USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 521 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 69 TYR OH : rot 174:sc= -0.131 USER MOD Set 1.2: A 73 GLN : amide:sc= -1.08! C(o=-1.2!,f=-6.7!) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.0713 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 19 LYS NZ :NH3+ 139:sc= 1.16 (180deg=0.15) USER MOD Single : A 22 THR OG1 : rot 75:sc= 1.23 USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 28 TYR OH : rot 180:sc= -0.0502 USER MOD Single : A 34 SER OG : rot 71:sc= -0.884! USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 169:sc= -1.69 (180deg=-1.89) USER MOD Single : A 38 ASN : amide:sc= 0.147 X(o=0.15,f=0) USER MOD Single : A 40 ASN : amide:sc= -0.81 X(o=-0.81,f=-0.84) USER MOD Single : A 41 CYS SG : rot 175:sc= -8.81! USER MOD Single : A 43 LYS NZ :NH3+ 163:sc= -0.054 (180deg=-0.416) USER MOD Single : A 44 LYS NZ :NH3+ -157:sc= 1.24 (180deg=0.821) USER MOD Single : A 47 SER OG : rot 166:sc= -0.755 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot -164:sc= 0.418 USER MOD Single : A 51 SER OG : rot -140:sc= -0.0156 USER MOD Single : A 53 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0536) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 149:sc= 0.75 USER MOD Single : A 67 ASN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 219 N ILE A 15 11.373 7.667 -1.540 1.00 35.51 N ATOM 220 CA ILE A 15 10.346 7.026 -2.372 1.00 53.35 C ATOM 221 C ILE A 15 8.938 7.577 -2.075 1.00 64.34 C ATOM 222 O ILE A 15 8.564 7.782 -0.919 1.00 41.31 O ATOM 223 CB ILE A 15 10.355 5.485 -2.168 1.00 33.43 C ATOM 224 CG1 ILE A 15 11.714 4.903 -2.602 1.00 42.42 C ATOM 225 CG2 ILE A 15 9.209 4.824 -2.935 1.00 21.03 C ATOM 226 CD1 ILE A 15 11.811 3.397 -2.469 1.00 35.22 C ATOM 0 HA ILE A 15 10.589 7.256 -3.409 1.00 53.35 H new ATOM 0 HB ILE A 15 10.208 5.275 -1.109 1.00 33.43 H new ATOM 0 HG12 ILE A 15 11.901 5.178 -3.640 1.00 42.42 H new ATOM 0 HG13 ILE A 15 12.502 5.362 -2.004 1.00 42.42 H new ATOM 0 HG21 ILE A 15 9.238 3.746 -2.775 1.00 21.03 H new ATOM 0 HG22 ILE A 15 8.257 5.218 -2.578 1.00 21.03 H new ATOM 0 HG23 ILE A 15 9.313 5.036 -3.999 1.00 21.03 H new ATOM 0 HD11 ILE A 15 12.797 3.066 -2.794 1.00 35.22 H new ATOM 0 HD12 ILE A 15 11.658 3.113 -1.428 1.00 35.22 H new ATOM 0 HD13 ILE A 15 11.048 2.927 -3.089 1.00 35.22 H new ATOM 238 N THR A 16 8.161 7.815 -3.134 1.00 44.43 N ATOM 239 CA THR A 16 6.789 8.327 -3.001 1.00 45.12 C ATOM 240 C THR A 16 5.816 7.213 -2.604 1.00 61.45 C ATOM 241 O THR A 16 6.056 6.036 -2.880 1.00 33.41 O ATOM 242 CB THR A 16 6.287 8.953 -4.323 1.00 50.12 C ATOM 243 OG1 THR A 16 6.218 7.949 -5.350 1.00 72.42 O ATOM 244 CG2 THR A 16 7.204 10.082 -4.777 1.00 62.33 C ATOM 0 H THR A 16 8.457 7.662 -4.098 1.00 44.43 H new ATOM 0 HA THR A 16 6.820 9.089 -2.222 1.00 45.12 H new ATOM 0 HB THR A 16 5.293 9.363 -4.145 1.00 50.12 H new ATOM 0 HG1 THR A 16 5.898 8.354 -6.183 1.00 72.42 H new ATOM 0 HG21 THR A 16 6.828 10.504 -5.709 1.00 62.33 H new ATOM 0 HG22 THR A 16 7.232 10.858 -4.012 1.00 62.33 H new ATOM 0 HG23 THR A 16 8.210 9.693 -4.935 1.00 62.33 H new ATOM 252 N LEU A 17 4.708 7.594 -1.974 1.00 71.01 N ATOM 253 CA LEU A 17 3.679 6.630 -1.564 1.00 33.32 C ATOM 254 C LEU A 17 3.072 5.919 -2.786 1.00 23.12 C ATOM 255 O LEU A 17 2.627 4.773 -2.694 1.00 11.34 O ATOM 256 CB LEU A 17 2.585 7.347 -0.756 1.00 32.52 C ATOM 257 CG LEU A 17 1.460 6.446 -0.213 1.00 64.22 C ATOM 258 CD1 LEU A 17 2.030 5.324 0.645 1.00 50.32 C ATOM 259 CD2 LEU A 17 0.448 7.269 0.584 1.00 70.25 C ATOM 0 H LEU A 17 4.495 8.562 -1.734 1.00 71.01 H new ATOM 0 HA LEU A 17 4.144 5.871 -0.935 1.00 33.32 H new ATOM 0 HB2 LEU A 17 3.055 7.857 0.085 1.00 32.52 H new ATOM 0 HB3 LEU A 17 2.138 8.116 -1.386 1.00 32.52 H new ATOM 0 HG LEU A 17 0.946 5.997 -1.063 1.00 64.22 H new ATOM 0 HD11 LEU A 17 1.216 4.701 1.017 1.00 50.32 H new ATOM 0 HD12 LEU A 17 2.708 4.716 0.046 1.00 50.32 H new ATOM 0 HD13 LEU A 17 2.575 5.751 1.487 1.00 50.32 H new ATOM 0 HD21 LEU A 17 -0.339 6.614 0.959 1.00 70.25 H new ATOM 0 HD22 LEU A 17 0.950 7.750 1.423 1.00 70.25 H new ATOM 0 HD23 LEU A 17 0.010 8.030 -0.061 1.00 70.25 H new ATOM 271 N GLN A 18 3.072 6.602 -3.931 1.00 21.43 N ATOM 272 CA GLN A 18 2.603 6.013 -5.189 1.00 50.11 C ATOM 273 C GLN A 18 3.470 4.807 -5.591 1.00 64.31 C ATOM 274 O GLN A 18 2.965 3.696 -5.750 1.00 15.44 O ATOM 275 CB GLN A 18 2.605 7.067 -6.308 1.00 51.31 C ATOM 276 CG GLN A 18 2.136 6.534 -7.660 1.00 23.32 C ATOM 277 CD GLN A 18 2.160 7.582 -8.758 1.00 72.11 C ATOM 278 OE1 GLN A 18 1.982 8.770 -8.507 1.00 23.22 O ATOM 279 NE2 GLN A 18 2.393 7.157 -9.980 1.00 21.31 N ATOM 0 H GLN A 18 3.392 7.567 -4.015 1.00 21.43 H new ATOM 0 HA GLN A 18 1.582 5.663 -5.038 1.00 50.11 H new ATOM 0 HB2 GLN A 18 1.963 7.897 -6.013 1.00 51.31 H new ATOM 0 HB3 GLN A 18 3.613 7.467 -6.416 1.00 51.31 H new ATOM 0 HG2 GLN A 18 2.769 5.696 -7.952 1.00 23.32 H new ATOM 0 HG3 GLN A 18 1.122 6.147 -7.559 1.00 23.32 H new ATOM 0 HE21 GLN A 18 2.537 6.163 -10.155 1.00 21.31 H new ATOM 0 HE22 GLN A 18 2.430 7.822 -10.753 1.00 21.31 H new ATOM 288 N LYS A 19 4.777 5.034 -5.747 1.00 61.51 N ATOM 289 CA LYS A 19 5.722 3.955 -6.073 1.00 53.31 C ATOM 290 C LYS A 19 5.714 2.866 -4.986 1.00 50.11 C ATOM 291 O LYS A 19 5.730 1.675 -5.294 1.00 32.45 O ATOM 292 CB LYS A 19 7.134 4.543 -6.279 1.00 43.40 C ATOM 293 CG LYS A 19 8.291 3.544 -6.159 1.00 25.35 C ATOM 294 CD LYS A 19 8.181 2.351 -7.113 1.00 32.32 C ATOM 295 CE LYS A 19 8.213 2.747 -8.585 1.00 51.10 C ATOM 296 NZ LYS A 19 8.310 1.552 -9.472 1.00 62.10 N ATOM 0 H LYS A 19 5.208 5.954 -5.653 1.00 61.51 H new ATOM 0 HA LYS A 19 5.409 3.479 -7.002 1.00 53.31 H new ATOM 0 HB2 LYS A 19 7.176 5.003 -7.266 1.00 43.40 H new ATOM 0 HB3 LYS A 19 7.287 5.338 -5.549 1.00 43.40 H new ATOM 0 HG2 LYS A 19 9.229 4.065 -6.350 1.00 25.35 H new ATOM 0 HG3 LYS A 19 8.335 3.175 -5.134 1.00 25.35 H new ATOM 0 HD2 LYS A 19 8.999 1.659 -6.913 1.00 32.32 H new ATOM 0 HD3 LYS A 19 7.254 1.816 -6.908 1.00 32.32 H new ATOM 0 HE2 LYS A 19 7.313 3.311 -8.830 1.00 51.10 H new ATOM 0 HE3 LYS A 19 9.062 3.406 -8.767 1.00 51.10 H new ATOM 0 HZ1 LYS A 19 7.688 1.680 -10.296 1.00 62.10 H new ATOM 0 HZ2 LYS A 19 9.292 1.437 -9.794 1.00 62.10 H new ATOM 0 HZ3 LYS A 19 8.017 0.704 -8.946 1.00 62.10 H new ATOM 310 N LEU A 20 5.668 3.284 -3.720 1.00 62.32 N ATOM 311 CA LEU A 20 5.570 2.347 -2.593 1.00 44.22 C ATOM 312 C LEU A 20 4.384 1.383 -2.794 1.00 72.55 C ATOM 313 O LEU A 20 4.554 0.157 -2.836 1.00 23.04 O ATOM 314 CB LEU A 20 5.428 3.150 -1.280 1.00 73.41 C ATOM 315 CG LEU A 20 5.450 2.345 0.040 1.00 51.02 C ATOM 316 CD1 LEU A 20 5.864 3.244 1.205 1.00 11.44 C ATOM 317 CD2 LEU A 20 4.086 1.713 0.332 1.00 4.10 C ATOM 0 H LEU A 20 5.697 4.266 -3.446 1.00 62.32 H new ATOM 0 HA LEU A 20 6.475 1.741 -2.538 1.00 44.22 H new ATOM 0 HB2 LEU A 20 6.233 3.884 -1.243 1.00 73.41 H new ATOM 0 HB3 LEU A 20 4.491 3.706 -1.322 1.00 73.41 H new ATOM 0 HG LEU A 20 6.180 1.544 -0.074 1.00 51.02 H new ATOM 0 HD11 LEU A 20 5.875 2.663 2.127 1.00 11.44 H new ATOM 0 HD12 LEU A 20 6.860 3.646 1.018 1.00 11.44 H new ATOM 0 HD13 LEU A 20 5.153 4.065 1.302 1.00 11.44 H new ATOM 0 HD21 LEU A 20 4.136 1.154 1.267 1.00 4.10 H new ATOM 0 HD22 LEU A 20 3.333 2.496 0.417 1.00 4.10 H