0.00 H new ATOM 0 HB2 PHE A 41 9.486 5.840 5.599 1.00 0.00 H new ATOM 0 HB3 PHE A 41 7.886 5.569 6.262 1.00 0.00 H new ATOM 0 HD1 PHE A 41 11.300 4.162 6.015 1.00 0.00 H new ATOM 0 HD2 PHE A 41 7.506 3.898 7.933 1.00 0.00 H new ATOM 0 HE1 PHE A 41 12.253 2.638 7.689 1.00 0.00 H new ATOM 0 HE2 PHE A 41 8.457 2.375 9.611 1.00 0.00 H new ATOM 0 HZ PHE A 41 10.835 1.744 9.492 1.00 0.00 H new ATOM 586 N ILE A 42 7.016 2.381 4.988 1.00 0.00 N ATOM 587 CA ILE A 42 5.794 1.613 5.192 1.00 0.00 C ATOM 588 C ILE A 42 5.839 0.848 6.511 1.00 0.00 C ATOM 589 O ILE A 42 6.832 0.192 6.828 1.00 0.00 O ATOM 590 CB ILE A 42 5.558 0.616 4.042 1.00 0.00 C ATOM 591 CG1 ILE A 42 5.319 1.366 2.730 1.00 0.00 C ATOM 592 CG2 ILE A 42 4.379 -0.291 4.361 1.00 0.00 C ATOM 593 CD1 ILE A 42 5.108 0.453 1.542 1.00 0.00 C ATOM 0 H ILE A 42 7.875 1.835 5.059 1.00 0.00 H new ATOM 0 HA ILE A 42 4.972 2.328 5.217 1.00 0.00 H new ATOM 0 HB ILE A 42 6.448 -0.003 3.929 1.00 0.00 H new ATOM 0 HG12 ILE A 42 4.447 2.010 2.843 1.00 0.00 H new ATOM 0 HG13 ILE A 42 6.171 2.016 2.532 1.00 0.00 H new ATOM 0 HG21 ILE A 42 4.225 -0.990 3.539 1.00 0.00 H new ATOM 0 HG22 ILE A 42 4.585 -0.847 5.276 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.482 0.313 4.497 1.00 0.00 H new ATOM 0 HD11 ILE A 42 4.945 1.053 0.647 1.00 0.00 H new ATOM 0 HD12 ILE A 42 5.989 -0.173 1.403 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.238 -0.179 1.719 1.00 0.00 H new ATOM 605 N LYS A 43 4.757 0.936 7.276 1.00 0.00 N ATOM 606 CA LYS A 43 4.669 0.251 8.560 1.00 0.00 C ATOM 607 C LYS A 43 3.381 -0.560 8.658 1.00 0.00 C ATOM 608 O LYS A 43 2.299 -0.066 8.338 1.00 0.00 O ATOM 609 CB LYS A 43 4.737 1.262 9.707 1.00 0.00 C ATOM 610 CG LYS A 43 5.157 0.651 11.033 1.00 0.00 C ATOM 611 CD LYS A 43 6.660 0.441 11.099 1.00 0.00 C ATOM 612 CE LYS A 43 7.067 -0.282 12.373 1.00 0.00 C ATOM 613 NZ LYS A 43 7.351 0.668 13.484 1.00 0.00 N ATOM 0 H LYS A 43 3.928 1.476 7.029 1.00 0.00 H new ATOM 0 HA LYS A 43 5.514 -0.433 8.637 1.00 0.00 H new ATOM 0 HB2 LYS A 43 5.439 2.052 9.442 1.00 0.00 H new ATOM 0 HB3 LYS A 43 3.760 1.730 9.826 1.00 0.00 H new ATOM 0 HG2 LYS A 43 4.843 1.301 11.850 1.00 0.00 H new ATOM 0 HG3 LYS A 43 4.649 -0.303 11.172 1.00 0.00 H new ATOM 0 HD2 LYS A 43 6.986 -0.135 10.233 1.00 0.00 H new ATOM 0 HD3 LYS A 43 7.166 1.405 11.050 1.00 0.00 H new ATOM 0 HE2 LYS A 43 6.272 -0.964 12.673 1.00 0.00 H new ATOM 0 HE3 LYS A 43 7.951 -0.889 12.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 7.625 0.136 14.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 8.127 1.303 13.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 6.500 1.230 13.687 1.00 0.00 H new ATOM 627 N VAL A 44 3.503 -1.806 9.103 1.00 0.00 N ATOM 628 CA VAL A 44 2.348 -2.684 9.246 1.00 0.00 C ATOM 629 C VAL A 44 2.365 -3.401 10.591 1.00 0.00 C ATOM 630 O VAL A 44 3.067 -4.394 10.784 1.00 0.00 O ATOM 631 CB VAL A 44 2.297 -3.732 8.118 1.00 0.00 C ATOM 632 CG1 VAL A 44 3.611 -4.492 8.036 1.00 0.00 C ATOM 633 CG2 VAL A 44 1.132 -4.687 8.331 1.00 0.00 C ATOM 0 H VAL A 44 4.391 -2.231 9.371 1.00 0.00 H new ATOM 0 HA VAL A 44 1.461 -2.053 9.186 1.00 0.00 H new ATOM 0 HB VAL A 44 2.145 -3.214 7.171 1.00 0.00 H new ATOM 0 HG11 VAL A 44 3.556 -5.228 7.234 1.00 0.00 H new ATOM 0 HG12 VAL A 44 4.423 -3.794 7.833 1.00 0.00 H new ATOM 0 HG13 VAL A 44 3.797 -5.000 8.982 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.111 -5.421 7.525 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.252 -5.200 9.285 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.198 -4.126 8.335 1.00 0.00 H new ATOM 643 N PRO A 45 1.573 -2.889 11.545 1.00 0.00 N ATOM 644 CA PRO A 45 1.479 -3.465 12.889 1.00 0.00 C ATOM 645 C PRO A 45 0.772 -4.816 12.892 1.00 0.00 C ATOM 646 O PRO A 45 -0.345 -4.943 12.392 1.00 0.00 O ATOM 647 CB PRO A 45 0.657 -2.431 13.662 1.00 0.00 C ATOM 648 CG PRO A 45 -0.146 -1.730 12.621 1.00 0.00 C ATOM 649 CD PRO A 45 0.709 -1.707 11.384 1.00 0.00 C ATOM 0 HA PRO A 45 2.462 -3.657 13.319 1.00 0.00 H new ATOM 0 HB2 PRO A 45 0.015 -2.909 14.402 1.00 0.00 H new ATOM 0 HB3 PRO A 45 1.301 -1.735 14.200 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -1.085 -2.251 12.436 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -0.399 -0.719 12.939 1.00 0.00 H new ATOM 0 HD2 PRO A 45 0.107 -1.770 10.478 1.00 0.00 H new ATOM 0 HD3 PRO A 45 1.293 -0.789 11.316 1.00 0.00 H new ATOM 657 N GLN A 46 1.431 -5.822 13.459 1.00 0.00 N ATOM 658 CA GLN A 46 0.864 -7.164 13.526 1.00 0.00 C ATOM 659 C GLN A 46 0.692 -7.610 14.974 1.00 0.00 C ATOM 660 O GLN A 46 0.966 -6.853 15.904 1.00 0.00 O ATOM 661 CB GLN A 46 1.757 -8.155 12.778 1.00 0.00 C ATOM 662 CG GLN A 46 1.766 -7.949 11.271 1.00 0.00 C ATOM 663 CD GLN A 46 2.863 -8.735 10.581 1.00 0.00 C ATOM 664 OE1 GLN A 46 3.616 -9.468 11.223 1.00 0.00 O ATOM 665 NE2 GLN A 46 2.959 -8.587 9.265 1.00 0.00 N ATOM 0 H GLN A 46 2.357 -5.733 13.878 1.00 0.00 H new ATOM 0 HA GLN A 46 -0.118 -7.141 13.053 1.00 0.00 H new ATOM 0 HB2 GLN A 46 2.776 -8.068 13.154 1.00 0.00 H new ATOM 0 HB3 GLN A 46 1.422 -9.169 12.996 1.00 0.00 H new ATOM 0 HG2 GLN A 46 0.800 -8.245 10.862 1.00 0.00 H new ATOM 0 HG3 GLN A 46 1.893 -6.888 11.054 1.00 0.00 H new ATOM 0 HE21 GLN A 46 