USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=17 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 41 CYS SG : rot -108:sc= -4.24! USER MOD Set 1.2: A 51 SER OG : rot 80:sc= -0.196 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.00221 USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 19 LYS NZ :NH3+ -159:sc= 1.19 (180deg=0.824) USER MOD Single : A 22 THR OG1 : rot 67:sc= 0.734 USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 28 TYR OH : rot 60:sc= 0.0385 USER MOD Single : A 34 SER OG : rot 70:sc= -1.33! USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 147:sc= -0.578 (180deg=-1.05) USER MOD Single : A 38 ASN : amide:sc= -0.127 X(o=-0.13,f=0) USER MOD Single : A 40 ASN : amide:sc= 0.12 X(o=0.12,f=-0.012) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 171:sc= -0.0031 (180deg=-0.114) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot -166:sc= 1.08 USER MOD Single : A 53 LYS NZ :NH3+ 179:sc= -1.68! (180deg=-1.83!) USER MOD Single : A 57 LYS NZ :NH3+ 146:sc= -1.57 (180deg=-3.35!) USER MOD Single : A 58 THR OG1 : rot 169:sc= 0.893 USER MOD Single : A 67 ASN : amide:sc=-0.000337 K(o=-0.00034,f=-0.79) USER MOD Single : A 69 TYR OH : rot 30:sc= -0.17 USER MOD Single : A 71 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.024) USER MOD Single : A 73 GLN : amide:sc= -0.126 X(o=-0.13,f=-0.46) USER MOD ----------------------------------------------------------------- ATOM 219 N ILE A 15 11.352 6.862 -0.908 1.00 41.11 N ATOM 220 CA ILE A 15 10.339 6.665 -1.953 1.00 33.40 C ATOM 221 C ILE A 15 8.960 7.220 -1.535 1.00 75.32 C ATOM 222 O ILE A 15 8.580 7.156 -0.365 1.00 61.51 O ATOM 223 CB ILE A 15 10.206 5.161 -2.307 1.00 44.53 C ATOM 224 CG1 ILE A 15 11.572 4.594 -2.745 1.00 23.33 C ATOM 225 CG2 ILE A 15 9.160 4.946 -3.400 1.00 23.31 C ATOM 226 CD1 ILE A 15 11.545 3.119 -3.090 1.00 71.11 C ATOM 0 HA ILE A 15 10.675 7.219 -2.830 1.00 33.40 H new ATOM 0 HB ILE A 15 9.875 4.628 -1.416 1.00 44.53 H new ATOM 0 HG12 ILE A 15 11.925 5.153 -3.612 1.00 23.33 H new ATOM 0 HG13 ILE A 15 12.295 4.756 -1.945 1.00 23.33 H new ATOM 0 HG21 ILE A 15 9.087 3.883 -3.629 1.00 23.31 H new ATOM 0 HG22 ILE A 15 8.193 5.310 -3.054 1.00 23.31 H new ATOM 0 HG23 ILE A 15 9.454 5.491 -4.297 1.00 23.31 H new ATOM 0 HD11 ILE A 15 12.543 2.797 -3.388 1.00 71.11 H new ATOM 0 HD12 ILE A 15 11.224 2.547 -2.219 1.00 71.11 H new ATOM 0 HD13 ILE A 15 10.849 2.950 -3.911 1.00 71.11 H new ATOM 238 N THR A 16 8.222 7.771 -2.502 1.00 1.10 N ATOM 239 CA THR A 16 6.887 8.333 -2.241 1.00 32.30 C ATOM 240 C THR A 16 5.851 7.243 -1.934 1.00 64.12 C ATOM 241 O THR A 16 5.985 6.101 -2.379 1.00 41.33 O ATOM 242 CB THR A 16 6.364 9.157 -3.445 1.00 43.42 C ATOM 243 OG1 THR A 16 6.176 8.303 -4.588 1.00 1.33 O ATOM 244 CG2 THR A 16 7.329 10.279 -3.806 1.00 72.11 C ATOM 0 H THR A 16 8.523 7.842 -3.474 1.00 1.10 H new ATOM 0 HA THR A 16 7.009 8.979 -1.372 1.00 32.30 H new ATOM 0 HB THR A 16 5.410 9.598 -3.156 1.00 43.42 H new ATOM 0 HG1 THR A 16 5.844 8.834 -5.342 1.00 1.33 H new ATOM 0 HG21 THR A 16 6.935 10.839 -4.654 1.00 72.11 H new ATOM 0 HG22 THR A 16 7.446 10.947 -2.953 1.00 72.11 H new ATOM 0 HG23 THR A 16 8.298 9.855 -4.070 1.00 72.11 H new ATOM 252 N LEU A 17 4.807 7.615 -1.188 1.00 43.30 N ATOM 253 CA LEU A 17 3.705 6.698 -0.860 1.00 41.14 C ATOM 254 C LEU A 17 3.074 6.106 -2.133 1.00 41.20 C ATOM 255 O LEU A 17 2.656 4.946 -2.153 1.00 22.42 O ATOM 