new ATOM 0 HD23 LEU A 20 3.817 1.038 -0.480 1.00 4.10 H new ATOM 329 N LEU A 21 3.186 1.949 -2.947 1.00 31.22 N ATOM 330 CA LEU A 21 1.974 1.154 -3.171 1.00 61.23 C ATOM 331 C LEU A 21 2.064 0.348 -4.481 1.00 45.44 C ATOM 332 O LEU A 21 1.574 -0.779 -4.559 1.00 72.10 O ATOM 333 CB LEU A 21 0.737 2.067 -3.193 1.00 54.12 C ATOM 334 CG LEU A 21 -0.617 1.348 -3.330 1.00 13.23 C ATOM 335 CD1 LEU A 21 -0.865 0.419 -2.144 1.00 2.31 C ATOM 336 CD2 LEU A 21 -1.751 2.361 -3.471 1.00 20.24 C ATOM 0 H LEU A 21 3.027 2.956 -2.920 1.00 31.22 H new ATOM 0 HA LEU A 21 1.881 0.446 -2.348 1.00 61.23 H new ATOM 0 HB2 LEU A 21 0.725 2.655 -2.275 1.00 54.12 H new ATOM 0 HB3 LEU A 21 0.841 2.769 -4.020 1.00 54.12 H new ATOM 0 HG LEU A 21 -0.587 0.738 -4.233 1.00 13.23 H new ATOM 0 HD11 LEU A 21 -1.828 -0.077 -2.265 1.00 2.31 H new ATOM 0 HD12 LEU A 21 -0.075 -0.330 -2.097 1.00 2.31 H new ATOM 0 HD13 LEU A 21 -0.870 1.000 -1.222 1.00 2.31 H new ATOM 0 HD21 LEU A 21 -2.700 1.834 -3.567 1.00 20.24 H new ATOM 0 HD22 LEU A 21 -1.779 3.001 -2.589 1.00 20.24 H new ATOM 0 HD23 LEU A 21 -1.585 2.972 -4.358 1.00 20.24 H new ATOM 348 N THR A 22 2.702 0.927 -5.502 1.00 11.31 N ATOM 349 CA THR A 22 2.866 0.254 -6.804 1.00 11.42 C ATOM 350 C THR A 22 3.606 -1.082 -6.649 1.00 53.21 C ATOM 351 O THR A 22 3.141 -2.116 -7.130 1.00 51.11 O ATOM 352 CB THR A 22 3.629 1.135 -7.832 1.00 64.04 C ATOM 353 OG1 THR A 22 2.927 2.366 -8.063 1.00 3.14 O ATOM 354 CG2 THR A 22 3.811 0.405 -9.161 1.00 51.15 C ATOM 0 H THR A 22 3.115 1.859 -5.457 1.00 11.31 H new ATOM 0 HA THR A 22 1.859 0.075 -7.181 1.00 11.42 H new ATOM 0 HB THR A 22 4.611 1.349 -7.410 1.00 64.04 H new ATOM 0 HG1 THR A 22 3.047 2.960 -7.293 1.00 3.14 H new ATOM 0 HG21 THR A 22 4.348 1.048 -9.859 1.00 51.15 H new ATOM 0 HG22 THR A 22 4.381 -0.510 -8.998 1.00 51.15 H new ATOM 0 HG23 THR A 22 2.834 0.156 -9.576 1.00 51.15 H new ATOM 362 N GLU A 23 4.756 -1.055 -5.968 1.00 0.43 N ATOM 363 CA GLU A 23 5.539 -2.274 -5.715 1.00 45.22 C ATOM 364 C GLU A 23 4.712 -3.312 -4.939 1.00 22.00 C ATOM 365 O GLU A 23 4.811 -4.520 -5.184 1.00 12.32 O ATOM 366 CB GLU A 23 6.820 -1.935 -4.933 1.00 74.20 C ATOM 367 CG GLU A 23 7.706 -0.880 -5.598 1.00 60.43 C ATOM 368 CD GLU A 23 8.148 -1.262 -7.005 1.00 23.40 C ATOM 369 OE1 GLU A 23 9.096 -2.067 -7.140 1.00 23.52 O ATOM 370 OE2 GLU A 23 7.561 -0.749 -7.986 1.00 22.52 O ATOM 0 H GLU A 23 5.167 -0.205 -5.582 1.00 0.43 H new ATOM 0 HA GLU A 23 5.812 -2.703 -6.679 1.00 45.22 H new ATOM 0 HB2 GLU A 23 6.542 -1.584 -3.939 1.00 74.20 H new ATOM 0 HB3 GLU A 23 7.401 -2.847 -4.798 1.00 74.20 H new ATOM 0 HG2 GLU A 23 7.165 0.065 -5.639 1.00 60.43 H new ATOM 0 HG3 GLU A 23 8.589 -0.715 -4.980 1.00 60.43 H new ATOM 377 N LEU A 24 3.890 -2.834 -4.001 1.00 53.53 N ATOM 378 CA LEU A 24 2.994 -3.713 -3.241 1.00 51.14 C ATOM 379 C LEU A 24 1.950 -4.379 -4.156 1.00 1.50 C ATOM 380 O LEU A 24 1.685 -5.576 -4.038 1.00 2.05 O ATOM 381 CB LEU A 24 2.294 -2.931 -2.123 1.00 35.42 C ATOM 382 CG LEU A 24 3.232 -2.282 -1.092 1.00 64.22 C ATOM 383 CD1 LEU A 24 2.431 -1.587 0.005 1.00 62.43 C ATOM 384 CD2 LEU A 24 4.186 -3.317 -0.494 1.00 72.40 C ATOM 0 H LEU A 24 3.825 -1.848 -3.750 1.00 53.53 H new ATOM 0 HA LEU A 24 3.603 -4.500 -2.796 1.00 51.14 H new ATOM 0 HB2 LEU A 24 1.682 -2.151 -2.575 1.00 35.42 H new ATOM 0 HB3 LEU A 24 1.616 -3.605 -1.600 1.00 35.42 H new ATOM 0 HG LEU A 24 3.830 -1.529 -1.606 1.00 64.22 H new ATOM 0 HD11 LEU A 24 3.114 -1.135 0.724 1.00 62.43 H new ATOM 0 HD12 LEU A 24 1.805 -0.812 -0.437 1.00 62.43 H new ATOM 0 HD13 LEU A 24 1.801 -2.317 0.513 1.00 62.43 H new ATOM 0 HD21 LEU A 24 4.839 -2.833 0.232 1.00 72.40 H new ATOM 0 HD22 LEU A 24 3.610 -4.100 0.000 1.00 72.40 H new ATOM 0 HD23 LEU A 24 4.789 -3.757 -1.288 1.00 72.40 H new ATOM 396 N VAL A 25 1.369 -3.601 -5.068 1.00 21.11 N ATOM 397 CA VAL A 25 0.403 -4.134 -6.037 1.00 42.32 C ATOM 398 C VAL A 25 1.074 -5.134 -6.991 1.00 33.35 C ATOM 399 O VAL A 25 0.484 -6.148 -7.365 1.00 31.51 O ATOM 400 CB VAL A 25 -0.253 -2.997 -6.863 1.00 21.23 C ATOM 401 CG1 VAL A 25 -1.229 -3.559 -7.903 1.00 70.42 C ATOM 402 CG2 VAL A 25 -0.952 -2.000 -5.943 1.00 22.43 C ATOM 0 H VAL A 25 1.548 -2.601 -5.159 1.00 21.11 H new ATOM 0 HA VAL A 25 -0.372 -4.648 -5.468 1.00 42.32 H new ATOM 0 HB VAL A 25 0.537 -2.472 -7.400 1.00 21.23 H new ATOM 0 HG11 VAL A 25 -1.673 -2.738 -8.466 1.00 70.42 H new ATOM 0 HG12 VAL A 25 -0.693 -4.219 -8.585 1.00 70.42 H new ATOM 0 HG13 VAL A 25 -2.016 -4.120 -7.398 1.00 70.42 H new ATOM 0 HG21 VAL A 25 -1.406 -1.210 -6.541 1.00 22.43 H new ATOM 0 HG22 VAL A 25 -1.726 -2.513 -5.372 1.00 22.43 H new ATOM 0 HG23 VAL A 25 -0.224 -1.564 -5.259 1.00 22.43 H new ATOM 412 N GLU A 26 2.310 -4.837 -7.381 1.00 25.22 N ATOM 413 CA GLU A 26 3.092 -5.727 -8.244 1.00 32.52 C ATOM 414 C GLU A 26 3.333 -7.093 -7.586 1.00 52.23 C ATOM 415 O GLU A 26 2.993 -8.132 -8.149 1.00 5.13 O ATOM 416 CB GLU A 26 4.435 -5.073 -8.594 1.00 43.24 C ATOM 417 CG GLU A 26 4.324 -3.925 -9.591 1.00 33.35 C ATOM 418 CD GLU A 26 3.902 -4.392 -10.975 1.00 24.23 C ATOM 419 OE1 GLU A 26 4.770 -4.875 -11.734 1.00 63.35 O ATOM 420 OE2 GLU A 26 2.704 -4.281 -11.318 1.00 63.23 O ATOM 0 H GLU A 26 2.797 -3.982 -7.113 1.00 25.22 H new ATOM 0 HA GLU A 26 2.516 -5.893 -9.155 1.00 32.52 H new ATOM 0 HB2 GLU A 26 4.897 -4.702 -7.679 1.00 43.24 H new ATOM 0 HB3 GLU A 26 5.102 -5.832 -9.002 1.00 43.24 H new ATOM 0 HG2 GLU A 26 3.602 -3.196 -9.222 1.00 33.35 H new ATOM 0 HG3 GLU A 26 5.285 -3.415 -9.661 1.00 33.35 H new ATOM 427 N HIS A 27 3.923 -7.083 -6.392 1.00 24.32 N ATOM 428 CA HIS A 27 4.254 -8.326 -5.681 1.00 3.22 C ATOM 429 C HIS A 27 3.012 -8.968 -5.037 1.00 53.34 C ATOM 430 O HIS A 27 2.649 -10.102 -5.354 1.00 62.41 O ATOM 431 CB HIS A 27 5.314 -8.052 -4.606 1.00 30.50 C ATOM 432 CG HIS A 27 5.884 -9.294 -3.988 1.00 53.12 C ATOM 433 ND1 HIS A 27 5.384 -9.871 -2.835 1.00 71.23 N ATOM 434 CD2 HIS A 27 6.930 -10.066 -4.364 1.00 31.44 C ATOM 435 CE1 HIS A 27 6.104 -10.932 -2.532 1.00 21.44 C ATOM 436 NE2 HIS A 27 7.043 -11.074 -3.442 1.00 33.54 N ATOM 0 H HIS A 27 4.183 -6.232 -5.894 1.00 24.32 H new ATOM 0 HA HIS A 27 4.649 -9.028 -6.415 1.00 3.22 H new ATOM 0 HB2 HIS A 27 6.124 -7.472 -5.048 1.00 30.50 H new ATOM 0 HB3 HIS A 27 4.872 -7.437 -3.822 1.00 30.50 H new ATOM 0 HD2 HIS A 27 7.559 -9.916 -5.229 1.00 31.44 H new ATOM 0 HE1 HIS A 27 5.949 -11.577 -1.680 1.00 21.44 H new ATOM 0 HE2 HIS A 27 7.743 -11.816 -3.459 1.00 33.54 H new ATOM 445 N TYR A 28 2.366 -8.236 -4.132 1.00 2.24 N ATOM 446 CA TYR A 28 1.223 -8.768 -3.372 1.00 71.03 C ATOM 447 C TYR A 28 -0.065 -8.769 -4.208 1.00 23.55 C ATOM 448 O TYR A 28 -0.691 -9.811 -4.402 1.00 61.34 O ATOM 449 CB TYR A 28 1.007 -7.945 -2.093 1.00 14.04 C ATOM 450 CG TYR A 28 2.212 -7.899 -1.167 1.00 24.30 C ATOM 451 CD1 TYR A 28 3.200 -6.932 -1.322 1.00 75.44 C ATOM 452 CD2 TYR A 28 2.361 -8.821 -0.135 1.00 0.43 C ATOM 453 CE1 TYR A 28 4.294 -6.883 -0.480 1.00 51.34 C ATOM 454 CE2 TYR A 28 3.455 -8.776 0.711 1.00 31.43 C ATOM 455 CZ TYR A 28 4.416 -7.806 0.534 1.00 31.40 C ATOM 456 OH TYR A 28 5.505 -7.760 1.375 1.00 71.31 O ATOM 0 H TYR A 28 2.610 -7.272 -3.903 1.00 2.24 H new ATOM 0 HA TYR A 28 1.457 -9.800 -3.109 1.00 71.03 H new ATOM 0 HB2 TYR A 28 0.739 -6.926 -2.372 1.00 14.04 H new ATOM 0 HB3 