2.314 -7.969 8.773 1.00 0.00 H new ATOM 0 HE22 GLN A 46 3.678 -9.091 8.746 1.00 0.00 H new ATOM 726 N LYS A 51 0.185 -11.312 12.893 1.00 0.00 N ATOM 727 CA LYS A 51 -0.992 -11.010 12.087 1.00 0.00 C ATOM 728 C LYS A 51 -1.273 -9.511 12.074 1.00 0.00 C ATOM 729 O LYS A 51 -1.432 -8.890 13.125 1.00 0.00 O ATOM 730 CB LYS A 51 -2.211 -11.763 12.626 1.00 0.00 C ATOM 731 CG LYS A 51 -2.222 -13.239 12.264 1.00 0.00 C ATOM 732 CD LYS A 51 -3.468 -13.931 12.789 1.00 0.00 C ATOM 733 CE LYS A 51 -3.266 -15.435 12.898 1.00 0.00 C ATOM 734 NZ LYS A 51 -3.649 -16.138 11.642 1.00 0.00 N ATOM 0 HA LYS A 51 -0.794 -11.334 11.065 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -2.239 -11.663 13.711 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -3.117 -11.296 12.239 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -2.172 -13.350 11.181 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -1.336 -13.722 12.675 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -3.726 -13.526 13.767 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -4.308 -13.723 12.126 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -2.222 -15.646 13.128 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -3.859 -15.822 13.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -3.497 -17.160 11.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -4.652 -15.958 11.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -3.065 -15.787 10.856 1.00 0.00 H new ATOM 748 N SER A 52 -1.334 -8.935 10.878 1.00 0.00 N ATOM 749 CA SER A 52 -1.594 -7.508 10.728 1.00 0.00 C ATOM 750 C SER A 52 -2.880 -7.112 11.448 1.00 0.00 C ATOM 751 O SER A 52 -3.967 -7.574 11.102 1.00 0.00 O ATOM 752 CB SER A 52 -1.691 -7.138 9.247 1.00 0.00 C ATOM 753 OG SER A 52 -0.669 -7.771 8.496 1.00 0.00 O ATOM 0 H SER A 52 -1.207 -9.435 9.998 1.00 0.00 H new ATOM 0 HA SER A 52 -0.763 -6.963 11.177 1.00 0.00 H new ATOM 0 HB2 SER A 52 -2.667 -7.431 8.859 1.00 0.00 H new ATOM 0 HB3 SER A 52 -1.614 -6.057 9.133 1.00 0.00 H new ATOM 0 HG SER A 52 -0.544 -7.296 7.648 1.00 0.00 H new ATOM 759 N LYS A 53 -2.747 -6.252 12.453 1.00 0.00 N ATOM 760 CA LYS A 53 -3.896 -5.791 13.222 1.00 0.00 C ATOM 761 C LYS A 53 -5.082 -5.499 12.308 1.00 0.00 C ATOM 762 O LYS A 53 -6.235 -5.552 12.735 1.00 0.00 O ATOM 763 CB LYS A 53 -3.532 -4.536 14.018 1.00 0.00 C ATOM 764 CG LYS A 53 -2.330 -4.720 14.928 1.00 0.00 C ATOM 765 CD LYS A 53 -2.420 -3.833 16.159 1.00 0.00 C ATOM 766 CE LYS A 53 -1.677 -4.440 17.339 1.00 0.00 C ATOM 767 NZ LYS A 53 -2.244 -3.991 18.641 1.00 0.00 N ATOM 0 H LYS A 53 -1.854 -5.861 12.753 1.00 0.00 H new ATOM 0 HA LYS A 53 -4.180 -6.584 13.914 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -3.329 -3.721 13.323 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -4.390 -4.236 14.620 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -2.262 -5.764 15.235 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -1.418 -4.489 14.378 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -2.005 -2.851 15.932 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -3.466 -3.683 16.425 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -1.724 -5.527 17.278 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -0.624 -4.163 17.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -1.711 -4.426 19.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -2.176 -2.956 18.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -3.242 -4.277 18.702 1.00 0.00 H new ATOM 781 N GLY A 54 -4.790 -5.193 11.047 1.00 0.00 N ATOM 782 CA GLY A 54 -5.843 -4.900 10.093 1.00 0.00 C ATOM 783 C GLY A 54 -5.674 -3.541 9.443 1.00 0.00 C ATOM 784 O GLY A 54 -6.524 -3.107 8.665 1.00 0.00 O ATOM 0 H GLY A 54 -3.844 -5.143 10.670 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -5.854 -5.670 9.321 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -6.808 -4.940 10.598 1.00 0.00 H new ATOM 788 N TYR A 55 -4.576 -2.866 9.763 1.00 0.00 N ATOM 789 CA TYR A 55 -4.300 -1.546 9.209 1.00 0.00 C ATOM 790 C TYR A 55 -2.800 -1.331 9.033 1.00 0.00 C ATOM 791 O TYR A 55 -1.989 -2.131 9.498 1.00 0.00 O ATOM 792 CB TYR A 55 -4.880 -0.458 10.114 1.00 0.00 C ATOM 793 CG TYR A 55 -4.654 -0.712 11.587 1.00 0.00 C ATOM 794 CD1 TYR A 55 -5.432 -1.631 12.281 1.00 0.00 C ATOM 795 CD2 TYR A 55 -3.664 -0.032 12.285 1.00 0.00 C ATOM 796 CE1 TYR A 55 -5.230 -1.866 13.627 1.00 0.00 C ATOM 797 CE2 TYR A 55 -3.454 -0.262 13.631 1.00 0.00 C ATOM 798 CZ TYR A 55 -4.239 -1.179 14.298 1.00 0.00 C ATOM 799 OH TYR A 55 -4.034 -1.410 15.639 1.00 0.00 O ATOM 0 H TYR A 55 -3.862 -3.212 10.404 1.00 0.00 H new ATOM 0 HA TYR A 55 -4.774 -1.485 8.230 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -4.435 0.501 9.847 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -5.951 -0.375 9.928 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -6.208 -2.171 11.759 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -3.048 0.688 11.767 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -5.844 -2.583 14.151 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -2.679 0.274 14.158 1.00 0.00 H new ATOM 0 HH TYR A 55 -3.299 -0.847 15.959 1.00 0.00 H new ATOM 809 N ALA A 56 -2.440 -0.244 8.359 1.00 0.00 N ATOM 810 CA ALA A 56 -1.038 