256 CB LEU A 17 2.633 7.442 -0.044 1.00 45.42 C ATOM 257 CG LEU A 17 1.398 6.610 0.360 1.00 32.14 C ATOM 258 CD1 LEU A 17 1.795 5.458 1.277 1.00 43.04 C ATOM 259 CD2 LEU A 17 0.345 7.493 1.032 1.00 20.31 C ATOM 0 H LEU A 17 4.699 8.551 -0.796 1.00 43.30 H new ATOM 0 HA LEU A 17 4.111 5.877 -0.269 1.00 41.14 H new ATOM 0 HB2 LEU A 17 3.098 7.830 0.862 1.00 45.42 H new ATOM 0 HB3 LEU A 17 2.295 8.302 -0.623 1.00 45.42 H new ATOM 0 HG LEU A 17 0.964 6.189 -0.547 1.00 32.14 H new ATOM 0 HD11 LEU A 17 0.907 4.886 1.548 1.00 43.04 H new ATOM 0 HD12 LEU A 17 2.501 4.808 0.760 1.00 43.04 H new ATOM 0 HD13 LEU A 17 2.260 5.855 2.179 1.00 43.04 H new ATOM 0 HD21 LEU A 17 -0.517 6.885 1.308 1.00 20.31 H new ATOM 0 HD22 LEU A 17 0.769 7.949 1.927 1.00 20.31 H new ATOM 0 HD23 LEU A 17 0.031 8.275 0.341 1.00 20.31 H new ATOM 271 N GLN A 18 3.015 6.916 -3.193 1.00 15.53 N ATOM 272 CA GLN A 18 2.452 6.485 -4.477 1.00 13.44 C ATOM 273 C GLN A 18 3.204 5.272 -5.047 1.00 62.22 C ATOM 274 O GLN A 18 2.612 4.219 -5.295 1.00 62.24 O ATOM 275 CB GLN A 18 2.496 7.640 -5.490 1.00 13.25 C ATOM 276 CG GLN A 18 1.859 7.301 -6.837 1.00 1.23 C ATOM 277 CD GLN A 18 2.000 8.419 -7.856 1.00 72.12 C ATOM 278 OE1 GLN A 18 2.974 9.167 -7.854 1.00 11.34 O ATOM 279 NE2 GLN A 18 1.024 8.550 -8.731 1.00 50.44 N ATOM 0 H GLN A 18 3.352 7.879 -3.188 1.00 15.53 H new ATOM 0 HA GLN A 18 1.417 6.191 -4.300 1.00 13.44 H new ATOM 0 HB2 GLN A 18 1.986 8.504 -5.064 1.00 13.25 H new ATOM 0 HB3 GLN A 18 3.534 7.930 -5.652 1.00 13.25 H new ATOM 0 HG2 GLN A 18 2.319 6.395 -7.233 1.00 1.23 H new ATOM 0 HG3 GLN A 18 0.801 7.083 -6.688 1.00 1.23 H new ATOM 0 HE21 GLN A 18 0.228 7.912 -8.707 1.00 50.44 H new ATOM 0 HE22 GLN A 18 1.064 9.289 -9.433 1.00 50.44 H new ATOM 288 N LYS A 19 4.515 5.420 -5.253 1.00 75.53 N ATOM 289 CA LYS A 19 5.324 4.329 -5.810 1.00 30.30 C ATOM 290 C LYS A 19 5.469 3.183 -4.798 1.00 50.14 C ATOM 291 O LYS A 19 5.531 2.018 -5.178 1.00 63.04 O ATOM 292 CB LYS A 19 6.700 4.830 -6.258 1.00 51.31 C ATOM 293 CG LYS A 19 7.470 3.807 -7.094 1.00 41.42 C ATOM 294 CD LYS A 19 8.741 4.396 -7.694 1.00 1.23 C ATOM 295 CE LYS A 19 9.452 3.402 -8.610 1.00 15.42 C ATOM 296 NZ LYS A 19 9.851 2.161 -7.894 1.00 30.42 N ATOM 0 H LYS A 19 5.035 6.273 -5.046 1.00 75.53 H new ATOM 0 HA LYS A 19 4.804 3.947 -6.688 1.00 30.30 H new ATOM 0 HB2 LYS A 19 6.575 5.744 -6.838 1.00 51.31 H new ATOM 0 HB3 LYS A 19 7.290 5.089 -5.378 1.00 51.31 H new ATOM 0 HG2 LYS A 19 7.727 2.950 -6.471 1.00 41.42 H new ATOM 0 HG3 LYS A 19 6.829 3.438 -7.895 1.00 41.42 H new ATOM 0 HD2 LYS A 19 8.493 5.296 -8.257 1.00 1.23 H new ATOM 0 HD3 LYS A 19 9.415 4.697 -6.892 1.00 1.23 H new ATOM 0 HE2 LYS A 19 8.796 3.144 -9.442 1.00 15.42 H new ATOM 0 HE3 LYS A 19 10.337 3.873 -9.037 1.00 15.42 H new ATOM 0 HZ1 LYS A 19 10.613 1.687 -8.419 1.00 30.42 H new ATOM 0 HZ2 LYS A 19 10.187 2.403 -6.940 1.00 30.42 H new ATOM 0 HZ3 LYS A 19 9.032 1.524 -7.821 1.00 30.42 H new ATOM 310 N LEU A 20 5.501 3.524 -3.508 1.00 4.32 N ATOM 311 CA LEU A 20 5.517 2.519 -2.434 1.00 44.04 C ATOM 312 C LEU A 20 4.329 1.552 -2.587 1.00 52.23 C ATOM 313 O LEU A 20 4.502 0.330 -2.612 1.00 45.23 O ATOM 314 CB LEU A 20 5.484 3.227 -1.061 1.00 74.34 C ATOM 315 CG LEU A 20 5.608 2.326 0.190 1.00 1.23 C ATOM 316 CD1 LEU A 20 6.120 3.131 1.384 1.00 2.41 C ATOM 317 CD2 LEU A 20 4.271 1.671 0.550 1.00 3.44 C ATOM 0 H LEU A 20 5.516 4.489 -3.178 1.00 4.32 H