TYR A 28 0.160 -8.360 -1.547 1.00 14.04 H new ATOM 0 HD1 TYR A 28 3.110 -6.205 -2.116 1.00 75.44 H new ATOM 0 HD2 TYR A 28 1.610 -9.584 0.008 1.00 0.43 H new ATOM 0 HE1 TYR A 28 5.050 -6.124 -0.617 1.00 51.34 H new ATOM 0 HE2 TYR A 28 3.555 -9.499 1.507 1.00 31.43 H new ATOM 0 HH TYR A 28 5.438 -8.480 2.036 1.00 71.31 H new ATOM 466 N GLY A 29 -0.453 -7.596 -4.704 1.00 31.42 N ATOM 467 CA GLY A 29 -1.702 -7.466 -5.455 1.00 32.15 C ATOM 468 C GLY A 29 -2.835 -6.878 -4.616 1.00 20.45 C ATOM 469 O GLY A 29 -2.847 -7.028 -3.391 1.00 51.11 O ATOM 0 H GLY A 29 0.073 -6.728 -4.601 1.00 31.42 H new ATOM 0 HA2 GLY A 29 -1.533 -6.832 -6.326 1.00 32.15 H new ATOM 0 HA3 GLY A 29 -2.001 -8.446 -5.827 1.00 32.15 H new ATOM 473 N TRP A 30 -3.795 -6.216 -5.272 1.00 41.43 N ATOM 474 CA TRP A 30 -4.910 -5.557 -4.569 1.00 11.14 C ATOM 475 C TRP A 30 -5.624 -6.509 -3.596 1.00 11.25 C ATOM 476 O TRP A 30 -5.942 -6.131 -2.466 1.00 52.15 O ATOM 477 CB TRP A 30 -5.933 -4.988 -5.565 1.00 54.11 C ATOM 478 CG TRP A 30 -5.388 -3.890 -6.436 1.00 63.23 C ATOM 479 CD1 TRP A 30 -5.192 -3.932 -7.785 1.00 1.33 C ATOM 480 CD2 TRP A 30 -4.965 -2.585 -6.012 1.00 33.40 C ATOM 481 NE1 TRP A 30 -4.684 -2.737 -8.227 1.00 21.35 N ATOM 482 CE2 TRP A 30 -4.533 -1.896 -7.160 1.00 11.12 C ATOM 483 CE3 TRP A 30 -4.914 -1.935 -4.778 1.00 35.13 C ATOM 484 CZ2 TRP A 30 -4.055 -0.589 -7.108 1.00 13.22 C ATOM 485 CZ3 TRP A 30 -4.436 -0.639 -4.727 1.00 0.24 C ATOM 486 CH2 TRP A 30 -4.013 0.021 -5.885 1.00 51.24 C ATOM 0 H TRP A 30 -3.825 -6.120 -6.287 1.00 41.43 H new ATOM 0 HA TRP A 30 -4.473 -4.742 -3.993 1.00 11.14 H new ATOM 0 HB2 TRP A 30 -6.296 -5.796 -6.200 1.00 54.11 H new ATOM 0 HB3 TRP A 30 -6.792 -4.607 -5.012 1.00 54.11 H new ATOM 0 HD1 TRP A 30 -5.406 -4.783 -8.414 1.00 1.33 H new ATOM 0 HE1 TRP A 30 -4.456 -2.512 -9.195 1.00 21.35 H new ATOM 0 HE3 TRP A 30 -5.242 -2.436 -3.879 1.00 35.13 H new ATOM 0 HZ2 TRP A 30 -3.729 -0.076 -8.001 1.00 13.22 H new ATOM 0 HZ3 TRP A 30 -4.388 -0.128 -3.777 1.00 0.24 H new ATOM 0 HH2 TRP A 30 -3.645 1.034 -5.812 1.00 51.24 H new ATOM 497 N GLU A 31 -5.867 -7.741 -4.038 1.00 1.54 N ATOM 498 CA GLU A 31 -6.549 -8.743 -3.210 1.00 0.24 C ATOM 499 C GLU A 31 -5.810 -9.003 -1.889 1.00 2.21 C ATOM 500 O GLU A 31 -6.415 -8.988 -0.815 1.00 13.51 O ATOM 501 CB GLU A 31 -6.696 -10.055 -3.986 1.00 62.31 C ATOM 502 CG GLU A 31 -7.648 -9.969 -5.171 1.00 3.44 C ATOM 503 CD GLU A 31 -7.722 -11.269 -5.951 1.00 72.30 C ATOM 504 OE1 GLU A 31 -8.079 -12.306 -5.348 1.00 65.21 O ATOM 505 OE2 GLU A 31 -7.436 -11.261 -7.165 1.00 23.42 O ATOM 0 H GLU A 31 -5.603 -8.073 -4.965 1.00 1.54 H new ATOM 0 HA GLU A 31 -7.534 -8.345 -2.966 1.00 0.24 H new ATOM 0 HB2 GLU A 31 -5.714 -10.366 -4.343 1.00 62.31 H new ATOM 0 HB3 GLU A 31 -7.048 -10.830 -3.306 1.00 62.31 H new ATOM 0 HG2 GLU A 31 -8.644 -9.705 -4.815 1.00 3.44 H new ATOM 0 HG3 GLU A 31 -7.325 -9.168 -5.836 1.00 3.44 H new ATOM 512 N GLU A 32 -4.505 -9.252 -1.968 1.00 5.34 N ATOM 513 CA GLU A 32 -3.699 -9.519 -0.772 1.00 53.03 C ATOM 514 C GLU A 32 -3.595 -8.274 0.117 1.00 41.42 C ATOM 515 O GLU A 32 -3.599 -8.371 1.346 1.00 22.41 O ATOM 516 CB GLU A 32 -2.300 -10.026 -1.157 1.00 24.51 C ATOM 517 CG GLU A 32 -2.319 -11.327 -1.958 1.00 34.31 C ATOM 518 CD GLU A 32 -3.123 -12.430 -1.282 1.00 41.32 C ATOM 519 OE1 GLU A 32 -2.572 -13.115 -0.391 1.00 10.32 O ATOM 520 OE2 GLU A 32 -4.311 -12.604 -1.631 1.00 33.13 O ATOM 0 H GLU A 32 -3.981 -9.275 -2.843 1.00 5.34 H new ATOM 0 HA GLU A 32 -4.202 -10.299 -0.201 1.00 53.03 H new ATOM 0 HB2 GLU A 32 -1.792 -9.258 -1.740 1.00 24.51 H new ATOM 0 HB3 GLU A 32 -1.715 -10.176 -0.250 1.00 24.51 H new ATOM 0 HG2 GLU A 32 -2.737 -11.133 -2.946 1.00 34.31 H new ATOM 0 HG3 GLU A 32 -1.295 -11.670 -2.107 1.00 34.31 H new ATOM 527 N LEU A 33 -3.521 -7.102 -0.509 1.00 15.41 N ATOM 528 CA LEU A 33 -3.533 -5.839 0.230 1.00 14.00 C ATOM 529 C LEU A 33 -4.882 -5.647 0.950 1.00 62.43 C ATOM 530 O LEU A 33 -4.934 -5.121 2.060 1.00 23.40 O ATOM 531 CB LEU A 33 -3.249 -4.662 -0.719 1.00 14.13 C ATOM 532 CG LEU A 33 -1.890 -4.712 -1.441 1.00 34.13 C ATOM 533 CD1 LEU A 33 -1.743 -3.531 -2.400 1.00 51.33 C ATOM 534 CD2 LEU A 33 -0.744 -4.739 -0.427 1.00 53.10 C ATOM 0 H LEU A 33 -3.452 -6.999 -1.521 1.00 15.41 H new ATOM 0 HA LEU A 33 -2.747 -5.870 0.984 1.00 14.00 H new ATOM 0 HB2 LEU A 33 -4.039 -4.623 -1.469 1.00 14.13 H new ATOM 0 HB3 LEU A 33 -3.305 -3.735 -0.148 1.00 14.13 H new ATOM 0 HG LEU A 33 -1.846 -5.629 -2.028 1.00 34.13 H new ATOM 0 HD11 LEU A 33 -0.776 -3.586 -2.899 1.00 51.33 H new ATOM 0 HD12 LEU A 33 -2.538 -3.566 -3.145 1.00 51.33 H new ATOM 0 HD13 LEU A 33 -1.810 -2.598 -1.841 1.00 51.33 H new ATOM 0 HD21 LEU A 33 0.209 -4.774 -0.955 1.00 53.10 H new ATOM 0 HD22 LEU A 33 -0.783 -3.842 0.191 1.00 53.10 H new ATOM 0 HD23 LEU A 33 -0.840 -5.620 0.207 1.00 53.10 H new ATOM 546 N SER A 34 -5.966 -6.106 0.316 1.00 12.13 N ATOM 547 CA SER A 34 -7.313 -6.065 0.919 1.00 72.12 C ATOM 548 C SER A 34 -7.453 -7.114 2.031 1.00 13.45 C ATOM 549 O SER A 34 -8.215 -6.933 2.981 1.00 51.41 O ATOM 550 CB SER A 34 -8.396 -6.317 -0.145 1.00 12.50 C ATOM 551 OG SER A 34 -8.347 -5.353 -1.184 1.00 3.41 O ATOM 0 H SER A 34 -5.942 -6.513 -0.619 1.00 12.13 H new ATOM 0 HA SER A 34 -7.446 -5.071 1.346 1.00 72.12 H new ATOM 0 HB2 SER A 34 -8.266 -7.313 -0.567 1.00 12.50 H new ATOM 0 HB3 SER A 34 -9.379 -6.296 0.325 1.00 12.50 H new ATOM 0 HG SER A 34 -7.544 -5.498 -1.727 1.00 3.41 H new ATOM 557 N TYR A 35 -6.730 -8.225 1.885 1.00 71.22 N ATOM 558 CA TYR A 35 -6.721 -9.293 2.894 1.00 63.31 C ATOM 559 C TYR A 35 -5.970 -8.859 4.161 1.00 45.01 C ATOM 560 O TYR A 35 -6.399 -9.145 5.280 1.00 64.11 O ATOM 561 CB TYR A 35 -6.082 -10.561 2.306 1.00 65.24 C ATOM 562 CG TYR A 35 -5.975 -11.721 3.286 1.00 54.53 C ATOM 563 CD1 TYR A 35 -7.067 -12.544 3.548 1.00 0.14 C ATOM 564 CD2 TYR A 35 -4.778 -11.996 3.945 1.00 53.01 C ATOM 565 CE1 TYR A 35 -6.969 -13.600 4.438 1.00 33.31 C ATOM 566 CE2 TYR A 35 -4.675 -13.049 4.833 1.00 44.14 C ATOM 567 CZ TYR A 35 -5.771 -13.848 5.074 1.00 72.30 C ATOM 568 OH TYR A 35 -5.664 -14.902 5.960 1.00 40.30 O ATOM 0 H TYR A 35 -6.139 -8.412 1.075 1.00 71.22 H new ATOM 0 HA TYR A 35 -7.753 -9.505 3.174 1.00 63.31 H new ATOM 0 HB2 TYR A 35 -6.667 -10.882 1.444 1.00 65.24 H new ATOM 0 HB3 TYR A 35 -5.085 -10.315 1.941 1.00 65.24 H new ATOM 0 HD1 TYR A 35 -8.006 -12.356 3.049 1.00 0.14 H new ATOM 0 HD2 TYR A 35 -3.915 -11.374 3.758 1.00 53.01 H new ATOM 0 HE1 TYR A 35 -7.827 -14.226 4.633 1.00 33.31 H new ATOM 0 HE2 TYR A 35 -3.740 -13.245 5.336 1.00 44.14 H new ATOM 0 HH TYR A 35 -4.753 -14.937 6.319 1.00 40.30 H new ATOM 578 N MET A 36 -4.835 -8.182 3.981 1.00 13.21 N ATOM 579 CA MET A 36 -4.045 -7.674 5.110 1.00 55.12 C ATOM 580 C MET A 36 -4.641 -6.367 5.668 1.00 5.22 C ATOM 581 O MET A 36 -5.025 -6.296 6.835 1.00 61.33 O ATOM 582 CB MET A 36 -2.582 -7.472 4.686 1.00 70.22 C ATOM 583 CG MET A 36 -1.858 -8.779 4.376 1.00 44.03 C ATOM 584 SD MET A 36 -0.170 -8.527 3.784 1.00 43.13 S ATOM 585 CE MET A 36 -0.467 -7.726 2.205 1.00 24.45 C ATOM 0 H MET A 36 -4.440 -7.971 3.065 1.00 13.21 H new ATOM 0 HA MET A 36 -4.077 -8.415 5.908 1.00 55.12 H new ATOM 0 HB2 MET A 36 -2.551 -6.830 3.806 1.00 70.22 H new ATOM 0 HB3 MET A 36 -2.049 -6.949 5.480 1.00 70.22 