0.079 8.124 1.00 0.00 C ATOM 811 C ALA A 56 -0.826 1.588 8.062 1.00 0.00 C ATOM 812 O ALA A 56 -1.784 2.358 7.986 1.00 0.00 O ATOM 813 CB ALA A 56 -0.553 -0.577 6.840 1.00 0.00 C ATOM 0 H ALA A 56 -3.099 0.428 7.966 1.00 0.00 H new ATOM 0 HA ALA A 56 -0.456 -0.310 8.960 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.495 -0.327 6.677 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.660 -1.659 6.921 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.147 -0.216 6.000 1.00 0.00 H new ATOM 819 N PHE A 57 0.436 2.005 8.094 1.00 0.00 N ATOM 820 CA PHE A 57 0.774 3.423 8.043 1.00 0.00 C ATOM 821 C PHE A 57 1.796 3.699 6.944 1.00 0.00 C ATOM 822 O PHE A 57 2.970 3.350 7.072 1.00 0.00 O ATOM 823 CB PHE A 57 1.323 3.887 9.394 1.00 0.00 C ATOM 824 CG PHE A 57 0.276 3.979 10.467 1.00 0.00 C ATOM 825 CD1 PHE A 57 -0.626 5.031 10.485 1.00 0.00 C ATOM 826 CD2 PHE A 57 0.194 3.015 11.458 1.00 0.00 C ATOM 827 CE1 PHE A 57 -1.591 5.119 11.470 1.00 0.00 C ATOM 828 CE2 PHE A 57 -0.769 3.097 12.446 1.00 0.00 C ATOM 829 CZ PHE A 57 -1.662 4.151 12.453 1.00 0.00 C ATOM 0 H PHE A 57 1.241 1.381 8.155 1.00 0.00 H new ATOM 0 HA PHE A 57 -0.135 3.980 7.818 1.00 0.00 H new ATOM 0 HB2 PHE A 57 2.103 3.197 9.717 1.00 0.00 H new ATOM 0 HB3 PHE A 57 1.792 4.863 9.271 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -0.574 5.791 9.720 1.00 0.00 H new ATOM 0 HD2 PHE A 57 0.891 2.190 11.459 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -2.289 5.943 11.471 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -0.823 2.338 13.212 1.00 0.00 H new ATOM 0 HZ PHE A 57 -2.414 4.218 13.225 1.00 0.00 H new ATOM 839 N ILE A 58 1.340 4.327 5.865 1.00 0.00 N ATOM 840 CA ILE A 58 2.214 4.650 4.744 1.00 0.00 C ATOM 841 C ILE A 58 2.764 6.067 4.867 1.00 0.00 C ATOM 842 O ILE A 58 2.041 6.995 5.229 1.00 0.00 O ATOM 843 CB ILE A 58 1.477 4.513 3.399 1.00 0.00 C ATOM 844 CG1 ILE A 58 0.602 3.258 3.398 1.00 0.00 C ATOM 845 CG2 ILE A 58 2.475 4.470 2.251 1.00 0.00 C ATOM 846 CD1 ILE A 58 1.364 1.988 3.706 1.00 0.00 C ATOM 0 H ILE A 58 0.371 4.622 5.744 1.00 0.00 H new ATOM 0 HA ILE A 58 3.039 3.938 4.771 1.00 0.00 H new ATOM 0 HB ILE A 58 0.833 5.382 3.263 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.195 3.380 4.131 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.125 3.158 2.423 1.00 0.00 H new ATOM 0 HG21 ILE A 58 1.939 4.373 1.307 1.00 0.00 H new ATOM 0 HG22 ILE A 58 3.061 5.389 2.243 1.00 0.00 H new ATOM 0 HG23 ILE A 58 3.141 3.617 2.380 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.680 1.140 3.688 1.00 0.00 H new ATOM 0 HD12 ILE A 58 2.144 1.841 2.959 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.818 2.067 4.694 1.00 0.00 H new ATOM 858 N GLU A 59 4.048 6.226 4.561 1.00 0.00 N ATOM 859 CA GLU A 59 4.694 7.531 4.637 1.00 0.00 C ATOM 860 C GLU A 59 5.238 7.949 3.274 1.00 0.00 C ATOM 861 O GLU A 59 5.801 7.135 2.541 1.00 0.00 O ATOM 862 CB GLU A 59 5.829 7.504 5.664 1.00 0.00 C ATOM 863 CG GLU A 59 6.101 8.854 6.305 1.00 0.00 C ATOM 864 CD GLU A 59 7.437 8.901 7.021 1.00 0.00 C ATOM 865 OE1 GLU A 59 8.351 8.151 6.619 1.00 0.00 O ATOM 866 OE2 GLU A 59 7.569 9.688 7.982 1.00 0.00 O ATOM 0 H GLU A 59 4.660 5.468 4.259 1.00 0.00 H new ATOM 0 HA GLU A 59 3.947 8.260 4.950 1.00 0.00 H new ATOM 0 HB2 GLU A 59 5.585 6.783 6.444 1.00 0.00 H new ATOM 0 HB3 GLU A 59 6.739 7.152 5.178 1.00 0.00 H new ATOM 0 HG2 GLU A 59 6.077 9.628 5.538 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.305 9.083 7.014 1.00 0.00 H new ATOM 873 N PHE A 60 5.064 9.223 2.939 1.00 0.00 N ATOM 874 CA PHE A 60 5.535 9.750 1.664 1.00 0.00 C ATOM 875 C PHE A 60 6.365 11.013 1.870 1.00 0.00 C ATOM 876 O PHE A 60 6.627 11.419 3.002 1.00 0.00 O ATOM 877 CB PHE A 60 4.351 10.049 0.743 1.00 0.00 C ATOM 878 CG PHE A 60 3.527 8.837 0.413 1.00 0.00 C ATOM 879 CD1 PHE A 60 2.719 8.250 1.374 1.00 0.00 C ATOM 880 CD2 PHE A 60 3.561 8.284 -0.857 1.00 0.00 C ATOM 881 CE1 PHE A 60 1.959 7.135 1.073 1.00 0.00 C ATOM 882 CE2 PHE A 60 2.803 7.170 -1.163 1.00 0.00 C ATOM 883 CZ PHE A 60 2.002 6.594 -0.196 1.00 0.00 C ATOM 0 H PHE A 60 4.600 9.910 3.533 1.00 0.00 H new ATOM 0 HA PHE A 60 6.167 8.994 1.198 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.712 10.795 1.216 1.00 0.00 H new ATOM 0 HB3 PHE A 60 4.723 10.489 -0.182 1.00 0.00 H new ATOM 0 HD1 PHE A 60 2.683 8.668 2.369 1.00 0.00 H new ATOM 0 HD2 PHE A 60 4.187 8.729 -1.616 1.00 0.00 H new ATOM 0 HE1 PHE A 60 1.332 6.688 1.830 1.00 0.00 H new ATOM 0 HE2 PHE A 60 2.837 6.750 -2.157 1.00 0.00 H new ATOM 0 HZ PHE A 60 1.410 5.722 -0.433 1.00 0.00 H new ATOM 893 N ALA A 61 6.777 11.631 0.767 1.00 0.00 N ATOM 894 CA ALA A 61 7.576 12.848 0.826 1.00 0.00 C ATOM 895 C ALA A 61 6.731 14.038 1.271 1.00 0.00 C ATOM 896 O ALA A 61 7.232 14.960 1.915 1.00 0.00 O ATOM 897 CB ALA A 61 8.212 13.128 -0.527 1.00 0.00 C ATOM 0 H ALA A 61 6.570 11.308 -0.178 1.00 0.00 H new ATOM 0 HA ALA A 61 8.365 12.699 1.563 1.00 0.00 H new ATOM 0 HB1 ALA A 61 8.806 14.040 -0.468 1.00 0.00 H new ATOM 0 HB2 ALA A 61 8.855 12.294 -0.806 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.431 13.251 -1.278 1.00 0.00 H new ATOM 903 N SER A 62 5.449 14.010 0.924 1.00 0.00 N ATOM 904 CA SER A 62 4.536 15.088 1.284 