new ATOM 0 HA LEU A 20 6.434 1.934 -2.501 1.00 44.04 H new ATOM 0 HB2 LEU A 20 6.293 3.957 -1.036 1.00 74.34 H new ATOM 0 HB3 LEU A 20 4.550 3.784 -0.988 1.00 74.34 H new ATOM 0 HG LEU A 20 6.322 1.538 -0.050 1.00 1.23 H new ATOM 0 HD11 LEU A 20 6.200 2.480 2.254 1.00 2.41 H new ATOM 0 HD12 LEU A 20 7.100 3.546 1.150 1.00 2.41 H new ATOM 0 HD13 LEU A 20 5.425 3.942 1.601 1.00 2.41 H new ATOM 0 HD21 LEU A 20 4.398 1.046 1.434 1.00 3.44 H new ATOM 0 HD22 LEU A 20 3.531 2.444 0.756 1.00 3.44 H new ATOM 0 HD23 LEU A 20 3.931 1.056 -0.283 1.00 3.44 H new ATOM 329 N LEU A 21 3.125 2.116 -2.696 1.00 34.43 N ATOM 330 CA LEU A 21 1.916 1.326 -2.934 1.00 61.31 C ATOM 331 C LEU A 21 2.035 0.526 -4.242 1.00 54.43 C ATOM 332 O LEU A 21 1.681 -0.650 -4.300 1.00 2.12 O ATOM 333 CB LEU A 21 0.686 2.245 -2.991 1.00 43.41 C ATOM 334 CG LEU A 21 -0.660 1.533 -3.220 1.00 73.44 C ATOM 335 CD1 LEU A 21 -0.985 0.598 -2.057 1.00 11.31 C ATOM 336 CD2 LEU A 21 -1.781 2.552 -3.429 1.00 70.10 C ATOM 0 H LEU A 21 2.961 3.120 -2.623 1.00 34.43 H new ATOM 0 HA LEU A 21 1.799 0.623 -2.109 1.00 61.31 H new ATOM 0 HB2 LEU A 21 0.628 2.804 -2.057 1.00 43.41 H new ATOM 0 HB3 LEU A 21 0.834 2.972 -3.789 1.00 43.41 H new ATOM 0 HG LEU A 21 -0.576 0.930 -4.124 1.00 73.44 H new ATOM 0 HD11 LEU A 21 -1.940 0.106 -2.241 1.00 11.31 H new ATOM 0 HD12 LEU A 21 -0.202 -0.154 -1.965 1.00 11.31 H new ATOM 0 HD13 LEU A 21 -1.045 1.174 -1.133 1.00 11.31 H new ATOM 0 HD21 LEU A 21 -2.723 2.028 -3.589 1.00 70.10 H new ATOM 0 HD22 LEU A 21 -1.864 3.187 -2.547 1.00 70.10 H new ATOM 0 HD23 LEU A 21 -1.555 3.168 -4.300 1.00 70.10 H new ATOM 348 N THR A 22 2.558 1.179 -5.285 1.00 15.33 N ATOM 349 CA THR A 22 2.745 0.539 -6.598 1.00 21.53 C ATOM 350 C THR A 22 3.562 -0.757 -6.489 1.00 50.23 C ATOM 351 O THR A 22 3.157 -1.801 -7.007 1.00 24.14 O ATOM 352 CB THR A 22 3.439 1.495 -7.606 1.00 21.33 C ATOM 353 OG1 THR A 22 2.663 2.693 -7.765 1.00 11.52 O ATOM 354 CG2 THR A 22 3.620 0.827 -8.967 1.00 62.01 C ATOM 0 H THR A 22 2.861 2.152 -5.248 1.00 15.33 H new ATOM 0 HA THR A 22 1.748 0.297 -6.965 1.00 21.53 H new ATOM 0 HB THR A 22 4.422 1.743 -7.206 1.00 21.33 H new ATOM 0 HG1 THR A 22 2.669 3.201 -6.927 1.00 11.52 H new ATOM 0 HG21 THR A 22 4.108 1.521 -9.651 1.00 62.01 H new ATOM 0 HG22 THR A 22 4.235 -0.066 -8.855 1.00 62.01 H new ATOM 0 HG23 THR A 22 2.646 0.548 -9.368 1.00 62.01 H new ATOM 362 N GLU A 23 4.705 -0.688 -5.801 1.00 42.03 N ATOM 363 CA GLU A 23 5.554 -1.869 -5.579 1.00 35.03 C ATOM 364 C GLU A 23 4.762 -2.994 -4.884 1.00 62.43 C ATOM 365 O GLU A 23 4.871 -4.170 -5.242 1.00 32.42 O ATOM 366 CB GLU A 23 6.777 -1.506 -4.717 1.00 72.11 C ATOM 367 CG GLU A 23 7.575 -0.293 -5.201 1.00 42.41 C ATOM 368 CD GLU A 23 8.158 -0.456 -6.600 1.00 52.21 C ATOM 369 OE1 GLU A 23 9.028 -1.330 -6.790 1.00 4.12 O ATOM 370 OE2 GLU A 23 7.786 0.325 -7.502 1.00 65.14 O ATOM 0 H GLU A 23 5.066 0.171 -5.387 1.00 42.03 H new ATOM 0 HA GLU A 23 5.890 -2.219 -6.555 1.00 35.03 H new ATOM 0 HB2 GLU A 23 6.440 -1.317 -3.698 1.00 72.11 H new ATOM 0 HB3 GLU A 23 7.443 -2.368 -4.678 1.00 72.11 H new ATOM 0 HG2 GLU A 23 6.928 0.584 -5.187 1.00 42.41 H new ATOM 0 HG3 GLU A 23 8.387 -0.101 -4.500 1.00 42.41 H new ATOM 377 N LEU A 24 3.959 -2.621 -3.890 1.00 42.44 N ATOM 378 CA LEU A 24 3.130 -3.586 -3.158 1.00 61.21 C ATOM 379 C LEU A 24 2.049 -4.201 -4.061 1.00 14.53 C ATOM 380 O LEU A 24 1.740 -5.388 -3.956 1.00 32.25 