H new ATOM 0 HG2 MET A 36 -1.834 -9.397 5.274 1.00 44.03 H new ATOM 0 HG3 MET A 36 -2.422 -9.331 3.624 1.00 44.03 H new ATOM 0 HE1 MET A 36 0.472 -7.335 1.813 1.00 24.45 H new ATOM 0 HE2 MET A 36 -0.880 -8.449 1.502 1.00 24.45 H new ATOM 0 HE3 MET A 36 -1.173 -6.907 2.340 1.00 24.45 H new ATOM 595 N VAL A 37 -4.726 -5.337 4.828 1.00 3.33 N ATOM 596 CA VAL A 37 -5.342 -4.065 5.224 1.00 3.52 C ATOM 597 C VAL A 37 -6.798 -4.001 4.736 1.00 71.30 C ATOM 598 O VAL A 37 -7.080 -3.554 3.619 1.00 22.22 O ATOM 599 CB VAL A 37 -4.547 -2.853 4.673 1.00 21.35 C ATOM 600 CG1 VAL A 37 -5.137 -1.538 5.176 1.00 72.25 C ATOM 601 CG2 VAL A 37 -3.069 -2.960 5.046 1.00 73.25 C ATOM 0 H VAL A 37 -4.378 -5.355 3.870 1.00 3.33 H new ATOM 0 HA VAL A 37 -5.325 -4.015 6.313 1.00 3.52 H new ATOM 0 HB VAL A 37 -4.627 -2.864 3.586 1.00 21.35 H new ATOM 0 HG11 VAL A 37 -4.561 -0.704 4.775 1.00 72.25 H new ATOM 0 HG12 VAL A 37 -6.173 -1.455 4.848 1.00 72.25 H new ATOM 0 HG13 VAL A 37 -5.099 -1.515 6.265 1.00 72.25 H new ATOM 0 HG21 VAL A 37 -2.530 -2.099 4.649 1.00 73.25 H new ATOM 0 HG22 VAL A 37 -2.968 -2.982 6.131 1.00 73.25 H new ATOM 0 HG23 VAL A 37 -2.653 -3.875 4.624 1.00 73.25 H new ATOM 611 N ASN A 38 -7.719 -4.474 5.576 1.00 20.51 N ATOM 612 CA ASN A 38 -9.137 -4.575 5.207 1.00 3.31 C ATOM 613 C ASN A 38 -9.810 -3.190 5.125 1.00 22.14 C ATOM 614 O ASN A 38 -10.486 -2.757 6.063 1.00 52.30 O ATOM 615 CB ASN A 38 -9.877 -5.467 6.218 1.00 43.22 C ATOM 616 CG ASN A 38 -11.270 -5.858 5.750 1.00 40.40 C ATOM 617 OD1 ASN A 38 -11.464 -6.910 5.147 1.00 21.45 O ATOM 618 ND2 ASN A 38 -12.249 -5.019 6.022 1.00 4.22 N ATOM 0 H ASN A 38 -7.510 -4.795 6.521 1.00 20.51 H new ATOM 0 HA ASN A 38 -9.193 -5.024 4.215 1.00 3.31 H new ATOM 0 HB2 ASN A 38 -9.292 -6.369 6.396 1.00 43.22 H new ATOM 0 HB3 ASN A 38 -9.953 -4.943 7.171 1.00 43.22 H new ATOM 0 HD21 ASN A 38 -13.202 -5.235 5.730 1.00 4.22 H new ATOM 0 HD22 ASN A 38 -12.054 -4.153 6.525 1.00 4.22 H new ATOM 625 N ILE A 39 -9.592 -2.487 4.013 1.00 1.32 N ATOM 626 CA ILE A 39 -10.241 -1.191 3.767 1.00 22.04 C ATOM 627 C ILE A 39 -10.880 -1.141 2.368 1.00 25.20 C ATOM 628 O ILE A 39 -10.486 -1.873 1.459 1.00 31.31 O ATOM 629 CB ILE A 39 -9.256 0.001 3.929 1.00 53.24 C ATOM 630 CG1 ILE A 39 -8.027 -0.168 3.019 1.00 44.52 C ATOM 631 CG2 ILE A 39 -8.832 0.158 5.390 1.00 71.43 C ATOM 632 CD1 ILE A 39 -7.071 1.007 3.053 1.00 3.13 C ATOM 0 H ILE A 39 -8.970 -2.791 3.264 1.00 1.32 H new ATOM 0 HA ILE A 39 -11.022 -1.094 4.521 1.00 22.04 H new ATOM 0 HB ILE A 39 -9.775 0.909 3.624 1.00 53.24 H new ATOM 0 HG12 ILE A 39 -7.490 -1.069 3.314 1.00 44.52 H new ATOM 0 HG13 ILE A 39 -8.365 -0.320 1.994 1.00 44.52 H new ATOM 0 HG21 ILE A 39 -8.143 0.998 5.481 1.00 71.43 H new ATOM 0 HG22 ILE A 39 -9.712 0.342 6.006 1.00 71.43 H new ATOM 0 HG23 ILE A 39 -8.339 -0.754 5.726 1.00 71.43 H new ATOM 0 HD11 ILE A 39 -6.231 0.812 2.386 1.00 3.13 H new ATOM 0 HD12 ILE A 39 -7.591 1.908 2.728 1.00 3.13 H new ATOM 0 HD13 ILE A 39 -6.702 1.147 4.069 1.00 3.13 H new ATOM 644 N ASN A 40 -11.857 -0.253 2.204 1.00 40.35 N ATOM 645 CA ASN A 40 -12.632 -0.156 0.959 1.00 52.34 C ATOM 646 C ASN A 40 -11.765 0.265 -0.250 1.00 33.40 C ATOM 647 O ASN A 40 -12.102 -0.041 -1.391 1.00 42.11 O ATOM 648 CB ASN A 40 -13.788 0.837 1.164 1.00 12.52 C ATOM 649 CG ASN A 40 -14.627 1.043 -0.086 1.00 12.50 C ATOM 650 OD1 ASN A 40 -15.583 0.315 -0.339 1.00 73.12 O ATOM 651 ND2 ASN A 40 -14.287 2.044 -0.871 1.00 50.21 N ATOM 0 H ASN A 40 -12.136 0.417 2.921 1.00 40.35 H new ATOM 0 HA ASN A 40 -13.023 -1.147 0.728 1.00 52.34 H new ATOM 0 HB2 ASN A 40 -14.429 0.478 1.969 1.00 12.52 H new ATOM 0 HB3 ASN A 40 -13.382 1.797 1.484 1.00 12.52 H new ATOM 0 HD21 ASN A 40 -14.823 2.233 -1.718 1.00 50.21 H new ATOM 0 HD22 ASN A 40 -13.487 2.630 -0.632 1.00 50.21 H new ATOM 658 N CYS A 41 -10.645 0.938 0.019 1.00 61.30 N ATOM 659 CA CYS A 41 -9.776 1.504 -1.036 1.00 2.15 C ATOM 660 C CYS A 41 -9.366 0.477 -2.102 1.00 5.44 C ATOM 661 O CYS A 41 -9.532 0.711 -3.300 1.00 33.52 O ATOM 662 CB CYS A 41 -8.517 2.095 -0.402 1.00 51.33 C ATOM 663 SG CYS A 41 -8.865 3.213 0.965 1.00 1.14 S ATOM 0 H CYS A 41 -10.309 1.110 0.966 1.00 61.30 H new ATOM 0 HA CYS A 41 -10.360 2.275 -1.539 1.00 2.15 H new ATOM 0 HB2 CYS A 41 -7.883 1.283 -0.046 1.00 51.33 H new ATOM 0 HB3 CYS A 41 -7.951 2.630 -1.165 1.00 51.33 H new ATOM 0 HG CYS A 41 -7.748 3.590 1.512 1.00 1.14 H new ATOM 669 N PHE A 42 -8.829 -0.658 -1.664 1.00 71.53 N ATOM 670 CA PHE A 42 -8.321 -1.676 -2.592 1.00 4.42 C ATOM 671 C PHE A 42 -9.462 -2.522 -3.178 1.00 55.42 C ATOM 672 O PHE A 42 -9.250 -3.312 -4.099 1.00 14.21 O ATOM 673 CB PHE A 42 -7.325 -2.602 -1.881 1.00 22.15 C ATOM 674 CG PHE A 42 -6.305 -1.889 -1.031 1.00 23.01 C ATOM 675 CD1 PHE A 42 -5.569 -0.827 -1.536 1.00 31.03 C ATOM 676 CD2 PHE A 42 -6.087 -2.285 0.281 1.00 4.23 C ATOM 677 CE1 PHE A 42 -4.636 -0.178 -0.751 1.00 24.10 C ATOM 678 CE2 PHE A 42 -5.154 -1.637 1.068 1.00 43.44 C ATOM 679 CZ PHE A 42 -4.428 -0.582 0.552 1.00 30.45 C ATOM 0 H PHE A 42 -8.732 -0.900 -0.678 1.00 71.53 H new ATOM 0 HA PHE A 42 -7.820 -1.151 -3.406 1.00 4.42 H new ATOM 0 HB2 PHE A 42 -7.881 -3.298 -1.252 1.00 22.15 H new ATOM 0 HB3 PHE A 42 -6.803 -3.197 -2.630 1.00 22.15 H new ATOM 0 HD1 PHE A 42 -5.727 -0.504 -2.554 1.00 31.03 H new ATOM 0 HD2 PHE A 42 -6.653 -3.108 0.691 1.00 4.23 H new ATOM 0 HE1 PHE A 42 -4.069 0.646 -1.157 1.00 24.10 H new ATOM 0 HE2 PHE A 42 -4.993 -1.956 2.087 1.00 43.44 H new ATOM 0 HZ PHE A 42 -3.699 -0.074 1.167 1.00 30.45 H new ATOM 689 N LYS A 43 -10.667 -2.360 -2.634 1.00 41.52 N ATOM 690 CA LYS A 43 -11.815 -3.181 -3.034 1.00 34.51 C ATOM 691 C LYS A 43 -12.717 -2.447 -4.038 1.00 14.22 C ATOM 692 O LYS A 43 -12.970 -2.941 -5.138 1.00 11.25 O ATOM 693 CB LYS A 43 -12.618 -3.586 -1.790 1.00 23.21 C ATOM 694 CG LYS A 43 -11.759 -4.220 -0.698 1.00 32.34 C ATOM 695 CD LYS A 43 -12.589 -4.707 0.489 1.00 53.33 C ATOM 696 CE LYS A 43 -13.483 -5.887 0.114 1.00 54.10 C ATOM 697 NZ LYS A 43 -12.691 -7.028 -0.418 1.00 64.44 N ATOM 0 H LYS A 43 -10.877 -1.668 -1.914 1.00 41.52 H new ATOM 0 HA LYS A 43 -11.437 -4.075 -3.530 1.00 34.51 H new ATOM 0 HB2 LYS A 43 -13.117 -2.705 -1.385 1.00 23.21 H new ATOM 0 HB3 LYS A 43 -13.399 -4.288 -2.082 1.00 23.21 H new ATOM 0 HG2 LYS A 43 -11.204 -5.059 -1.118 1.00 32.34 H new ATOM 0 HG3 LYS A 43 -11.024 -3.494 -0.350 1.00 32.34 H new ATOM 0 HD2 LYS A 43 -11.924 -5.000 1.301 1.00 53.33 H new ATOM 0 HD3 LYS A 43 -13.205 -3.889 0.861 1.00 53.33 H new ATOM 0 HE2 LYS A 43 -14.045 -6.211 0.990 1.00 54.10 H new ATOM 0 HE3 LYS A 43 -14.211 -5.570 -0.632 1.00 54.10 H new ATOM 0 HZ1 LYS A 43 -13.268 -7.893 -0.391 1.00 64.44 H new ATOM 0 HZ2 LYS A 43 -12.411 -6.829 -1.400 1.00 64.44 H new ATOM 0 HZ3 LYS A 43 -11.840 -7.161 0.164 1.00 64.44 H new ATOM 711 N LYS A 44 -13.207 -1.271 -3.652 1.00 62.35 N ATOM 712 CA LYS A 44 -14.077 -0.466 -4.518 1.00 62.10 C ATOM 713 C LYS A 44 -13.229 0.421 -5.451 1.00 35.44 C ATOM 714 O LYS A 44 -12.581 1.367 -5.003 1.00 74.35 O ATOM 715 CB LYS A 44 -15.023 0.389 -3.648 1.00 45.41 C ATOM 716 CG LYS A 44 -16.300 0.862 -4.347 1.00 35.33 C ATOM 717 CD LYS A 44 -16.045 2.010 -5.321 1.00 4.22 C ATOM 718 CE LYS A 44 -15.554 3.274 -4.619 1.00 3.45 C ATOM 719 NZ LYS A 44 -15.419 4.418 -5.563 1.00 