1.00 0.00 C ATOM 905 C SER A 62 3.105 14.747 0.879 1.00 0.00 C ATOM 906 O SER A 62 2.855 13.724 0.241 1.00 0.00 O ATOM 907 CB SER A 62 4.969 16.396 0.617 1.00 0.00 C ATOM 908 OG SER A 62 5.877 17.110 1.437 1.00 0.00 O ATOM 0 H SER A 62 5.019 13.252 0.394 1.00 0.00 H new ATOM 0 HA SER A 62 4.569 15.212 2.366 1.00 0.00 H new ATOM 0 HB2 SER A 62 5.435 16.181 -0.345 1.00 0.00 H new ATOM 0 HB3 SER A 62 4.093 17.013 0.416 1.00 0.00 H new ATOM 0 HG SER A 62 6.402 16.478 1.971 1.00 0.00 H new ATOM 914 N PHE A 63 2.168 15.612 1.255 1.00 0.00 N ATOM 915 CA PHE A 63 0.761 15.403 0.933 1.00 0.00 C ATOM 916 C PHE A 63 0.574 15.179 -0.565 1.00 0.00 C ATOM 917 O PHE A 63 -0.471 14.701 -1.005 1.00 0.00 O ATOM 918 CB PHE A 63 -0.072 16.602 1.389 1.00 0.00 C ATOM 919 CG PHE A 63 -1.358 16.762 0.630 1.00 0.00 C ATOM 920 CD1 PHE A 63 -2.443 15.943 0.897 1.00 0.00 C ATOM 921 CD2 PHE A 63 -1.482 17.732 -0.352 1.00 0.00 C ATOM 922 CE1 PHE A 63 -3.627 16.088 0.199 1.00 0.00 C ATOM 923 CE2 PHE A 63 -2.664 17.882 -1.053 1.00 0.00 C ATOM 924 CZ PHE A 63 -3.738 17.059 -0.776 1.00 0.00 C ATOM 0 H PHE A 63 2.358 16.464 1.783 1.00 0.00 H new ATOM 0 HA PHE A 63 0.421 14.512 1.461 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -0.297 16.496 2.450 1.00 0.00 H new ATOM 0 HB3 PHE A 63 0.521 17.510 1.278 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -2.363 15.182 1.659 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -0.645 18.378 -0.572 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -4.465 15.442 0.416 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -2.747 18.642 -1.816 1.00 0.00 H new ATOM 0 HZ PHE A 63 -4.663 17.175 -1.321 1.00 0.00 H new ATOM 934 N GLU A 64 1.595 15.529 -1.342 1.00 0.00 N ATOM 935 CA GLU A 64 1.542 15.368 -2.790 1.00 0.00 C ATOM 936 C GLU A 64 1.610 13.893 -3.176 1.00 0.00 C ATOM 937 O GLU A 64 0.624 13.313 -3.632 1.00 0.00 O ATOM 938 CB GLU A 64 2.689 16.134 -3.453 1.00 0.00 C ATOM 939 CG GLU A 64 2.336 17.567 -3.811 1.00 0.00 C ATOM 940 CD GLU A 64 2.450 18.510 -2.629 1.00 0.00 C ATOM 941 OE1 GLU A 64 3.278 18.239 -1.734 1.00 0.00 O ATOM 942 OE2 GLU A 64 1.712 19.516 -2.598 1.00 0.00 O ATOM 0 H GLU A 64 2.468 15.925 -0.993 1.00 0.00 H new ATOM 0 HA GLU A 64 0.593 15.774 -3.141 1.00 0.00 H new ATOM 0 HB2 GLU A 64 3.548 16.137 -2.782 1.00 0.00 H new ATOM 0 HB3 GLU A 64 2.992 15.606 -4.357 1.00 0.00 H new ATOM 0 HG2 GLU A 64 2.994 17.910 -4.609 1.00 0.00 H new ATOM 0 HG3 GLU A 64 1.318 17.600 -4.200 1.00 0.00 H new ATOM 949 N ASP A 65 2.781 13.293 -2.992 1.00 0.00 N ATOM 950 CA ASP A 65 2.979 11.886 -3.320 1.00 0.00 C ATOM 951 C ASP A 65 1.944 11.013 -2.618 1.00 0.00 C ATOM 952 O ASP A 65 1.387 10.092 -3.214 1.00 0.00 O ATOM 953 CB ASP A 65 4.389 11.443 -2.928 1.00 0.00 C ATOM 954 CG ASP A 65 5.450 11.991 -3.862 1.00 0.00 C ATOM 955 OD1 ASP A 65 5.283 13.131 -4.344 1.00 0.00 O ATOM 956 OD2 ASP A 65 6.446 11.280 -4.112 1.00 0.00 O ATOM 0 H ASP A 65 3.607 13.759 -2.617 1.00 0.00 H new ATOM 0 HA ASP A 65 2.856 11.769 -4.397 1.00 0.00 H new ATOM 0 HB2 ASP A 65 4.600 11.772 -1.911 1.00 0.00 H new ATOM 0 HB3 ASP A 65 4.437 10.354 -2.927 1.00 0.00 H new ATOM 961 N ALA A 66 1.692 11.309 -1.347 1.00 0.00 N ATOM 962 CA ALA A 66 0.723 10.552 -0.564 1.00 0.00 C ATOM 963 C ALA A 66 -0.638 10.527 -1.250 1.00 0.00 C ATOM 964 O ALA A 66 -1.304 9.493 -1.293 1.00 0.00 O ATOM 965 CB ALA A 66 0.601 11.140 0.835 1.00 0.00 C ATOM 0 H ALA A 66 2.145 12.068 -0.838 1.00 0.00 H new ATOM 0 HA ALA A 66 1.079 9.525 -0.485 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -0.126 10.565 1.409 1.00 0.00 H new ATOM 0 HB2 ALA A 66 1.570 11.100 1.332 1.00 0.00 H new ATOM 0 HB3 ALA A 66 0.271 12.177 0.766 1.00 0.00 H new ATOM 971 N LYS A 67 -1.047 11.673 -1.785 1.00 0.00 N ATOM 972 CA LYS A 67 -2.329 11.783 -2.470 1.00 0.00 C ATOM 973 C LYS A 67 -2.298 11.046 -3.805 1.00 0.00 C ATOM 974 O LYS A 67 -3.304 10.483 -4.236 1.00 0.00 O ATOM 975 CB LYS A 67 -2.685 13.254 -2.696 1.00 0.00 C ATOM 976 CG LYS A 67 -3.991 13.456 -3.446 1.00 0.00 C ATOM 977 CD LYS A 67 -5.191 13.141 -2.569 1.00 0.00 C ATOM 978 CE LYS A 67 -5.650 14.364 -1.791 1.00 0.00 C ATOM 979 NZ LYS A 67 -6.573 15.216 -2.590 1.00 0.00 N ATOM 0 H LYS A 67 -0.508 12.539 -1.757 1.00 0.00 H new ATOM 0 HA LYS A 67 -3.090 11.324 -1.839 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -2.749 13.756 -1.731 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -1.879 13.733 -3.252 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -4.055 14.486 -3.796 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -4.007 12.818 -4.329 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -6.009 12.775 -3.189 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -4.935 12.341 -1.874 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -6.150 14.046 -0.876 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -4.782 14.951 -1.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -6.863 16.039 -2.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -6.088 15.541 -3.