O ATOM 381 CB LEU A 24 2.478 -2.912 -1.944 1.00 25.24 C ATOM 382 CG LEU A 24 3.461 -2.340 -0.913 1.00 11.25 C ATOM 383 CD1 LEU A 24 2.713 -1.748 0.277 1.00 53.22 C ATOM 384 CD2 LEU A 24 4.446 -3.408 -0.455 1.00 33.23 C ATOM 0 H LEU A 24 3.862 -1.657 -3.570 1.00 42.44 H new ATOM 0 HA LEU A 24 3.781 -4.391 -2.817 1.00 61.21 H new ATOM 0 HB2 LEU A 24 1.835 -2.106 -2.297 1.00 25.24 H new ATOM 0 HB3 LEU A 24 1.835 -3.638 -1.446 1.00 25.24 H new ATOM 0 HG LEU A 24 4.026 -1.540 -1.391 1.00 11.25 H new ATOM 0 HD11 LEU A 24 3.429 -1.349 0.995 1.00 53.22 H new ATOM 0 HD12 LEU A 24 2.059 -0.947 -0.067 1.00 53.22 H new ATOM 0 HD13 LEU A 24 2.116 -2.525 0.754 1.00 53.22 H new ATOM 0 HD21 LEU A 24 5.133 -2.980 0.275 1.00 33.23 H new ATOM 0 HD22 LEU A 24 3.901 -4.235 0.000 1.00 33.23 H new ATOM 0 HD23 LEU A 24 5.010 -3.774 -1.313 1.00 33.23 H new ATOM 396 N VAL A 25 1.484 -3.388 -4.943 1.00 61.30 N ATOM 397 CA VAL A 25 0.454 -3.852 -5.879 1.00 11.43 C ATOM 398 C VAL A 25 1.046 -4.770 -6.961 1.00 35.53 C ATOM 399 O VAL A 25 0.414 -5.743 -7.376 1.00 40.42 O ATOM 400 CB VAL A 25 -0.258 -2.654 -6.560 1.00 35.15 C ATOM 401 CG1 VAL A 25 -1.250 -3.131 -7.621 1.00 2.03 C ATOM 402 CG2 VAL A 25 -0.958 -1.784 -5.515 1.00 42.30 C ATOM 0 H VAL A 25 1.719 -2.400 -5.035 1.00 61.30 H new ATOM 0 HA VAL A 25 -0.271 -4.420 -5.296 1.00 11.43 H new ATOM 0 HB VAL A 25 0.499 -2.051 -7.061 1.00 35.15 H new ATOM 0 HG11 VAL A 25 -1.733 -2.269 -8.081 1.00 2.03 H new ATOM 0 HG12 VAL A 25 -0.720 -3.700 -8.385 1.00 2.03 H new ATOM 0 HG13 VAL A 25 -2.005 -3.764 -7.155 1.00 2.03 H new ATOM 0 HG21 VAL A 25 -1.452 -0.948 -6.010 1.00 42.30 H new ATOM 0 HG22 VAL A 25 -1.699 -2.380 -4.982 1.00 42.30 H new ATOM 0 HG23 VAL A 25 -0.222 -1.403 -4.807 1.00 42.30 H new ATOM 412 N GLU A 26 2.264 -4.460 -7.408 1.00 30.14 N ATOM 413 CA GLU A 26 2.917 -5.237 -8.468 1.00 72.51 C ATOM 414 C GLU A 26 3.548 -6.529 -7.922 1.00 11.51 C ATOM 415 O GLU A 26 3.803 -7.476 -8.673 1.00 13.13 O ATOM 416 CB GLU A 26 3.969 -4.371 -9.188 1.00 53.43 C ATOM 417 CG GLU A 26 5.261 -4.118 -8.400 1.00 54.24 C ATOM 418 CD GLU A 26 6.397 -5.045 -8.809 1.00 2.11 C ATOM 419 OE1 GLU A 26 6.953 -4.853 -9.910 1.00 51.35 O ATOM 420 OE2 GLU A 26 6.724 -5.983 -8.052 1.00 73.42 O ATOM 0 H GLU A 26 2.818 -3.680 -7.055 1.00 30.14 H new ATOM 0 HA GLU A 26 2.153 -5.533 -9.187 1.00 72.51 H new ATOM 0 HB2 GLU A 26 4.227 -4.852 -10.132 1.00 53.43 H new ATOM 0 HB3 GLU A 26 3.518 -3.409 -9.433 1.00 53.43 H new ATOM 0 HG2 GLU A 26 5.573 -3.084 -8.546 1.00 54.24 H new ATOM 0 HG3 GLU A 26 5.062 -4.244 -7.336 1.00 54.24 H new ATOM 427 N HIS A 27 3.808 -6.570 -6.613 1.00 54.23 N ATOM 428 CA HIS A 27 4.392 -7.762 -5.981 1.00 44.44 C ATOM 429 C HIS A 27 3.319 -8.596 -5.260 1.00 23.13 C ATOM 430 O HIS A 27 3.175 -9.795 -5.508 1.00 13.43 O ATOM 431 CB HIS A 27 5.496 -7.354 -4.989 1.00 35.41 C ATOM 432 CG HIS A 27 6.458 -8.460 -4.661 1.00 5.01 C ATOM 433 ND1 HIS A 27 6.151 -9.511 -3.822 1.00 30.31 N ATOM 434 CD2 HIS A 27 7.733 -8.673 -5.068 1.00 40.40 C ATOM 435 CE1 HIS A 27 7.186 -10.319 -3.731 1.00 61.43 C ATOM 436 NE2 HIS A 27 8.159 -9.835 -4.477 1.00 4.13 N ATOM 0 H HIS A 27 3.626 -5.798 -5.971 1.00 54.23 H new ATOM 0 HA HIS A 27 4.827 -8.377 -6.769 1.00 44.44 H new ATOM 0 HB2 HIS A 27 6.052 -6.513 -5.405 1.00 35.41 H new ATOM 0 HB3 HIS A 27 5.031 -7.004 -4.067 1.00 35.41 H new ATOM 0 HD2 HIS A 27 8.307 -8.045 -5.734 1.00 40.40 H new ATOM 0 HE1 HIS A 