74.23 N ATOM 0 H LYS A 44 -13.018 -0.850 -2.742 1.00 62.35 H new ATOM 0 HA LYS A 44 -14.680 -1.127 -5.141 1.00 62.10 H new ATOM 0 HB2 LYS A 44 -15.303 -0.189 -2.767 1.00 45.41 H new ATOM 0 HB3 LYS A 44 -14.476 1.263 -3.295 1.00 45.41 H new ATOM 0 HG2 LYS A 44 -16.746 0.026 -4.885 1.00 35.33 H new ATOM 0 HG3 LYS A 44 -17.024 1.181 -3.597 1.00 35.33 H new ATOM 0 HD2 LYS A 44 -15.307 1.698 -6.060 1.00 4.22 H new ATOM 0 HD3 LYS A 44 -16.964 2.233 -5.863 1.00 4.22 H new ATOM 0 HE2 LYS A 44 -16.249 3.540 -3.823 1.00 3.45 H new ATOM 0 HE3 LYS A 44 -14.591 3.077 -4.148 1.00 3.45 H new ATOM 0 HZ1 LYS A 44 -14.745 5.109 -5.176 1.00 74.23 H new ATOM 0 HZ2 LYS A 44 -15.072 4.072 -6.480 1.00 74.23 H new ATOM 0 HZ3 LYS A 44 -16.345 4.873 -5.692 1.00 74.23 H new ATOM 733 N ASP A 45 -13.251 0.101 -6.747 1.00 11.33 N ATOM 734 CA ASP A 45 -12.417 0.773 -7.755 1.00 53.42 C ATOM 735 C ASP A 45 -10.915 0.625 -7.433 1.00 14.11 C ATOM 736 O ASP A 45 -10.264 1.575 -6.982 1.00 21.14 O ATOM 737 CB ASP A 45 -12.792 2.260 -7.890 1.00 64.22 C ATOM 738 CG ASP A 45 -14.249 2.483 -8.265 1.00 15.55 C ATOM 739 OD1 ASP A 45 -14.922 1.526 -8.698 1.00 45.12 O ATOM 740 OD2 ASP A 45 -14.732 3.629 -8.118 1.00 63.20 O ATOM 0 H ASP A 45 -13.847 -0.632 -7.131 1.00 11.33 H new ATOM 0 HA ASP A 45 -12.610 0.284 -8.710 1.00 53.42 H new ATOM 0 HB2 ASP A 45 -12.585 2.766 -6.947 1.00 64.22 H new ATOM 0 HB3 ASP A 45 -12.155 2.721 -8.645 1.00 64.22 H new ATOM 745 N PRO A 46 -10.348 -0.583 -7.644 1.00 34.20 N ATOM 746 CA PRO A 46 -8.922 -0.850 -7.390 1.00 31.21 C ATOM 747 C PRO A 46 -7.994 -0.051 -8.324 1.00 61.45 C ATOM 748 O PRO A 46 -7.880 -0.343 -9.519 1.00 72.22 O ATOM 749 CB PRO A 46 -8.786 -2.363 -7.640 1.00 15.00 C ATOM 750 CG PRO A 46 -9.932 -2.705 -8.533 1.00 42.01 C ATOM 751 CD PRO A 46 -11.054 -1.782 -8.135 1.00 63.54 C ATOM 0 HA PRO A 46 -8.626 -0.548 -6.385 1.00 31.21 H new ATOM 0 HB2 PRO A 46 -7.832 -2.602 -8.111 1.00 15.00 H new ATOM 0 HB3 PRO A 46 -8.830 -2.924 -6.707 1.00 15.00 H new ATOM 0 HG2 PRO A 46 -9.666 -2.567 -9.581 1.00 42.01 H new ATOM 0 HG3 PRO A 46 -10.223 -3.749 -8.413 1.00 42.01 H new ATOM 0 HD2 PRO A 46 -11.703 -1.549 -8.980 1.00 63.54 H new ATOM 0 HD3 PRO A 46 -11.683 -2.223 -7.362 1.00 63.54 H new ATOM 759 N SER A 47 -7.351 0.977 -7.770 1.00 34.43 N ATOM 760 CA SER A 47 -6.431 1.838 -8.524 1.00 21.21 C ATOM 761 C SER A 47 -5.497 2.601 -7.582 1.00 34.44 C ATOM 762 O SER A 47 -5.903 2.987 -6.483 1.00 25.25 O ATOM 763 CB SER A 47 -7.211 2.842 -9.381 1.00 51.35 C ATOM 764 OG SER A 47 -6.349 3.803 -9.968 1.00 14.43 O ATOM 0 H SER A 47 -7.451 1.238 -6.789 1.00 34.43 H new ATOM 0 HA SER A 47 -5.835 1.194 -9.171 1.00 21.21 H new ATOM 0 HB2 SER A 47 -7.752 2.311 -10.164 1.00 51.35 H new ATOM 0 HB3 SER A 47 -7.955 3.347 -8.765 1.00 51.35 H new ATOM 0 HG SER A 47 -6.828 4.283 -10.675 1.00 14.43 H new ATOM 770 N ILE A 48 -4.251 2.820 -8.009 1.00 63.53 N ATOM 771 CA ILE A 48 -3.280 3.572 -7.204 1.00 44.14 C ATOM 772 C ILE A 48 -3.840 4.943 -6.794 1.00 3.24 C ATOM 773 O ILE A 48 -3.847 5.291 -5.614 1.00 2.11 O ATOM 774 CB ILE A 48 -1.937 3.778 -7.959 1.00 42.21 C ATOM 775 CG1 ILE A 48 -1.293 2.428 -8.311 1.00 32.22 C ATOM 776 CG2 ILE A 48 -0.973 4.629 -7.129 1.00 61.42 C ATOM 777 CD1 ILE A 48 -0.890 1.597 -7.107 1.00 31.41 C ATOM 0 H ILE A 48 -3.890 2.490 -8.904 1.00 63.53 H new ATOM 0 HA ILE A 48 -3.092 2.975 -6.311 1.00 44.14 H new ATOM 0 HB ILE A 48 -2.152 4.307 -8.888 1.00 42.21 H new ATOM 0 HG12 ILE A 48 -1.992 1.852 -8.918 1.00 32.22 H new ATOM 0 HG13 ILE A 48 -0.411 2.608 -8.925 1.00 32.22 H new ATOM 0 HG21 ILE A 48 -0.040 4.760 -7.677 1.00 61.42 H new ATOM 0 HG22 ILE A 48 -1.421 5.604 -6.937 1.00 61.42 H new ATOM 0 HG23 ILE A 48 -0.770 4.130 -6.181 1.00 61.42 H new ATOM 0 HD11 ILE A 48 -0.444 0.661 -7.444 1.00 31.41 H new ATOM 0 HD12 ILE A 48 -0.165 2.150 -6.509 1.00 31.41 H new ATOM 0 HD13 ILE A 48 -1.771 1.382 -6.502 1.00 31.41 H new ATOM 789 N LYS A 49 -4.329 5.709 -7.772 1.00 55.41 N ATOM 790 CA LYS A 49 -4.876 7.049 -7.507 1.00 50.11 C ATOM 791 C LYS A 49 -6.104 6.974 -6.579 1.00 33.41 C ATOM 792 O LYS A 49 -6.290 7.818 -5.699 1.00 2.23 O ATOM 793 CB LYS A 49 -5.242 7.749 -8.826 1.00 41.23 C ATOM 794 CG LYS A 49 -6.426 7.121 -9.555 1.00 4.20 C ATOM 795 CD LYS A 49 -6.706 7.811 -10.888 1.00 12.21 C ATOM 796 CE LYS A 49 -5.640 7.496 -11.933 1.00 4.23 C ATOM 797 NZ LYS A 49 -5.957 8.102 -13.255 1.00 73.53 N ATOM 0 H LYS A 49 -4.359 5.429 -8.752 1.00 55.41 H new ATOM 0 HA LYS A 49 -4.107 7.633 -7.002 1.00 50.11 H new ATOM 0 HB2 LYS A 49 -5.469 8.795 -8.619 1.00 41.23 H new ATOM 0 HB3 LYS A 49 -4.374 7.736 -9.485 1.00 41.23 H new ATOM 0 HG2 LYS A 49 -6.226 6.064 -9.729 1.00 4.20 H new ATOM 0 HG3 LYS A 49 -7.313 7.178 -8.924 1.00 4.20 H new ATOM 0 HD2 LYS A 49 -7.681 7.497 -11.260 1.00 12.21 H new ATOM 0 HD3 LYS A 49 -6.755 8.889 -10.734 1.00 12.21 H new ATOM 0 HE2 LYS A 49 -4.674 7.865 -11.588 1.00 4.23 H new ATOM 0 HE3 LYS A 49 -5.548 6.415 -12.042 1.00 4.23 H new ATOM 0 HZ1 LYS A 49 -5.207 7.863 -13.935 1.00 73.53 H new ATOM 0 HZ2 LYS A 49 -6.866 7.731 -13.598 1.00 73.53 H new ATOM 0 HZ3 LYS A 49 -6.019 9.136 -13.157 1.00 73.53 H new ATOM 811 N SER A 50 -6.926 5.941 -6.779 1.00 32.13 N ATOM 812 CA SER A 50 -8.120 5.712 -5.951 1.00 12.42 C ATOM 813 C SER A 50 -7.741 5.475 -4.483 1.00 41.10 C ATOM 814 O SER A 50 -8.332 6.058 -3.572 1.00 12.31 O ATOM 815 CB SER A 50 -8.915 4.507 -6.486 1.00 23.13 C ATOM 816 OG SER A 50 -10.020 4.189 -5.652 1.00 11.20 O ATOM 0 H SER A 50 -6.788 5.244 -7.511 1.00 32.13 H new ATOM 0 HA SER A 50 -8.741 6.606 -6.004 1.00 12.42 H new ATOM 0 HB2 SER A 50 -9.271 4.725 -7.493 1.00 23.13 H new ATOM 0 HB3 SER A 50 -8.256 3.642 -6.561 1.00 23.13 H new ATOM 0 HG SER A 50 -10.343 3.289 -5.866 1.00 11.20 H new ATOM 822 N SER A 51 -6.744 4.621 -4.267 1.00 41.01 N ATOM 823 CA SER A 51 -6.257 4.314 -2.916 1.00 73.41 C ATOM 824 C SER A 51 -5.599 5.539 -2.264 1.00 75.14 C ATOM 825 O SER A 51 -5.863 5.856 -1.103 1.00 71.31 O ATOM 826 CB SER A 51 -5.260 3.149 -2.960 1.00 55.03 C ATOM 827 OG SER A 51 -4.768 2.842 -1.664 1.00 74.13 O ATOM 0 H SER A 51 -6.253 4.125 -5.011 1.00 41.01 H new ATOM 0 HA SER A 51 -7.118 4.029 -2.312 1.00 73.41 H new ATOM 0 HB2 SER A 51 -5.743 2.270 -3.386 1.00 55.03 H new ATOM 0 HB3 SER A 51 -4.428 3.404 -3.616 1.00 55.03 H new ATOM 0 HG SER A 51 -3.811 2.637 -1.717 1.00 74.13 H new ATOM 833 N LEU A 52 -4.754 6.244 -3.026 1.00 24.03 N ATOM 834 CA LEU A 52 -4.071 7.451 -2.530 1.00 3.24 C ATOM 835 C LEU A 52 -5.067 8.474 -1.965 1.00 11.05 C ATOM 836 O LEU A 52 -4.776 9.152 -0.981 1.00 22.34 O ATOM 837 CB LEU A 52 -3.230 8.101 -3.640 1.00 41.31 C ATOM 838 CG LEU A 52 -2.024 7.273 -4.123 1.00 13.24 C ATOM 839 CD1 LEU A 52 -1.279 8.000 -5.241 1.00 33.52 C ATOM 840 CD2 LEU A 52 -1.080 6.961 -2.960 1.00 3.10 C ATOM 0 H LEU A 52 -4.525 6.001 -3.990 1.00 24.03 H new ATOM 0 HA LEU A 52 -3.410 7.136 -1.722 1.00 3.24 H new ATOM 0 HB2 LEU A 52 -3.878 8.301 -4.494 1.00 41.31 H new ATOM 0 HB3 LEU A 52 -2.868 9.065 -3.282 1.00 41.31 H new ATOM 0 HG LEU A 52 -2.399 6.330 -4.521 1.00 13.24 H new ATOM 0 HD11 LEU A 52 -0.432 7.396 -5.566 1.00 33.52 H new ATOM 0 HD12 LEU A 52 -1.953 8.162 -6.082 1.00 33.52 H new ATOM 0 HD13 LEU A 52 -0.920 8.961 -4.874 1.00 33.52 H new ATOM 0 HD21 LEU A 52 -0.236 6.376 -3.324 