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -7.414 14.664 -2.854 1.00 0.00 H new ATOM 993 N GLU A 68 -1.137 11.052 -4.453 1.00 0.00 N ATOM 994 CA GLU A 68 -0.977 10.383 -5.738 1.00 0.00 C ATOM 995 C GLU A 68 -1.265 8.889 -5.613 1.00 0.00 C ATOM 996 O GLU A 68 -1.969 8.311 -6.441 1.00 0.00 O ATOM 997 CB GLU A 68 0.439 10.597 -6.276 1.00 0.00 C ATOM 998 CG GLU A 68 0.777 9.717 -7.468 1.00 0.00 C ATOM 999 CD GLU A 68 0.189 10.240 -8.765 1.00 0.00 C ATOM 1000 OE1 GLU A 68 0.318 11.453 -9.028 1.00 0.00 O ATOM 1001 OE2 GLU A 68 -0.400 9.434 -9.516 1.00 0.00 O ATOM 0 H GLU A 68 -0.294 11.513 -4.109 1.00 0.00 H new ATOM 0 HA GLU A 68 -1.693 10.816 -6.436 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.556 11.642 -6.562 1.00 0.00 H new ATOM 0 HB3 GLU A 68 1.155 10.403 -5.477 1.00 0.00 H new ATOM 0 HG2 GLU A 68 1.860 9.646 -7.567 1.00 0.00 H new ATOM 0 HG3 GLU A 68 0.407 8.708 -7.286 1.00 0.00 H new ATOM 1008 N ALA A 69 -0.715 8.271 -4.573 1.00 0.00 N ATOM 1009 CA ALA A 69 -0.914 6.847 -4.339 1.00 0.00 C ATOM 1010 C ALA A 69 -2.240 6.586 -3.632 1.00 0.00 C ATOM 1011 O ALA A 69 -2.850 5.530 -3.805 1.00 0.00 O ATOM 1012 CB ALA A 69 0.240 6.280 -3.525 1.00 0.00 C ATOM 0 H ALA A 69 -0.128 8.735 -3.879 1.00 0.00 H new ATOM 0 HA ALA A 69 -0.943 6.346 -5.307 1.00 0.00 H new ATOM 0 HB1 ALA A 69 0.078 5.215 -3.357 1.00 0.00 H new ATOM 0 HB2 ALA A 69 1.174 6.424 -4.068 1.00 0.00 H new ATOM 0 HB3 ALA A 69 0.295 6.794 -2.565 1.00 0.00 H new ATOM 1018 N LEU A 70 -2.681 7.554 -2.836 1.00 0.00 N ATOM 1019 CA LEU A 70 -3.935 7.428 -2.102 1.00 0.00 C ATOM 1020 C LEU A 70 -5.127 7.453 -3.054 1.00 0.00 C ATOM 1021 O LEU A 70 -6.166 6.853 -2.779 1.00 0.00 O ATOM 1022 CB LEU A 70 -4.064 8.556 -1.077 1.00 0.00 C ATOM 1023 CG LEU A 70 -5.489 8.966 -0.705 1.00 0.00 C ATOM 1024 CD1 LEU A 70 -6.211 7.821 -0.011 1.00 0.00 C ATOM 1025 CD2 LEU A 70 -5.475 10.204 0.180 1.00 0.00 C ATOM 0 H LEU A 70 -2.189 8.434 -2.683 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.928 6.471 -1.581 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -3.545 8.254 -0.167 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -3.545 9.433 -1.464 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.028 9.205 -1.622 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.224 8.132 0.246 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -6.254 6.960 -0.678 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -5.673 7.549 0.897 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -6.498 10.481 0.435 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.919 9.992 1.093 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -4.998 11.027 -0.353 1.00 0.00 H new ATOM 1037 N ASN A 71 -4.969 8.148 -4.175 1.00 0.00 N ATOM 1038 CA ASN A 71 -6.032 8.249 -5.169 1.00 0.00 C ATOM 1039 C ASN A 71 -6.044 7.024 -6.078 1.00 0.00 C ATOM 1040 O ASN A 71 -7.090 6.634 -6.597 1.00 0.00 O ATOM 1041 CB ASN A 71 -5.857 9.517 -6.006 1.00 0.00 C ATOM 1042 CG ASN A 71 -6.294 10.765 -5.264 1.00 0.00 C ATOM 1043 OD1 ASN A 71 -7.201 10.721 -4.433 1.00 0.00 O ATOM 1044 ND2 ASN A 71 -5.648 11.887 -5.561 1.00 0.00 N ATOM 0 H ASN A 71 -4.115 8.650 -4.418 1.00 0.00 H new ATOM 0 HA ASN A 71 -6.985 8.298 -4.642 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -4.811 9.617 -6.295 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -6.434 9.424 -6.926 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -5.898 12.758 -5.093 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -4.902 11.877 -6.257 1.00 0.00 H new ATOM 1051 N SER A 72 -4.875 6.420 -6.264 1.00 0.00 N ATOM 1052 CA SER A 72 -4.751 5.241 -7.113 1.00 0.00 C ATOM 1053 C SER A 72 -4.889 3.963 -6.291 1.00 0.00 C ATOM 1054 O SER A 72 -5.857 3.216 -6.442 1.00 0.00 O ATOM 1055 CB SER A 72 -3.405 5.249 -7.840 1.00 0.00 C ATOM 1056 OG SER A 72 -2.352 5.606 -6.961 1.00 0.00 O ATOM 0 H SER A 72 -4.000 6.727 -5.838 1.00 0.00 H new ATOM 0 HA SER A 72 -5.554 5.268 -7.849 1.00 0.00 H new ATOM 0 HB2 SER A 72 -3.211 4.263 -8.263 1.00 0.00 H new ATOM 0 HB3 SER A 72 -3.442 5.952 -8.672 1.00 0.00 H new ATOM 0 HG SER A 72 -2.303 6.582 -6.889 1.00 0.00 H new ATOM 1062 N CYS A 73 -3.916 3.718 -5.421 1.00 0.00 N ATOM 1063 CA CYS A 73 -3.927 2.530 -4.575 1.00 0.00 C ATOM 1064 C CYS A 73 -5.290 2.346 -3.915 1.00 0.00 C ATOM 1065 O CYS A 73 -5.671 1.233 -3.555 1.00 0.00 O ATOM 1066 CB CYS A 73 -2.839 2.630 -3.505 1.00 0.00 C ATOM 1067 SG CYS A 73 -1.159 2.725 -4.167 1.00 0.00 S ATOM 0 H CYS A 73 -3.109 4.326 -5.283 1.00 0.00 H new ATOM 0 HA CYS A 73 -3.728 1.663 -5.205 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -3.027 3.512 -2.892 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -2.910 1.764 -2.847 1.00 0.00 H new ATOM 0 HG CYS A 73 -0.315 2.869 -3.189 1.00 0.00 H new ATOM 1073 N ASN A 74 -6.020 3.446 -3.759 1.00 0.00 N ATOM 1074 CA ASN A 74 -7.340 3.405 -3.141 1.00 0.00 C ATOM 1075 C ASN A 74 -8.064 2.108 -3.488 1.00 0.00 C ATOM 1076 O ASN A 74 -8.219 1.764 -4.660 1.00 0.00 O ATOM 1077 CB ASN A 74 -8.175 4.605 -3.594 1.00 0.00 C ATOM 1078 CG ASN A 74 -9.176 5.043 -2.542 1.00 0.00 C ATOM 1079 OD1 ASN A 74 -10.367 5.180 -2.821 1.00 0.00 O ATOM 1080 ND2 ASN A 74 -8.695 5.264 -1.324 1.00 0.00 N ATOM 0 H ASN A 74 -5.720 4.376 -4.052 1.00 0.00 H new ATOM 0 HA ASN A 74 -7.209 3.448 -2.060 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -7.512 5.437 -3.830 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -8.705 4.350 -4.512 