27 7.231 -11.225 -3.145 1.00 61.43 H new ATOM 0 HE2 HIS A 27 9.080 -10.257 -4.596 1.00 4.13 H new ATOM 445 N TYR A 28 2.572 -7.961 -4.356 1.00 61.13 N ATOM 446 CA TYR A 28 1.514 -8.652 -3.601 1.00 60.12 C ATOM 447 C TYR A 28 0.198 -8.699 -4.397 1.00 44.23 C ATOM 448 O TYR A 28 -0.214 -9.757 -4.874 1.00 12.52 O ATOM 449 CB TYR A 28 1.259 -7.958 -2.251 1.00 13.50 C ATOM 450 CG TYR A 28 2.447 -7.946 -1.303 1.00 1.41 C ATOM 451 CD1 TYR A 28 3.431 -6.965 -1.395 1.00 24.10 C ATOM 452 CD2 TYR A 28 2.575 -8.907 -0.301 1.00 44.34 C ATOM 453 CE1 TYR A 28 4.500 -6.943 -0.521 1.00 64.13 C ATOM 454 CE2 TYR A 28 3.641 -8.884 0.580 1.00 54.42 C ATOM 455 CZ TYR A 28 4.600 -7.901 0.463 1.00 35.12 C ATOM 456 OH TYR A 28 5.656 -7.868 1.345 1.00 44.22 O ATOM 0 H TYR A 28 2.676 -6.973 -4.126 1.00 61.13 H new ATOM 0 HA TYR A 28 1.860 -9.671 -3.426 1.00 60.12 H new ATOM 0 HB2 TYR A 28 0.953 -6.929 -2.440 1.00 13.50 H new ATOM 0 HB3 TYR A 28 0.423 -8.453 -1.757 1.00 13.50 H new ATOM 0 HD1 TYR A 28 3.357 -6.209 -2.163 1.00 24.10 H new ATOM 0 HD2 TYR A 28 1.829 -9.683 -0.211 1.00 44.34 H new ATOM 0 HE1 TYR A 28 5.256 -6.176 -0.609 1.00 64.13 H new ATOM 0 HE2 TYR A 28 3.721 -9.632 1.355 1.00 54.42 H new ATOM 0 HH TYR A 28 5.642 -7.023 1.841 1.00 44.22 H new ATOM 466 N GLY A 29 -0.446 -7.542 -4.541 1.00 1.23 N ATOM 467 CA GLY A 29 -1.737 -7.466 -5.226 1.00 12.12 C ATOM 468 C GLY A 29 -2.802 -6.740 -4.401 1.00 22.10 C ATOM 469 O GLY A 29 -2.644 -6.556 -3.194 1.00 40.20 O ATOM 0 H GLY A 29 -0.098 -6.648 -4.195 1.00 1.23 H new ATOM 0 HA2 GLY A 29 -1.608 -6.952 -6.179 1.00 12.12 H new ATOM 0 HA3 GLY A 29 -2.084 -8.474 -5.452 1.00 12.12 H new ATOM 473 N TRP A 30 -3.898 -6.340 -5.050 1.00 64.41 N ATOM 474 CA TRP A 30 -4.961 -5.566 -4.385 1.00 13.00 C ATOM 475 C TRP A 30 -5.680 -6.374 -3.292 1.00 24.41 C ATOM 476 O TRP A 30 -5.801 -5.916 -2.150 1.00 61.51 O ATOM 477 CB TRP A 30 -5.982 -5.066 -5.413 1.00 31.24 C ATOM 478 CG TRP A 30 -5.408 -4.086 -6.393 1.00 10.22 C ATOM 479 CD1 TRP A 30 -5.151 -4.301 -7.715 1.00 62.55 C ATOM 480 CD2 TRP A 30 -5.009 -2.737 -6.118 1.00 65.15 C ATOM 481 NE1 TRP A 30 -4.635 -3.163 -8.285 1.00 51.22 N ATOM 482 CE2 TRP A 30 -4.536 -2.189 -7.323 1.00 21.50 C ATOM 483 CE3 TRP A 30 -5.018 -1.938 -4.971 1.00 65.13 C ATOM 484 CZ2 TRP A 30 -4.071 -0.878 -7.413 1.00 62.40 C ATOM 485 CZ3 TRP A 30 -4.553 -0.640 -5.059 1.00 5.10 C ATOM 486 CH2 TRP A 30 -4.089 -0.120 -6.273 1.00 51.21 C ATOM 0 H TRP A 30 -4.077 -6.537 -6.035 1.00 64.41 H new ATOM 0 HA TRP A 30 -4.477 -4.716 -3.903 1.00 13.00 H new ATOM 0 HB2 TRP A 30 -6.386 -5.919 -5.958 1.00 31.24 H new ATOM 0 HB3 TRP A 30 -6.816 -4.599 -4.889 1.00 31.24 H new ATOM 0 HD1 TRP A 30 -5.327 -5.230 -8.237 1.00 62.55 H new ATOM 0 HE1 TRP A 30 -4.369 -3.059 -9.264 1.00 51.22 H new ATOM 0 HE3 TRP A 30 -5.382 -2.329 -4.032 1.00 65.13 H new ATOM 0 HZ2 TRP A 30 -3.710 -0.475 -8.348 1.00 62.40 H new ATOM 0 HZ3 TRP A 30 -4.547 -0.017 -4.177 1.00 5.10 H new ATOM 0 HH2 TRP A 30 -3.738 0.901 -6.311 1.00 51.21 H new ATOM 497 N GLU A 31 -6.163 -7.565 -3.643 1.00 0.33 N ATOM 498 CA GLU A 31 -6.829 -8.443 -2.670 1.00 10.00 C ATOM 499 C GLU A 31 -5.909 -8.715 -1.475 1.00 22.53 C ATOM 500 O GLU A 31 -6.328 -8.634 -0.319 1.00 13.23 O ATOM 501 CB GLU A 31 -7.234 -9.767 -3.335 1.00 52.21 C ATOM 502 CG GLU A 31 -8.252 -9.618 -4.464 1.00 73.43 C ATOM 503 CD GLU A 31 -9.610 -9.122 -3.985 1.00 52.42 C ATOM 504 OE1 GLU A 31 -10.426 -9.954 -3.526 1.00 61.15 O ATOM 505 OE2 GLU A 31 -9.872 -7.905 -4.069 1.00 43.20 O ATOM 0 H GLU A 31 -6.108 -7.946 -4.587 1.00 0.33 H new ATOM 0 HA GLU A 31 -7.727 -7.940 -2.312 1.00 10.00 H new ATOM 0 HB2 GLU A 31 -6.340 -10.250 -3.729 1.00 52.21 H new ATOM 0 HB3 GLU A 31 -7.646 -10.431 -2.575 1.00 52.21 H new ATOM 0 HG2 GLU A 31 -7.861 -8.924 -5.208 1.00 73.43 H new ATOM 0 HG3 GLU A 31 -8.378 -10.580 -4.960 1.00 73.43 H new ATOM 512 N GLU A 32 -4.649 -9.012 -1.774 1.00 61.24 N ATOM 513 CA GLU A 32 -3.621 -9.221 -0.750 1.00 75.12 C ATOM 514 C GLU A 32 -3.576 -8.039 0.230 1.00 61.52 C ATOM 515 O GLU A 32 -3.754 -8.210 1.440 1.00 20.24 O ATOM 516 CB GLU A 32 -2.239 -9.399 -1.405 1.00 34.13 C ATOM 517 CG GLU A 32 -2.030 -10.729 -2.132 1.00 14.22 C ATOM 518 CD GLU A 32 -3.061 -11.016 -3.218 1.00 10.32 C ATOM 519 OE1 GLU A 32 -3.323 -10.132 -4.064 1.00 24.10 O ATOM 520 OE2 GLU A 32 -3.608 -12.138 -3.235 1.00 41.11 O ATOM 0 H GLU A 32 -4.308 -9.115 -2.730 1.00 61.24 H new ATOM 0 HA GLU A 32 -3.877 -10.125 -0.198 1.00 75.12 H new ATOM 0 HB2 GLU A 32 -2.084 -8.587 -2.115 1.00 34.13 H new ATOM 0 HB3 GLU A 32 -1.474 -9.300 -0.635 1.00 34.13 H new ATOM 0 HG2 GLU A 32 -1.036 -10.733 -2.580 1.00 14.22 H new ATOM 0 HG3 GLU A 32 -2.054 -11.537 -1.401 1.00 14.22 H new ATOM 527 N LEU A 33 -3.352 -6.841 -0.307 1.00 12.11 N ATOM 528 CA LEU A 33 -3.293 -5.619 0.504 1.00 30.24 C ATOM 529 C LEU A 33 -4.569 -5.432 1.338 1.00 42.31 C ATOM 530 O LEU A 33 -4.520 -4.941 2.467 1.00 5.14 O ATOM 531 CB LEU A 33 -3.076 -4.397 -0.401 1.00 51.25 C ATOM 532 CG LEU A 33 -1.739 -4.372 -1.159 1.00 24.23 C ATOM 533 CD1 LEU A 33 -1.656 -3.150 -2.074 1.00 31.25 C ATOM 534 CD2 LEU A 33 -0.567 -4.394 -0.182 1.00 42.12 C ATOM 0 H LEU A 33 -3.207 -6.687 -1.305 1.00 12.11 H new ATOM 0 HA LEU A 33 -2.454 -5.717 1.193 1.00 30.24 H new ATOM 0 HB2 LEU A 33 -3.888 -4.354 -1.127 1.00 51.25 H new ATOM 0 HB3 LEU A 33 -3.146 -3.496 0.209 1.00 51.25 H new ATOM 0 HG LEU A 33 -1.684 -5.266 -1.781 1.00 24.23 H new ATOM 0 HD11 LEU A 33 -0.701 -3.154 -2.600 1.00 31.25 H new ATOM 0 HD12 LEU A 33 -2.470 -3.182 -2.799 1.00 31.25 H new ATOM 0 HD13 LEU A 33 -1.738 -2.242 -1.477 1.00 31.25 H new ATOM 0 HD21 LEU A 33 0.370 -4.376 -0.738 1.00 42.12 H new ATOM 0 HD22 LEU A 33 -0.620 -3.521 0.469 1.00 42.12 H new ATOM 0 HD23 LEU A 33 -0.613 -5.300 0.422 1.00 42.12 H new ATOM 546 N SER A 34 -5.705 -5.849 0.780 1.00 51.23 N ATOM 547 CA SER A 34 -7.003 -5.728 1.461 1.00 21.23 C ATOM 548 C SER A 34 -7.117 -6.686 2.658 1.00 41.34 C ATOM 549 O SER A 34 -7.950 -6.485 3.544 1.00 33.20 O ATOM 550 CB SER A 34 -8.151 -5.997 0.476 1.00 1.24 C ATOM 551 OG SER A 34 -8.129 -5.083 -0.611 1.00 22.20 O ATOM 0 H SER A 34 -5.757 -6.276 -0.145 1.00 51.23 H new ATOM 0 HA SER A 34 -7.074 -4.708 1.838 1.00 21.23 H new ATOM 0 HB2 SER A 34 -8.076 -7.016 0.097 1.00 1.24 H new ATOM 0 HB3 SER A 34 -9.105 -5.921 0.998 1.00 1.24 H new ATOM 0 HG SER A 34 -7.358 -5.275 -1.185 1.00 22.20 H new ATOM 557 N TYR A 35 -6.295 -7.739 2.680 1.00 2.42 N ATOM 558 CA TYR A 35 -6.300 -8.697 3.797 1.00 61.14 C ATOM 559 C TYR A 35 -5.411 -8.227 4.956 1.00 23.32 C ATOM 560 O TYR A 35 -5.863 -8.166 6.105 1.00 65.51 O ATOM 561 CB TYR A 35 -5.878 -10.093 3.318 1.00 61.10 C ATOM 562 CG TYR A 35 -6.905 -10.736 2.403 1.00 21.05 C ATOM 563 CD1 TYR A 35 -8.218 -10.913 2.827 1.00 33.11 C ATOM 564 CD2 TYR A 35 -6.573 -11.142 1.115 1.00 43.52 C ATOM 565 CE1 TYR A 35 -9.166 -11.481 1.998 1.00 2.34 C ATOM 566 CE2 TYR A 35 -7.518 -11.707 0.279 1.00 75.32 C ATOM 567 CZ TYR A 35 -8.813 -11.873 0.726 1.00 22.41 C ATOM 568 OH TYR A 35 -9.763 -12.427 -0.107 1.00 41.04 O ATOM 0 H TYR A 35 -5.621 -7.952 1.944 1.00 2.42 H new ATOM 0 HA TYR A 35 -7.321 -8.754 4.173 1.00 61.14 H new ATOM 0 HB2 TYR A 35 -4.926 -10.020 2.793 1.00 61.10 H new ATOM 0 HB3 TYR A 35 -5.716 -10.736 4.183 1.00 61.10 H new ATOM 0 HD1 TYR A 35 -8.501 -10.601 3.821 1.00 33.11 H new ATOM 0 HD2 TYR A 35 -5.560 -11.014 0.762 1.00 43.52 H new ATOM 0 HE1 TYR A 35 -10.179 -11.617 2.346 1.00 2.34 H new ATOM 0 HE2 TYR A 35 -7.244 -12.017 -0.719 1.00 75.32 H new ATOM 0 HH TYR A 35 -9.353 -12.648 -0.969 1.00 41.04 H new ATOM 578 N MET A 36 -4.150 -7.893 4.664 1.00 74.10 N ATOM 579 CA MET A 36 -3.246 -7.365 5.698 1.00 24.44 C ATOM 580 C MET A 36 -3.750 -6.009 6.228 1.00 32.23 C ATOM 581 O MET A 36 -3.674 -5.730 7.426 1.00 75.12 O ATOM 582 CB MET A 36 -1.803 -7.228 5.183 1.00 24.24 C ATOM 583 CG MET A 36 -1.106 -8.561 4.911 1.00 10.44 C ATOM 584 SD MET A 36 -1.553 -9.279 3.318 1.00 3.23 S ATOM 585 CE MET A 36 -0.704 -8.164 2.197 1.00 61.54 C ATOM 0 H MET A 36 -3.734 -7.976 3.736 1.00 74.10 H new ATOM 0 HA MET A 36 -3.242 -8.085 6.516 1.00 24.44 H new ATOM 0 HB2 MET A 36 -1.811 -6.641 4.265 1.00 24.24 H new ATOM 0 HB3 MET A 36 -1.220 -6.668 5.914 1.00 24.24 H new ATOM 0 HG2 MET A 36 -0.027 -8.414 4.947 1.00 10.44 H new ATOM 0 HG3 MET A 36 -1.358 -9.265 5.704 1.00 10.44 H new ATOM 0 HE1 MET A 36 -0.373 -8.715 1.317 1.00 61.54 H new ATOM 0 HE2 MET A 36 -1.383 -7.368 1.892 1.00 61.54 H new ATOM 0 HE3 MET A 36 0.160 -7.731 2.700 1.00 61.54 H new ATOM 595 N VAL A 37 -4.270 -5.174 5.330 1.00 32.30 N ATOM 596 CA VAL A 37 -4.917 -3.913 5.716 1.00 23.51 C ATOM 597 C VAL A 37 -6.418 -3.962 5.383 1.00 44.33 C ATOM 598 O VAL A 37 -6.836 -3.620 4.273 1.00 64.21 O ATOM 599 CB VAL A 37 -4.271 -2.691 5.007 1.00 1.03 C ATOM 600 CG1 VAL A 37 -4.891 -1.382 5.497 1.00 41.32 C ATOM 601 CG2 VAL A 37 -2.756 -2.681 5.212 1.00 24.43 C ATOM 0 H VAL A 37 -4.258 -5.346 4.325 1.00 32.30 H new ATOM 0 HA VAL A 37 -4.780 -3.794 6.791 1.00 23.51 H new ATOM 0 HB VAL A 37 -4.470 -2.780 3.939 1.00 1.03 H new ATOM 0 HG11 VAL A 37 -4.421 -0.543 4.985 1.00 41.32 H new ATOM 0 HG12 VAL A 37 -5.960 -1.384 5.285 1.00 41.32 H new ATOM 0 HG13 VAL A 37 -4.735 -1.285 6.571 1.00 41.32 H new ATOM 0 HG21 VAL A 37 -2.326 -1.816 4.706 1.00 24.43 H new ATOM 0 HG22 VAL A 37 -2.533 -2.626 6.278 1.00 24.43 H new ATOM 0 HG23 VAL A 37 -2.327 -3.594 4.798 1.00 24.43 H new ATOM 611 N ASN A 38 -7.223 -4.411 6.346 1.00 74.21 N ATOM 612 CA ASN A 38 -8.661 -4.599 6.128 1.00 34.03 C ATOM 613 C ASN A 38 -9.392 -3.259 5.954 1.00 73.44 C ATOM 614 O ASN A 38 -9.901 -2.685 6.918 1.00 1.12 O ATOM 615 CB ASN A 38 -9.279 -5.395 7.288 1.00 45.33 C ATOM 616 CG ASN A 38 -10.749 -5.709 7.063 1.00 71.42 C ATOM 617 OD1 ASN A 38 -11.097 -6.748 6.510 1.00 45.50 O ATOM 618 ND2 ASN A 38 -11.622 -4.812 7.474 1.00 72.34 N ATOM 0 H ASN A 38 -6.906 -4.652 7.285 1.00 74.21 H new ATOM 0 HA ASN A 38 -8.781 -5.163 5.203 1.00 34.03 H new ATOM 0 HB2 ASN A 38 -8.728 -6.326 7.419 1.00 45.33 H new ATOM 0 HB3 ASN A 38 -9.170 -4.828 8.212 1.00 45.33 H new ATOM 0 HD21 ASN A 38 -12.620 -4.971 7.336 1.00 72.34 H new ATOM 0 HD22 ASN A 38 -11.300 -3.959 7.930 1.00 72.34 H new ATOM 625 N ILE A 39 -9.399 -2.750 4.729 1.00 51.02 N ATOM 626 CA ILE A 39 -10.171 -1.550 