1.00 3.10 H new ATOM 0 HD22 LEU A 52 -0.716 7.893 -2.527 1.00 3.10 H new ATOM 0 HD23 LEU A 52 -1.615 6.392 -2.200 1.00 3.10 H new ATOM 852 N LYS A 53 -6.245 8.581 -2.588 1.00 4.14 N ATOM 853 CA LYS A 53 -7.304 9.471 -2.094 1.00 64.43 C ATOM 854 C LYS A 53 -7.618 9.222 -0.608 1.00 75.23 C ATOM 855 O LYS A 53 -7.887 10.159 0.140 1.00 3.45 O ATOM 856 CB LYS A 53 -8.584 9.304 -2.927 1.00 45.05 C ATOM 857 CG LYS A 53 -8.525 9.965 -4.301 1.00 21.43 C ATOM 858 CD LYS A 53 -9.857 9.854 -5.043 1.00 61.25 C ATOM 859 CE LYS A 53 -11.024 10.386 -4.209 1.00 40.11 C ATOM 860 NZ LYS A 53 -10.806 11.789 -3.762 1.00 13.34 N ATOM 0 H LYS A 53 -6.490 8.065 -3.433 1.00 4.14 H new ATOM 0 HA LYS A 53 -6.936 10.492 -2.195 1.00 64.43 H new ATOM 0 HB2 LYS A 53 -8.784 8.240 -3.056 1.00 45.05 H new ATOM 0 HB3 LYS A 53 -9.423 9.721 -2.371 1.00 45.05 H new ATOM 0 HG2 LYS A 53 -8.259 11.016 -4.187 1.00 21.43 H new ATOM 0 HG3 LYS A 53 -7.738 9.499 -4.895 1.00 21.43 H new ATOM 0 HD2 LYS A 53 -9.798 10.409 -5.979 1.00 61.25 H new ATOM 0 HD3 LYS A 53 -10.042 8.811 -5.302 1.00 61.25 H new ATOM 0 HE2 LYS A 53 -11.941 10.332 -4.796 1.00 40.11 H new ATOM 0 HE3 LYS A 53 -11.166 9.747 -3.337 1.00 40.11 H new ATOM 0 HZ1 LYS A 53 -11.669 12.145 -3.304 1.00 13.34 H new ATOM 0 HZ2 LYS A 53 -10.017 11.819 -3.085 1.00 13.34 H new ATOM 0 HZ3 LYS A 53 -10.580 12.384 -4.584 1.00 13.34 H new ATOM 874 N PHE A 54 -7.582 7.961 -0.187 1.00 2.44 N ATOM 875 CA PHE A 54 -7.858 7.600 1.207 1.00 22.41 C ATOM 876 C PHE A 54 -6.571 7.625 2.050 1.00 53.33 C ATOM 877 O PHE A 54 -6.587 8.010 3.223 1.00 14.32 O ATOM 878 CB PHE A 54 -8.505 6.213 1.258 1.00 62.13 C ATOM 879 CG PHE A 54 -9.011 5.804 2.624 1.00 75.22 C ATOM 880 CD1 PHE A 54 -10.240 6.258 3.085 1.00 74.14 C ATOM 881 CD2 PHE A 54 -8.268 4.958 3.441 1.00 41.04 C ATOM 882 CE1 PHE A 54 -10.714 5.882 4.328 1.00 5.32 C ATOM 883 CE2 PHE A 54 -8.740 4.580 4.684 1.00 1.01 C ATOM 884 CZ PHE A 54 -9.964 5.043 5.129 1.00 71.40 C ATOM 0 H PHE A 54 -7.364 7.168 -0.790 1.00 2.44 H new ATOM 0 HA PHE A 54 -8.545 8.334 1.629 1.00 22.41 H new ATOM 0 HB2 PHE A 54 -9.337 6.189 0.554 1.00 62.13 H new ATOM 0 HB3 PHE A 54 -7.779 5.475 0.918 1.00 62.13 H new ATOM 0 HD1 PHE A 54 -10.833 6.913 2.464 1.00 74.14 H new ATOM 0 HD2 PHE A 54 -7.311 4.592 3.100 1.00 41.04 H new ATOM 0 HE1 PHE A 54 -11.671 6.244 4.673 1.00 5.32 H new ATOM 0 HE2 PHE A 54 -8.152 3.923 5.308 1.00 1.01 H new ATOM 0 HZ PHE A 54 -10.333 4.749 6.101 1.00 71.40 H new ATOM 894 N LEU A 55 -5.453 7.226 1.440 1.00 21.24 N ATOM 895 CA LEU A 55 -4.146 7.223 2.119 1.00 54.34 C ATOM 896 C LEU A 55 -3.649 8.651 2.420 1.00 74.02 C ATOM 897 O LEU A 55 -2.668 8.839 3.141 1.00 31.54 O ATOM 898 CB LEU A 55 -3.108 6.473 1.270 1.00 20.40 C ATOM 899 CG LEU A 55 -3.413 4.985 1.023 1.00 60.31 C ATOM 900 CD1 LEU A 55 -2.346 4.353 0.133 1.00 43.41 C ATOM 901 CD2 LEU A 55 -3.538 4.225 2.345 1.00 31.13 C ATOM 0 H LEU A 55 -5.422 6.899 0.474 1.00 21.24 H new ATOM 0 HA LEU A 55 -4.275 6.710 3.072 1.00 54.34 H new ATOM 0 HB2 LEU A 55 -3.021 6.974 0.306 1.00 20.40 H new ATOM 0 HB3 LEU A 55 -2.137 6.552 1.759 1.00 20.40 H new ATOM 0 HG LEU A 55 -4.370 4.919 0.505 1.00 60.31 H new ATOM 0 HD11 LEU A 55 -2.583 3.301 -0.028 1.00 43.41 H new ATOM 0 HD12 LEU A 55 -2.320 4.870 -0.826 1.00 43.41 H new ATOM 0 HD13 LEU A 55 -1.373 4.436 0.617 1.00 43.41 H new ATOM 0 HD21 LEU A 55 -3.754 3.176 2.143 1.00 31.13 H new ATOM 0 HD22 LEU A 55 -2.603 4.303 2.899 1.00 31.13 H new ATOM 0 HD23 LEU A 55 -4.347 4.654 2.936 1.00 31.13 H new ATOM 913 N ARG A 56 -4.312 9.652 1.845 1.00 3.01 N ATOM 914 CA ARG A 56 -4.020 11.060 2.149 1.00 21.30 C ATOM 915 C ARG A 56 -5.065 11.648 3.112 1.00 4.52 C ATOM 916 O ARG A 56 -5.160 12.866 3.289 1.00 13.12 O ATOM 917 CB ARG A 56 -3.962 11.875 0.851 1.00 64.04 C ATOM 918 CG ARG A 56 -2.825 11.440 -0.070 1.00 72.44 C ATOM 919 CD ARG A 56 -2.826 12.195 -1.392 1.00 63.41 C ATOM 920 NE ARG A 56 -1.699 11.808 -2.240 1.00 70.30 N ATOM 921 CZ ARG A 56 -1.554 12.176 -3.485 1.00 13.54 C ATOM 922 NH1 ARG A 56 -2.412 12.965 -4.046 1.00 72.23 N ATOM 923 NH2 ARG A 56 -0.532 11.770 -4.167 1.00 14.31 N ATOM 0 H ARG A 56 -5.059 9.518 1.163 1.00 3.01 H new ATOM 0 HA ARG A 56 -3.049 11.111 2.642 1.00 21.30 H new ATOM 0 HB2 ARG A 56 -4.910 11.776 0.322 1.00 64.04 H new ATOM 0 HB3 ARG A 56 -3.842 12.931 1.095 1.00 64.04 H new ATOM 0 HG2 ARG A 56 -1.872 11.598 0.435 1.00 72.44 H new ATOM 0 HG3 ARG A 56 -2.909 10.371 -0.265 1.00 72.44 H new ATOM 0 HD2 ARG A 56 -3.760 12.003 -1.919 1.00 63.41 H new ATOM 0 HD3 ARG A 56 -2.784 13.267 -1.198 1.00 63.41 H new ATOM 0 HE ARG A 56 -0.979 11.212 -1.832 1.00 70.30 H new ATOM 0 HH11 ARG A 56 -3.213 13.307 -3.515 1.00 72.23 H new ATOM 0 HH12 ARG A 56 -2.287 13.245 -5.019 1.00 72.23 H new ATOM 0 HH21 ARG A 56 0.162 11.162 -3.733 1.00 14.31 H new ATOM 0 HH22 ARG A 56 -0.420 12.058 -5.139 1.00 14.31 H new ATOM 937 N LYS A 57 -5.844 10.763 3.735 1.00 23.44 N ATOM 938 CA LYS A 57 -6.860 11.154 4.720 1.00 12.22 C ATOM 939 C LYS A 57 -6.658 10.402 6.046 1.00 25.20 C ATOM 940 O LYS A 57 -6.440 11.004 7.100 1.00 10.31 O ATOM 941 CB LYS A 57 -8.271 10.861 4.187 1.00 13.14 C ATOM 942 CG LYS A 57 -8.633 11.622 2.914 1.00 2.21 C ATOM 943 CD LYS A 57 -10.034 11.266 2.424 1.00 64.11 C ATOM 944 CE LYS A 57 -11.097 11.615 3.459 1.00 41.31 C ATOM 945 NZ LYS A 57 -12.456 11.216 3.014 1.00 24.32 N ATOM 0 H LYS A 57 -5.791 9.757 3.574 1.00 23.44 H new ATOM 0 HA LYS A 57 -6.753 12.224 4.896 1.00 12.22 H new ATOM 0 HB2 LYS A 57 -8.359 9.792 3.994 1.00 13.14 H new ATOM 0 HB3 LYS A 57 -8.997 11.106 4.962 1.00 13.14 H new ATOM 0 HG2 LYS A 57 -8.574 12.694 3.102 1.00 2.21 H new ATOM 0 HG3 LYS A 57 -7.906 11.395 2.135 1.00 2.21 H new ATOM 0 HD2 LYS A 57 -10.241 11.798 1.495 1.00 64.11 H new ATOM 0 HD3 LYS A 57 -10.081 10.201 2.198 1.00 64.11 H new ATOM 0 HE2 LYS A 57 -10.863 11.119 4.401 1.00 41.31 H new ATOM 0 HE3 LYS A 57 -11.078 12.688 3.651 1.00 41.31 H new ATOM 0 HZ1 LYS A 57 -13.150 11.471 3.746 1.00 24.32 H new ATOM 0 HZ2 LYS A 57 -12.690 11.709 2.129 1.00 24.32 H new ATOM 0 HZ3 LYS A 57 -12.482 10.188 2.855 1.00 24.32 H new ATOM 959 N THR A 58 -6.725 9.074 5.977 1.00 55.12 N ATOM 960 CA THR A 58 -6.654 8.224 7.172 1.00 42.31 C ATOM 961 C THR A 58 -5.223 7.733 7.463 1.00 54.13 C ATOM 962 O THR A 58 -4.562 7.143 6.607 1.00 40.42 O ATOM 963 CB THR A 58 -7.601 7.008 7.033 1.00 71.25 C ATOM 964 OG1 THR A 58 -8.970 7.448 7.034 1.00 32.43 O ATOM 965 CG2 THR A 58 -7.387 6.004 8.154 1.00 62.04 C ATOM 0 H THR A 58 -6.829 8.558 5.103 1.00 55.12 H new ATOM 0 HA THR A 58 -6.970 8.842 8.013 1.00 42.31 H new ATOM 0 HB THR A 58 -7.373 6.516 6.088 1.00 71.25 H new ATOM 0 HG1 THR A 58 -9.509 6.840 6.486 1.00 32.43 H new ATOM 0 HG21 THR A 58 -8.069 5.163 8.025 1.00 62.04 H new ATOM 0 HG22 THR A 58 -6.358 5.644 8.129 1.00 62.04 H new ATOM 0 HG23 THR A 58 -7.580 6.483 9.114 1.00 62.04 H new ATOM 973 N ASP A 59 -4.771 7.956 8.699 1.00 34.42 N ATOM 974 CA ASP A 59 -3.409 7.617 9.125 1.00 2.13 C ATOM 975 C ASP A 59 -3.223 6.106 9.354 1.00 2.10 C ATOM 976 O ASP A 59 -2.280 5.507 8.831 1.00 14.13 O ATOM 977 CB ASP A 59 -3.066 8.390 10.402 1.00 21.13 C ATOM 978 CG ASP A 59 -1.661 8.107 10.899 1.00 5.12 C ATOM 979 OD1 ASP A 59 -0.698 8.600 10.279 1.00 14.43 O ATOM 980 OD2 ASP A 59 -1.514 7.394 11.914 