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -9.320 5.560 -0.575 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -7.700 5.138 -1.138 1.00 0.00 H new ATOM 1087 N LYS A 75 -8.508 1.391 -2.461 1.00 0.00 N ATOM 1088 CA LYS A 75 -9.218 0.133 -2.655 1.00 0.00 C ATOM 1089 C LYS A 75 -8.387 -0.838 -3.488 1.00 0.00 C ATOM 1090 O LYS A 75 -8.853 -1.356 -4.503 1.00 0.00 O ATOM 1091 CB LYS A 75 -10.565 0.383 -3.337 1.00 0.00 C ATOM 1092 CG LYS A 75 -11.458 1.352 -2.582 1.00 0.00 C ATOM 1093 CD LYS A 75 -12.573 1.887 -3.465 1.00 0.00 C ATOM 1094 CE LYS A 75 -13.254 3.091 -2.834 1.00 0.00 C ATOM 1095 NZ LYS A 75 -14.070 3.848 -3.823 1.00 0.00 N ATOM 0 H LYS A 75 -8.388 1.661 -1.485 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.391 -0.312 -1.675 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -10.388 0.771 -4.340 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -11.087 -0.567 -3.450 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -11.888 0.851 -1.715 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -10.860 2.182 -2.207 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -12.167 2.166 -4.437 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -13.309 1.102 -3.640 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -13.892 2.759 -2.015 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -12.500 3.751 -2.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -14.518 4.661 -3.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -13.457 4.186 -4.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -14.806 3.226 -4.215 1.00 0.00 H new ATOM 1109 N ARG A 76 -7.155 -1.080 -3.053 1.00 0.00 N ATOM 1110 CA ARG A 76 -6.259 -1.988 -3.759 1.00 0.00 C ATOM 1111 C ARG A 76 -6.464 -3.426 -3.291 1.00 0.00 C ATOM 1112 O ARG A 76 -6.358 -3.722 -2.101 1.00 0.00 O ATOM 1113 CB ARG A 76 -4.803 -1.573 -3.543 1.00 0.00 C ATOM 1114 CG ARG A 76 -3.797 -2.591 -4.056 1.00 0.00 C ATOM 1115 CD ARG A 76 -3.461 -2.353 -5.520 1.00 0.00 C ATOM 1116 NE ARG A 76 -2.259 -3.074 -5.929 1.00 0.00 N ATOM 1117 CZ ARG A 76 -2.240 -4.372 -6.210 1.00 0.00 C ATOM 1118 NH1 ARG A 76 -3.354 -5.088 -6.126 1.00 0.00 N ATOM 1119 NH2 ARG A 76 -1.107 -4.957 -6.576 1.00 0.00 N ATOM 0 H ARG A 76 -6.754 -0.660 -2.214 1.00 0.00 H new ATOM 0 HA ARG A 76 -6.491 -1.933 -4.823 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -4.628 -0.619 -4.041 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -4.634 -1.412 -2.478 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.887 -2.537 -3.459 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -4.200 -3.596 -3.933 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -4.301 -2.666 -6.140 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -3.319 -1.286 -5.691 1.00 0.00 H new ATOM 0 HE ARG A 76 -1.386 -2.552 -6.003 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -4.227 -4.642 -5.845 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -3.337 -6.085 -6.342 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -0.249 -4.410 -6.642 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -1.094 -5.954 -6.791 1.00 0.00 H new ATOM 1133 N GLU A 77 -6.759 -4.314 -4.235 1.00 0.00 N ATOM 1134 CA GLU A 77 -6.979 -5.720 -3.918 1.00 0.00 C ATOM 1135 C GLU A 77 -5.654 -6.441 -3.689 1.00 0.00 C ATOM 1136 O GLU A 77 -4.966 -6.815 -4.640 1.00 0.00 O ATOM 1137 CB GLU A 77 -7.756 -6.404 -5.045 1.00 0.00 C ATOM 1138 CG GLU A 77 -9.264 -6.347 -4.867 1.00 0.00 C ATOM 1139 CD GLU A 77 -10.014 -6.557 -6.168 1.00 0.00 C ATOM 1140 OE1 GLU A 77 -9.877 -7.648 -6.761 1.00 0.00 O ATOM 1141 OE2 GLU A 77 -10.736 -5.631 -6.594 1.00 0.00 O ATOM 0 H GLU A 77 -6.851 -4.085 -5.225 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.564 -5.771 -2.999 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -7.493 -5.935 -5.993 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -7.445 -7.447 -5.108 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -9.570 -7.108 -4.149 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -9.540 -5.381 -4.445 1.00 0.00 H new ATOM 1148 N ILE A 78 -5.302 -6.632 -2.422 1.00 0.00 N ATOM 1149 CA ILE A 78 -4.060 -7.307 -2.068 1.00 0.00 C ATOM 1150 C ILE A 78 -4.336 -8.612 -1.329 1.00 0.00 C ATOM 1151 O ILE A 78 -5.091 -8.638 -0.358 1.00 0.00 O ATOM 1152 CB ILE A 78 -3.162 -6.413 -1.192 1.00 0.00 C ATOM 1153 CG1 ILE A 78 -2.725 -5.172 -1.973 1.00 0.00 C ATOM 1154 CG2 ILE A 78 -1.951 -7.194 -0.706 1.00 0.00 C ATOM 1155 CD1 ILE A 78 -1.771 -4.282 -1.207 1.00 0.00 C ATOM 0 H ILE A 78 -5.860 -6.329 -1.624 1.00 0.00 H new ATOM 0 HA ILE A 78 -3.541 -7.523 -3.002 1.00 0.00 H new ATOM 0 HB ILE A 78 -3.733 -6.089 -0.322 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.250 -5.486 -2.902 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -3.608 -4.595 -2.246 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -1.326 -6.549 -0.088 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -2.282 -8.050 -0.118 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -1.376 -7.544 -1.563 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -1.503 -3.422 -1.821 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -2.251 -3.938 -0.290 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -0.871 -4.844 -0.957 