1.00 63.12 O ATOM 0 H ASP A 59 -5.339 8.377 9.434 1.00 34.42 H new ATOM 0 HA ASP A 59 -2.731 7.902 8.321 1.00 2.13 H new ATOM 0 HB2 ASP A 59 -3.172 9.458 10.214 1.00 21.13 H new ATOM 0 HB3 ASP A 59 -3.782 8.131 11.182 1.00 21.13 H new ATOM 985 N TRP A 60 -4.121 5.487 10.132 1.00 64.31 N ATOM 986 CA TRP A 60 -3.992 4.053 10.458 1.00 24.15 C ATOM 987 C TRP A 60 -4.012 3.171 9.198 1.00 64.23 C ATOM 988 O TRP A 60 -3.599 2.011 9.229 1.00 1.43 O ATOM 989 CB TRP A 60 -5.061 3.593 11.470 1.00 54.24 C ATOM 990 CG TRP A 60 -6.486 3.838 11.057 1.00 42.21 C ATOM 991 CD1 TRP A 60 -7.276 4.891 11.421 1.00 62.41 C ATOM 992 CD2 TRP A 60 -7.302 2.995 10.230 1.00 51.11 C ATOM 993 NE1 TRP A 60 -8.526 4.758 10.870 1.00 14.24 N ATOM 994 CE2 TRP A 60 -8.567 3.605 10.131 1.00 11.42 C ATOM 995 CE3 TRP A 60 -7.085 1.788 9.556 1.00 1.14 C ATOM 996 CZ2 TRP A 60 -9.608 3.050 9.393 1.00 45.14 C ATOM 997 CZ3 TRP A 60 -8.120 1.238 8.823 1.00 22.50 C ATOM 998 CH2 TRP A 60 -9.367 1.870 8.746 1.00 22.41 C ATOM 0 H TRP A 60 -4.934 5.945 10.544 1.00 64.31 H new ATOM 0 HA TRP A 60 -3.017 3.930 10.930 1.00 24.15 H new ATOM 0 HB2 TRP A 60 -4.931 2.526 11.651 1.00 54.24 H new ATOM 0 HB3 TRP A 60 -4.882 4.101 12.418 1.00 54.24 H new ATOM 0 HD1 TRP A 60 -6.962 5.710 12.051 1.00 62.41 H new ATOM 0 HE1 TRP A 60 -9.299 5.412 10.991 1.00 14.24 H new ATOM 0 HE3 TRP A 60 -6.126 1.295 9.608 1.00 1.14 H new ATOM 0 HZ2 TRP A 60 -10.572 3.534 9.333 1.00 45.14 H new ATOM 0 HZ3 TRP A 60 -7.964 0.305 8.301 1.00 22.50 H new ATOM 0 HH2 TRP A 60 -10.155 1.416 8.163 1.00 22.41 H new ATOM 1009 N ALA A 61 -4.484 3.732 8.090 1.00 32.12 N ATOM 1010 CA ALA A 61 -4.408 3.059 6.795 1.00 60.44 C ATOM 1011 C ALA A 61 -2.957 3.040 6.288 1.00 55.05 C ATOM 1012 O ALA A 61 -2.453 2.006 5.853 1.00 53.13 O ATOM 1013 CB ALA A 61 -5.318 3.750 5.784 1.00 61.44 C ATOM 0 H ALA A 61 -4.924 4.652 8.061 1.00 32.12 H new ATOM 0 HA ALA A 61 -4.746 2.030 6.916 1.00 60.44 H new ATOM 0 HB1 ALA A 61 -5.251 3.238 4.824 1.00 61.44 H new ATOM 0 HB2 ALA A 61 -6.348 3.719 6.141 1.00 61.44 H new ATOM 0 HB3 ALA A 61 -5.007 4.788 5.664 1.00 61.44 H new ATOM 1019 N ARG A 62 -2.284 4.192 6.381 1.00 23.31 N ATOM 1020 CA ARG A 62 -0.892 4.322 5.928 1.00 64.24 C ATOM 1021 C ARG A 62 0.064 3.411 6.713 1.00 64.21 C ATOM 1022 O ARG A 62 0.786 2.614 6.118 1.00 22.50 O ATOM 1023 CB ARG A 62 -0.405 5.775 6.041 1.00 4.11 C ATOM 1024 CG ARG A 62 -0.948 6.711 4.966 1.00 13.34 C ATOM 1025 CD ARG A 62 -0.153 8.009 4.912 1.00 1.33 C ATOM 1026 NE ARG A 62 1.278 7.750 4.717 1.00 34.54 N ATOM 1027 CZ ARG A 62 2.137 8.618 4.253 1.00 32.13 C ATOM 1028 NH1 ARG A 62 1.766 9.816 3.932 1.00 22.32 N ATOM 1029 NH2 ARG A 62 3.377 8.281 4.119 1.00 2.33 N ATOM 0 H ARG A 62 -2.680 5.049 6.766 1.00 23.31 H new ATOM 0 HA ARG A 62 -0.883 4.013 4.883 1.00 64.24 H new ATOM 0 HB2 ARG A 62 -0.687 6.164 7.019 1.00 4.11 H new ATOM 0 HB3 ARG A 62 0.684 5.784 5.996 1.00 4.11 H new ATOM 0 HG2 ARG A 62 -0.908 6.216 3.996 1.00 13.34 H new ATOM 0 HG3 ARG A 62 -1.996 6.932 5.168 1.00 13.34 H new ATOM 0 HD2 ARG A 62 -0.526 8.633 4.100 1.00 1.33 H new ATOM 0 HD3 ARG A 62 -0.301 8.567 5.836 1.00 1.33 H new ATOM 0 HE ARG A 62 1.628 6.824 4.962 1.00 34.54 H new ATOM 0 HH11 ARG A 62 0.791 10.094 4.040 1.00 22.32 H new ATOM 0 HH12 ARG A 62 2.449 10.482 3.571 1.00 22.32 H new ATOM 0 HH21 ARG A 62 3.681 7.341 4.375 1.00 2.33 H new ATOM 0 HH22 ARG A 62 4.052 8.954 3.757 1.00 2.33 H new ATOM 1043 N GLU A 63 0.055 3.527 8.047 1.00 51.42 N ATOM 1044 CA GLU A 63 1.005 2.785 8.899 1.00 23.41 C ATOM 1045 C GLU A 63 1.067 1.294 8.531 1.00 1.41 C ATOM 1046 O GLU A 63 2.145 0.709 8.452 1.00 21.41 O ATOM 1047 CB GLU A 63 0.640 2.942 10.388 1.00 33.45 C ATOM 1048 CG GLU A 63 -0.738 2.400 10.751 1.00 2.53 C ATOM 1049 CD GLU A 63 -0.959 2.303 12.254 1.00 43.54 C ATOM 1050 OE1 GLU A 63 -0.636 1.245 12.836 1.00 32.25 O ATOM 1051 OE2 GLU A 63 -1.456 3.273 12.857 1.00 2.05 O ATOM 0 H GLU A 63 -0.594 4.123 8.561 1.00 51.42 H new ATOM 0 HA GLU A 63 1.991 3.214 8.723 1.00 23.41 H new ATOM 0 HB2 GLU A 63 1.390 2.430 10.991 1.00 33.45 H new ATOM 0 HB3 GLU A 63 0.684 3.998 10.653 1.00 33.45 H new ATOM 0 HG2 GLU A 63 -1.502 3.045 10.317 1.00 2.53 H new ATOM 0 HG3 GLU A 63 -0.864 1.413 10.306 1.00 2.53 H new ATOM 1058 N ARG A 64 -0.094 0.692 8.278 1.00 34.34 N ATOM 1059 CA ARG A 64 -0.177 -0.736 7.958 1.00 35.12 C ATOM 1060 C ARG A 64 0.335 -1.029 6.534 1.00 1.53 C ATOM 1061 O ARG A 64 1.099 -1.972 6.323 1.00 4.23 O ATOM 1062 CB ARG A 64 -1.624 -1.217 8.119 1.00 31.41 C ATOM 1063 CG ARG A 64 -2.195 -0.948 9.509 1.00 43.21 C ATOM 1064 CD ARG A 64 -3.658 -1.363 9.626 1.00 61.04 C ATOM 1065 NE ARG A 64 -4.229 -1.009 10.930 1.00 44.32 N ATOM 1066 CZ ARG A 64 -5.512 -0.938 11.174 1.00 40.43 C ATOM 1067 NH1 ARG A 64 -6.373 -1.210 10.247 1.00 25.34 N ATOM 1068 NH2 ARG A 64 -5.932 -0.600 12.352 1.00 21.10 N ATOM 0 H ARG A 64 -0.994 1.171 8.288 1.00 34.34 H new ATOM 0 HA ARG A 64 0.464 -1.280 8.652 1.00 35.12 H new ATOM 0 HB2 ARG A 64 -2.249 -0.724 7.375 1.00 31.41 H new ATOM 0 HB3 ARG A 64 -1.669 -2.287 7.915 1.00 31.41 H new ATOM 0 HG2 ARG A 64 -1.607 -1.487 10.251 1.00 43.21 H new ATOM 0 HG3 ARG A 64 -2.102 0.114 9.738 1.00 43.21 H new ATOM 0 HD2 ARG A 64 -4.235 -0.883 8.836 1.00 61.04 H new ATOM 0 HD3 ARG A 64 -3.743 -2.439 9.474 1.00 61.04 H new ATOM 0 HE ARG A 64 -3.585 -0.805 11.694 1.00 44.32 H new ATOM 0 HH11 ARG A 64 -6.053 -1.482 9.318 1.00 25.34 H new ATOM 0 HH12 ARG A 64 -7.372 -1.152 10.446 1.00 25.34 H new ATOM 0 HH21 ARG A 64 -5.262 -0.389 13.091 1.00 21.10 H new ATOM 0 HH22 ARG A 64 -6.933 -0.545 12.540 1.00 21.10 H new ATOM 1082 N VAL A 65 -0.076 -0.206 5.568 1.00 24.44 N ATOM 1083 CA VAL A 65 0.358 -0.365 4.171 1.00 4.51 C ATOM 1084 C VAL A 65 1.882 -0.182 4.030 1.00 25.51 C ATOM 1085 O VAL A 65 2.578 -1.026 3.456 1.00 12.32 O ATOM 1086 CB VAL A 65 -0.376 0.639 3.241 1.00 73.52 C ATOM 1087 CG1 VAL A 65 0.134 0.532 1.804 1.00 61.22 C ATOM 1088 CG2 VAL A 65 -1.886 0.412 3.294 1.00 34.44 C ATOM 0 H VAL A 65 -0.709 0.579 5.723 1.00 24.44 H new ATOM 0 HA VAL A 65 0.101 -1.381 3.870 1.00 4.51 H new ATOM 0 HB VAL A 65 -0.164 1.647 3.598 1.00 73.52 H new ATOM 0 HG11 VAL A 65 -0.397 1.246 1.175 1.00 61.22 H new ATOM 0 HG12 VAL A 65 1.201 0.751 1.780 1.00 61.22 H new ATOM 0 HG13 VAL A 65 -0.038 -0.478 1.431 1.00 61.22 H new ATOM 0 HG21 VAL A 65 -2.384 1.124 2.636 1.00 34.44 H new ATOM 0 HG22 VAL A 65 -2.113 -0.603 2.968 1.00 34.44 H new ATOM 0 HG23 VAL A 65 -2.239 0.553 4.315 1.00 34.44 H new ATOM 1098 N GLU A 66 2.395 0.923 4.568 1.00 22.20 N ATOM 1099 CA GLU A 66 3.832 1.209 4.531 1.00 53.31 C ATOM 1100 C GLU A 66 4.636 0.154 5.318 1.00 72.44 C ATOM 1101 O GLU A 66 5.787 -0.137 4.987 1.00 23.04 O ATOM 1102 CB GLU A 66 4.102 2.622 5.074 1.00 41.51 C ATOM 1103 CG GLU A 66 3.377 3.719 4.290 1.00 35.10 C ATOM 1104 CD GLU A 66 3.654 5.122 4.817 1.00 41.35 C ATOM 1105 OE1 GLU A 66 2.908 5.595 5.699 1.00 21.21 O ATOM 1106 OE2 GLU A 66 4.609 5.770 4.337 1.00 44.55 O ATOM 0 H GLU A 66 1.837 1.637 5.036 1.00 22.20 H new ATOM 0 HA GLU A 66 4.163 1.163 3.494 1.00 53.31 H new ATOM 0 HB2 GLU A 66 3.794 2.667 6.119 1.00 41.51 H new ATOM 0 HB3 GLU A 66 5.174 2.815 5.049 1.00 41.51 H new ATOM 0 HG2 GLU A 66 3.677 3.666 3.243 1.00 35.10 H new ATOM 0 HG3 GLU A 66 2.304 3.531 4.324 1.00 35.10 H new ATOM 1113 N ASN A 67 4.018 -0.423 6.353 1.00 35.13 N ATOM 1114 CA ASN A 67 4.626 -1.532 7.103 1.00 64.24 C ATOM 1115 C ASN A 67 4.798 -2.770 6.204 1.00 53.54 C ATOM 1116 O ASN A 67 5.819 -3.458 6.260 1.00 34.44 O ATOM 1117 CB ASN A 67 3.768 -1.876 8.327 1.00 42.32 C ATOM 1118 CG ASN A 67 4.363 -2.990 9.174 1.00 52.45 C ATOM 1119 OD1 ASN A 67 5.576 -3.158 9.247 1.00 2.13 O ATOM 1120 ND2 ASN A 67 3.513 -3.761 9.823 1.00 12.12 N ATOM 0 H ASN A 67 3.098 -0.143 6.692 1.00 35.13 H new ATOM 0 HA ASN A 67 5.613 -1.218 7.442 1.00 64.24 H new ATOM 0 HB2 ASN A 67 3.647 -0.984 8.942 1.00 42.32 H new ATOM 0 HB3 ASN A 67 2.773 -2.171 7.995 1.00 42.32 H new ATOM 0 HD21 ASN A 67 3.859 -4.523 10.406 1.00 12.12 H new ATOM 0 HD22 ASN A 67 2.510 -3.595 9.742 1.00 12.12 H new ATOM 1127 N ILE A 68 3.792 -3.045 5.368 1.00 51.45 N ATOM 1128 CA ILE A 68 3.884 -4.129 4.376 1.00 65.00 C ATOM 1129 C ILE A 68 5.097 -3.917 3.452 1.00 72.05 C ATOM 1130 O ILE A 68 5.776 -4.871 3.060 1.00 20.35 O ATOM 1131 CB ILE A 68 2.595 -4.225 3.517 1.00 25.21 C ATOM 1132 CG1 ILE A 68 1.367 -4.475 4.408 1.00 10.52 C ATOM 1133 CG2 ILE A 68 2.724 -5.325 2.459 1.00 42.13 C ATOM 1134 CD1 ILE A 68 0.054 -4.487 3.651 1.00 74.42 C ATOM 0 H ILE A 68 2.908 -2.537 5.355 1.00 51.45 H new ATOM 0 HA ILE A 68 4.005 -5.062 4.927 1.00 65.00 H new ATOM 0 HB ILE A 68 2.460 -3.273 3.003 1.00 25.21 H new ATOM 0 HG12 ILE A 68 1.489 -5.430 4.920 1.00 10.52 H new ATOM 0 HG13 ILE A 68 1.325 -3.704 5.177 1.00 10.52 H new ATOM 0 HG21 ILE A 68 1.808 -5.373 1.870 1.00 42.13 H new ATOM 0 HG22 ILE A 68 3.566 -5.102 1.803 1.00 42.13 H new ATOM 0 HG23 ILE A 68 2.890 -6.284 2.950 1.00 42.13 H new ATOM 0 HD11 ILE A 68 -0.765 -4.669 4.347 1.00 74.42 H new ATOM 0 HD12 ILE A 68 -0.093 -3.524 3.161 1.00 74.42 H new ATOM 0 HD13 ILE A 68 0.074 -5.277 2.900 1.00 74.42 H new ATOM 1146 N TYR A 69 5.351 -2.654 3.101 1.00 65.24 N ATOM 1147 CA TYR A 69 6.538 -2.279 2.319 1.00 34.05 C ATOM 1148 C TYR A 69 7.837 -2.583 3.088 1.00 22.31 C ATOM 1149 O TYR A 69 8.780 -3.156 2.531 1.00 74.42 O ATOM 1150 CB TYR A 69 6.477 -0.793 1.942 1.00 44.13 C ATOM 1151 CG TYR A 69 7.756 -0.269 1.314 1.00 44.43 C ATOM 1152 CD1 TYR A 69 8.098 -0.593 0.005 1.00 4.34 C ATOM 1153 CD2 TYR A 69 8.628 0.537 2.038 1.00 2.34 C ATOM 1154 CE1 TYR A 69 9.267 -0.125 -0.563 1.00 24.44 C ATOM 1155 CE2 TYR A 69 9.799 1.008 1.477 1.00 14.42 C ATOM 1156 CZ TYR A 69 10.116 0.673 0.177 1.00 71.35 C ATOM 1157 OH TYR A 69 11.285 1.131 -0.384 1.00 65.05 O ATOM 0 H TYR A 69 4.749 -1.868 3.346 1.00 65.24 H new ATOM 0 HA TYR A 69 6.542 -2.877 1.408 1.00 34.05 H new ATOM 0 HB2 TYR A 69 5.652 -0.637 1.247 1.00 44.13 H new ATOM 0 HB3 TYR A 69 6.256 -0.209 2.836 1.00 44.13 H new ATOM 0 HD1 TYR A 69 7.439 -1.221 -0.577 1.00 4.34 H new ATOM 0 HD2 TYR A 69 8.385 0.799 3.057 1.00 2.34 H new ATOM 0 HE1 TYR A 69 9.516 -0.382 -1.582 1.00 24.44 H new ATOM 0 HE2 TYR A 69 10.463 1.635 2.053 1.00 14.42 H new ATOM 0 HH TYR A 69 11.721 1.756 0.232 1.00 65.05 H new ATOM 1167 N LEU A 70 7.889 -2.189 4.362 1.00 53.51 N ATOM 1168 CA LEU A 70 9.052 -2.475 5.213 1.00 11.22 C ATOM 1169 C LEU A 70 9.346 -3.986 5.247 1.00 21.34 C ATOM 1170 O LEU A 70 10.488 -4.418 5.057 1.00 12.43 O ATOM 1171 CB LEU A 70 8.809 -1.959 6.640 1.00 1.02 C ATOM 1172 CG LEU A 70 8.555 -0.444 6.765 1.00 24.23 C ATOM 1173 CD1 LEU A 70 8.259 -0.060 8.214 1.00 54.42 C ATOM 1174 CD2 LEU A 70 9.743 0.350 6.225 1.00 20.51 C ATOM 0 H LEU A 70 7.143 -1.673 4.828 1.00 53.51 H new ATOM 0 HA LEU A 70 9.916 -1.962 4.790 1.00 11.22 H new ATOM 0 HB2 LEU A 70 7.953 -2.489 7.058 1.00 1.02 H new ATOM 0 HB3 LEU A 70 9.673 -2.216 7.252 1.00 1.02 H new ATOM 0 HG LEU A 70 7.680 -0.196 6.165 1.00 24.23 H new ATOM 0 HD11 LEU A 70 8.083 1.014 8.277 1.00 54.42 H new ATOM 0 HD12 LEU A 70 7.373 -0.594 8.558 1.00 54.42 H new ATOM 0 HD13 LEU A 70 9.109 -0.326 8.842 1.00 54.42 H new ATOM 0 HD21 LEU A 70 9.542 1.417 6.323 1.00 20.51 H new ATOM 0 HD22 LEU A 70 10.639 0.096 6.792 1.00 20.51 H new ATOM 0 HD23 LEU A 70 9.897 0.105 5.174 1.00 20.51 H new ATOM 1186 N LYS A 71 8.302 -4.779 5.484 1.00 43.14 N ATOM 1187 CA LYS A 71 8.403 -6.242 5.444 1.00 4.50 C ATOM 1188 C LYS A 71 8.963 -6.718 4.095 1.00 42.41 C ATOM 1189 O LYS A 71 9.877 -7.546 4.041 1.00 61.54 O ATOM 1190 CB LYS A 71 7.020 -6.863 5.678 1.00 71.44 C ATOM 1191 CG LYS A 71 7.010 -8.388 5.637 1.00 74.04 C ATOM 1192 CD LYS A 71 5.593 -8.950 5.720 1.00 63.33 C ATOM 1193 CE LYS A 71 5.589 -10.476 5.690 1.00 74.43 C ATOM 1194 NZ LYS A 71 4.212 -11.035 5.714 1.00 3.11 N ATOM 0 H LYS A 71 7.369 -4.432 5.707 1.00 43.14 H new ATOM 0 HA LYS A 71 9.086 -6.561 6.231 1.00 4.50 H new ATOM 0 HB2 LYS A 71 6.644 -6.533 6.647 1.00 71.44 H new ATOM 0 HB3 LYS A 71 6.331 -6.485 4.923 1.00 71.44 H new ATOM 0 HG2 LYS A 71 7.483 -8.730 4.716 1.00 74.04 H new ATOM 0 HG3 LYS A 71 7.604 -8.777 6.464 1.00 74.04 H new ATOM 0 HD2 LYS A 71 5.117 -8.603 6.637 1.00 63.33 H new ATOM 0 HD3 LYS A 71 5.001 -8.568 4.889 1.00 63.33 H new ATOM 0 HE2 LYS A 71 6.104 -10.821 4.793 1.00 74.43 H new ATOM 0 HE3 LYS A 71 6.148 -10.856 6.545 1.00 74.43 H new ATOM 0 HZ1 LYS A 71 4.259 -12.074 5.692 1.00 3.11 H new ATOM 0 HZ2 LYS A 71 3.728 -10.728 6.582 1.00 3.11 H new ATOM 0 HZ3 LYS A 71 3.685 -10.695 4.885 1.00 3.11 H new ATOM 1208 N LEU A 72 8.408 -6.173 3.011 1.00 73.13 N ATOM 1209 CA LEU A 72 8.825 -6.522 1.646 1.00 25.03 C ATOM 1210 C LEU A 72 10.330 -6.309 1.440 1.00 72.25 C ATOM 1211 O LEU A 72 11.023 -7.183 0.922 1.00 34.22 O ATOM 1212 CB LEU A 72 8.041 -5.684 0.625 1.00 44.52 C ATOM 1213 CG LEU A 72 8.337 -5.993 -0.857 1.00 1.40 C ATOM 1214 CD1 LEU A 72 7.978 -7.438 -1.200 1.00 72.33 C ATOM 1215 CD2 LEU A 72 7.595 -5.015 -1.767 1.00 11.33 C ATOM 0 H LEU A 72 7.660 -5.480 3.051 1.00 73.13 H new ATOM 0 HA LEU A 72 8.610 -7.580 1.497 1.00 25.03 H new ATOM 0 HB2 LEU A 72 6.976 -5.831 0.803 1.00 44.52 H new ATOM 0 HB3 LEU A 72 8.252 -4.630 0.807 1.00 44.52 H new ATOM 0 HG LEU A 72 9.407 -5.869 -1.022 1.00 1.40 H new ATOM 0 HD11 LEU A 72 8.197 -7.628 -2.251 1.00 72.33 H new ATOM 0 HD12 LEU A 72 8.564 -8.116 -0.579 1.00 72.33 H new ATOM 0 HD13 LEU A 72 6.917 -7.603 -1.015 1.00 72.33 H new ATOM 0 HD21 LEU A 72 7.816 -5.248 -2.809 1.00 11.33 H new ATOM 0 HD22 LEU A 72 6.522 -5.101 -1.595 1.00 11.33 H new ATOM 0 HD23 LEU A 72 7.917 -3.997 -1.547 1.00 11.33 H new ATOM 1227 N GLN A 73 10.836 -5.152 1.856 1.00 55.14 N ATOM 1228 CA GLN A 73 12.243 -4.807 1.631 1.00 43.25 C ATOM 1229 C GLN A 73 13.212 -5.688 2.440 1.00 13.32 C ATOM 1230 O GLN A 73 14.332 -5.941 1.994 1.00 15.14 O ATOM 1231 CB GLN A 73 12.488 -3.318 1.919 1.00 64.34 C ATOM 1232 CG GLN A 73 11.807 -2.379 0.918 1.00 71.40 C ATOM 1233 CD GLN A 73 12.330 -2.535 -0.511 1.00 41.14 C ATOM 1234 OE1 GLN A 73 12.761 -3.605 -0.924 1.00 52.33 O ATOM 1235 NE2 GLN A 73 12.289 -1.470 -1.283 1.00 50.22 N ATOM 0 H GLN A 73 10.299 -4.438 2.349 1.00 55.14 H new ATOM 0 HA GLN A 73 12.450 -5.003 0.579 1.00 43.25 H new ATOM 0 HB2 GLN A 73 12.130 -3.087 2.922 1.00 64.34 H new ATOM 0 HB3 GLN A 73 13.561 -3.127 1.911 1.00 64.34 H new ATOM 0 HG2 GLN A 73 10.733 -2.567 0.927 1.00 71.40 H new ATOM 0 HG3 GLN A 73 11.953 -1.348 1.240 1.00 71.40 H new ATOM 0 HE21 GLN A 73 11.926 -0.589 -0.918 1.00 50.22 H new ATOM 0 HE22 GLN A 73 12.620 -1.525 -2.246 1.00 50.22 H new