1.00 0.00 H new ATOM 1167 N GLU A 79 -3.716 -9.692 -1.794 1.00 0.00 N ATOM 1168 CA GLU A 79 -3.894 -11.000 -1.175 1.00 0.00 C ATOM 1169 C GLU A 79 -5.369 -11.391 -1.144 1.00 0.00 C ATOM 1170 O GLU A 79 -5.818 -12.089 -0.236 1.00 0.00 O ATOM 1171 CB GLU A 79 -3.325 -10.999 0.245 1.00 0.00 C ATOM 1172 CG GLU A 79 -1.828 -10.745 0.301 1.00 0.00 C ATOM 1173 CD GLU A 79 -1.015 -11.959 -0.106 1.00 0.00 C ATOM 1174 OE1 GLU A 79 -1.385 -12.614 -1.102 1.00 0.00 O ATOM 1175 OE2 GLU A 79 -0.009 -12.253 0.572 1.00 0.00 O ATOM 0 H GLU A 79 -3.087 -9.687 -2.597 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.354 -11.733 -1.774 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -3.837 -10.236 0.832 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -3.540 -11.959 0.714 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -1.580 -9.910 -0.354 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -1.551 -10.449 1.313 1.00 0.00 H new ATOM 1182 N GLY A 80 -6.118 -10.933 -2.142 1.00 0.00 N ATOM 1183 CA GLY A 80 -7.534 -11.244 -2.211 1.00 0.00 C ATOM 1184 C GLY A 80 -8.357 -10.414 -1.245 1.00 0.00 C ATOM 1185 O GLY A 80 -9.495 -10.762 -0.930 1.00 0.00 O ATOM 0 H GLY A 80 -5.769 -10.352 -2.904 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -7.891 -11.074 -3.227 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -7.682 -12.302 -1.994 1.00 0.00 H new ATOM 1189 N ARG A 81 -7.780 -9.314 -0.773 1.00 0.00 N ATOM 1190 CA ARG A 81 -8.466 -8.433 0.165 1.00 0.00 C ATOM 1191 C ARG A 81 -8.307 -6.972 -0.245 1.00 0.00 C ATOM 1192 O ARG A 81 -7.190 -6.478 -0.397 1.00 0.00 O ATOM 1193 CB ARG A 81 -7.925 -8.639 1.580 1.00 0.00 C ATOM 1194 CG ARG A 81 -8.600 -9.775 2.332 1.00 0.00 C ATOM 1195 CD ARG A 81 -8.479 -9.596 3.837 1.00 0.00 C ATOM 1196 NE ARG A 81 -8.539 -10.872 4.546 1.00 0.00 N ATOM 1197 CZ ARG A 81 -9.669 -11.528 4.782 1.00 0.00 C ATOM 1198 NH1 ARG A 81 -10.827 -11.032 4.368 1.00 0.00 N ATOM 1199 NH2 ARG A 81 -9.643 -12.684 5.434 1.00 0.00 N ATOM 0 H ARG A 81 -6.839 -9.011 -1.025 1.00 0.00 H new ATOM 0 HA ARG A 81 -9.527 -8.683 0.149 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -6.854 -8.837 1.525 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -8.050 -7.716 2.145 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -9.653 -9.822 2.054 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -8.150 -10.724 2.040 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -7.538 -9.097 4.068 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -9.280 -8.947 4.191 1.00 0.00 H new ATOM 0 HE ARG A 81 -7.665 -11.281 4.878 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -10.851 -10.144 3.867 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -11.693 -11.538 4.551 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -8.754 -13.069 5.754 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -10.512 -13.187 5.615 1.00 0.00 H new ATOM 1213 N ALA A 82 -9.431 -6.286 -0.422 1.00 0.00 N ATOM 1214 CA ALA A 82 -9.416 -4.882 -0.813 1.00 0.00 C ATOM 1215 C ALA A 82 -8.918 -4.001 0.327 1.00 0.00 C ATOM 1216 O ALA A 82 -9.413 -4.086 1.452 1.00 0.00 O ATOM 1217 CB ALA A 82 -10.804 -4.443 -1.255 1.00 0.00 C ATOM 0 H ALA A 82 -10.364 -6.680 -0.301 1.00 0.00 H new ATOM 0 HA ALA A 82 -8.728 -4.770 -1.651 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -10.778 -3.392 -1.544 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -11.123 -5.046 -2.105 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -11.507 -4.576 -0.432 1.00 0.00 H new ATOM 1223 N ILE A 83 -7.937 -3.156 0.030 1.00 0.00 N ATOM 1224 CA ILE A 83 -7.373 -2.259 1.031 1.00 0.00 C ATOM 1225 C ILE A 83 -7.719 -0.806 0.725 1.00 0.00 C ATOM 1226 O ILE A 83 -7.596 -0.354 -0.414 1.00 0.00 O ATOM 1227 CB ILE A 83 -5.842 -2.403 1.117 1.00 0.00 C ATOM 1228 CG1 ILE A 83 -5.179 -1.785 -0.117 1.00 0.00 C ATOM 1229 CG2 ILE A 83 -5.454 -3.867 1.256 1.00 0.00 C ATOM 1230 CD1 ILE A 83 -4.837 -0.321 0.050 1.00 0.00 C ATOM 0 H ILE A 83 -7.516 -3.074 -0.895 1.00 0.00 H new ATOM 0 HA ILE A 83 -7.811 -2.540 1.989 1.00 0.00 H new ATOM 0 HB ILE A 83 -5.491 -1.869 2.000 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -4.268 -2.339 -0.346 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -5.845 -1.899 -0.973 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -4.369 -3.952 1.316 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -5.900 -4.277 2.162 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -5.814 -4.423 0.390 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -4.371 0.050 -0.863 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -5.747 0.245 0.248 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -4.146 -0.202 0.885 1.00 0.00 H new ATOM 1242 N ARG A 84 -8.151 -0.077 1.749 1.00 0.00 N ATOM 1243 CA ARG A 84 -8.515 1.325 1.589 1.00 0.00 C ATOM 1244 C ARG A 84 -7.474 2.234 2.237 1.00 0.00 C ATOM 1245 O ARG A 84 -6.820 1.852 3.209 1.00 0.00 O ATOM 1246 CB ARG A 84 -9.891 1.590 2.203 1.00 0.00 C ATOM 1247 CG ARG A 84 -10.425 2.985 1.921 1.00 0.00 C ATOM 1248 CD ARG A 84 -11.783 3.204 2.570 1.00 0.00 C ATOM 1249 NE ARG A 84 -11.663 3.737 3.924 1.00 0.00 N ATOM 1250 CZ ARG A 84 -12.684 3.836 4.768 1.00 0.00 C ATOM 1251 NH1 ARG A 84 -13.894 3.438 4.400 1.00 0.00 N ATOM 1252 NH2 ARG A 84 -12.495 4.332 5.984 1.00 0.00 N ATOM 0 H ARG A 84 -8.257 -0.435 2.698 1.00 0.00 H new ATOM 0 HA ARG A 84 -8.552 1.545 0.522 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -10.598 0.855 1.819 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -9.833 1.444 3.282 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -9.719 3.728 2.292 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -10.507 3.134 0.844 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -12.369 3.892 1.960 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -12.327 2.260 2.599 1.00 0.00 H new ATOM 0 HE ARG A 84 -10.745 4.050 4.239 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -14.043 3.055 3.467 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -14.676 3.515 5.050 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -11.565 4.638 6.271 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -13.279 4.408 6.632 1.00 0.00 H new ATOM 1266 N LEU A 85 -7.326 3.436 1.693 1.00 0.00 N ATOM 1267 CA LEU A 85 -6.364 4.400 2.217 1.00 0.00 C ATOM 1268 C LEU A 85 -7.055 5.704 2.603 1.00 0.00 C ATOM 1269 O LEU A 85 -7.941 6.180 1.896 1.00 0.00 O ATOM 1270 CB LEU A 85 -5.272 4.675 1.182 1.00 0.00 C ATOM 1271 CG LEU A 85 -4.445 3.467 0.741 1.00 0.00 C ATOM 1272 CD1 LEU A 85 -3.953 3.649 -0.686 1.00 0.00 C ATOM 1273 CD2 LEU A 85 -3.273 3.249 1.687 1.00 0.00 C ATOM 0 H LEU A 85 -7.860 3.767 0.889 1.00 0.00 H new ATOM 0 HA LEU A 85 -5.909 3.973 3.111 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -5.738 5.113 0.299 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -4.594 5.425 1.589 1.00 0.00 H new ATOM 0 HG LEU A 85 -5.082 2.583 0.774 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -3.366 2.779 -0.982 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.807 3.755 -1.355 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.332 4.543 -0.746 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.695 2.385 1.358 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.636 4.133 1.686 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -3.647 3.072 2.695 1.00 0.00 H new ATOM 1285 N GLU A 86 -6.640 6.276 3.729 1.00 0.00 N ATOM 1286 CA GLU A 86 -7.219 7.526 4.208 1.00 0.00 C ATOM 1287 C GLU A 86 -6.153 8.409 4.850 1.00 0.00 C ATOM 1288 O GLU A 86 -5.348 7.942 5.658 1.00 0.00 O ATOM 1289 CB GLU A 86 -8.337 7.244 5.214 1.00 0.00 C ATOM 1290 CG GLU A 86 -9.709 7.102 4.576 1.00 0.00 C ATOM 1291 CD GLU A 86 -10.800 6.827 5.593 1.00 0.00 C ATOM 1292 OE1 GLU A 86 -10.472 6.359 6.703 1.00 0.00 O ATOM 1293 OE2 GLU A 86 -11.981 7.082 5.278 1.00 0.00 O ATOM 0 H GLU A 86 -5.906 5.894 4.326 1.00 0.00 H new ATOM 0 HA GLU A 86 -7.636 8.055 3.351 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -8.102 6.329 5.758 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -8.368 8.051 5.946 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -9.948 8.015 4.030 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -9.684 6.292 3.847 1.00 0.00 H new ATOM 1300 N LEU A 87 -6.152 9.686 4.485 1.00 0.00 N ATOM 1301 CA LEU A 87 -5.185 10.636 5.024 1.00 0.00 C ATOM 1302 C LEU A 87 -5.316 10.744 6.540 1.00 0.00 C ATOM 1303 O LEU A 87 -6.393 11.035 7.060 1.00 0.00 O ATOM 1304 CB LEU A 87 -5.379 12.011 4.384 1.00 0.00 C ATOM 1305 CG LEU A 87 -4.956 12.136 2.920 1.00 0.00 C ATOM 1306 CD1 LEU A 87 -5.255 13.532 2.395 1.00 0.00 C ATOM 1307 CD2 LEU A 87 -3.478 11.810 2.762 1.00 0.00 C ATOM 0 H LEU A 87 -6.810 10.088 3.818 1.00 0.00 H new ATOM 0 HA LEU A 87 -4.185 10.272 4.789 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -6.432 12.280 4.461 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -4.820 12.743 4.967 1.00 0.00 H new ATOM 0 HG LEU A 87 -5.530 11.419 2.334 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.947 13.602 1.352 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.324 13.728 2.472 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -4.708 14.267 2.985 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.195 11.904 1.714 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.887 12.502 3.361 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -3.293 10.790 3.098 1.00 0.00 H new ATOM 1319 N GLN A 88 -4.212 10.511 7.243 1.00 0.00 N ATOM 1320 CA GLN A 88 -4.203 10.584 8.699 1.00 0.00 C ATOM 1321 C GLN A 88 -4.335 12.029 9.172 1.00 0.00 C ATOM 1322 O GLN A 88 -3.674 12.925 8.650 1.00 0.00 O ATOM 1323 CB GLN A 88 -2.918 9.968 9.254 1.00 0.00 C ATOM 1324 CG GLN A 88 -3.082 9.366 10.641 1.00 0.00 C ATOM 1325 CD GLN A 88 -1.758 9.172 11.353 1.00 0.00 C ATOM 1326 OE1 GLN A 88 -1.495 9.799 12.380 1.00 0.00 O ATOM 1327 NE2 GLN A 88 -0.916 8.300 10.811 1.00 0.00 N ATOM 0 H GLN A 88 -3.312 10.270 6.827 1.00 0.00 H new ATOM 0 HA GLN A 88 -5.058 10.019 9.072 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -2.571 9.194 8.570 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -2.143 10.734 9.289 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -3.721 10.014 11.241 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -3.590 8.405 10.558 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -1.175 7.803 9.959 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -0.010 8.128 11.247 1.00 0.00 H new