4.383 1.00 54.11 C ATOM 627 C ILE A 39 -10.835 -1.714 3.007 1.00 74.41 C ATOM 628 O ILE A 39 -10.207 -2.181 2.050 1.00 74.32 O ATOM 629 CB ILE A 39 -9.295 -0.261 4.383 1.00 35.11 C ATOM 630 CG1 ILE A 39 -8.130 -0.390 3.385 1.00 14.15 C ATOM 631 CG2 ILE A 39 -8.773 0.045 5.790 1.00 14.14 C ATOM 632 CD1 ILE A 39 -7.226 0.824 3.331 1.00 74.44 C ATOM 0 H ILE A 39 -8.877 -3.149 3.949 1.00 51.02 H new ATOM 0 HA ILE A 39 -10.935 -1.437 5.152 1.00 54.11 H new ATOM 0 HB ILE A 39 -9.922 0.572 4.066 1.00 35.11 H new ATOM 0 HG12 ILE A 39 -7.533 -1.263 3.650 1.00 14.15 H new ATOM 0 HG13 ILE A 39 -8.536 -0.572 2.390 1.00 14.15 H new ATOM 0 HG21 ILE A 39 -8.165 0.949 5.764 1.00 14.14 H new ATOM 0 HG22 ILE A 39 -9.615 0.194 6.466 1.00 14.14 H new ATOM 0 HG23 ILE A 39 -8.167 -0.790 6.143 1.00 14.14 H new ATOM 0 HD11 ILE A 39 -6.431 0.654 2.605 1.00 74.44 H new ATOM 0 HD12 ILE A 39 -7.807 1.697 3.035 1.00 74.44 H new ATOM 0 HD13 ILE A 39 -6.788 0.996 4.314 1.00 74.44 H new ATOM 644 N ASN A 40 -12.112 -1.352 2.907 1.00 22.55 N ATOM 645 CA ASN A 40 -12.834 -1.420 1.630 1.00 30.32 C ATOM 646 C ASN A 40 -12.399 -0.264 0.709 1.00 15.52 C ATOM 647 O ASN A 40 -13.154 0.678 0.464 1.00 30.52 O ATOM 648 CB ASN A 40 -14.352 -1.382 1.874 1.00 43.23 C ATOM 649 CG ASN A 40 -15.155 -1.738 0.632 1.00 25.43 C ATOM 650 OD1 ASN A 40 -15.518 -2.892 0.420 1.00 13.43 O ATOM 651 ND2 ASN A 40 -15.424 -0.757 -0.203 1.00 42.45 N ATOM 0 H ASN A 40 -12.670 -1.009 3.689 1.00 22.55 H new ATOM 0 HA ASN A 40 -12.590 -2.361 1.137 1.00 30.32 H new ATOM 0 HB2 ASN A 40 -14.604 -2.076 2.676 1.00 43.23 H new ATOM 0 HB3 ASN A 40 -14.637 -0.386 2.213 1.00 43.23 H new ATOM 0 HD21 ASN A 40 -15.949 -0.944 -1.057 1.00 42.45 H new ATOM 0 HD22 ASN A 40 -15.107 0.190 0.004 1.00 42.45 H new ATOM 658 N CYS A 41 -11.159 -0.336 0.232 1.00 33.14 N ATOM 659 CA CYS A 41 -10.589 0.700 -0.646 1.00 20.32 C ATOM 660 C CYS A 41 -9.851 0.073 -1.832 1.00 75.43 C ATOM 661 O CYS A 41 -10.157 0.358 -2.987 1.00 0.33 O ATOM 662 CB CYS A 41 -9.629 1.603 0.137 1.00 45.20 C ATOM 663 SG CYS A 41 -8.738 2.800 -0.888 1.00 61.15 S ATOM 0 H CYS A 41 -10.520 -1.104 0.437 1.00 33.14 H new ATOM 0 HA CYS A 41 -11.415 1.300 -1.027 1.00 20.32 H new ATOM 0 HB2 CYS A 41 -10.193 2.142 0.898 1.00 45.20 H new ATOM 0 HB3 CYS A 41 -8.905 0.978 0.660 1.00 45.20 H new ATOM 0 HG CYS A 41 -7.491 2.447 -0.983 1.00 61.15 H new ATOM 669 N PHE A 42 -8.883 -0.797 -1.535 1.00 65.13 N ATOM 670 CA PHE A 42 -8.121 -1.509 -2.573 1.00 0.53 C ATOM 671 C PHE A 42 -9.047 -2.336 -3.484 1.00 21.24 C ATOM 672 O PHE A 42 -8.688 -2.675 -4.613 1.00 21.23 O ATOM 673 CB PHE A 42 -7.080 -2.438 -1.925 1.00 44.11 C ATOM 674 CG PHE A 42 -6.135 -1.743 -0.971 1.00 52.30 C ATOM 675 CD1 PHE A 42 -5.329 -0.700 -1.404 1.00 23.13 C ATOM 676 CD2 PHE A 42 -6.050 -2.140 0.359 1.00 65.33 C ATOM 677 CE1 PHE A 42 -4.460 -0.068 -0.534 1.00 1.32 C ATOM 678 CE2 PHE A 42 -5.181 -1.511 1.232 1.00 1.12 C ATOM 679 CZ PHE A 42 -4.387 -0.473 0.786 1.00 72.34 C ATOM 0 H PHE A 42 -8.605 -1.029 -0.581 1.00 65.13 H new ATOM 0 HA PHE A 42 -7.616 -0.760 -3.183 1.00 0.53 H new ATOM 0 HB2 PHE A 42 -7.601 -3.231 -1.389 1.00 44.11 H new ATOM 0 HB3 PHE A 42 -6.497 -2.916 -2.712 1.00 44.11 H new ATOM 0 HD1 PHE A 42 -5.381 -0.378 -2.433 1.00 23.13 H new ATOM 0 HD2 PHE A 42 -6.670 -2.949 0.715 1.00 65.33 H new ATOM 0 HE1 PHE A 42 -3.838 0.742 -0.885 1.00 1.32 H new ATOM 0 HE2 PHE A 42 -5.123 -1.831 2.262 1.00 1.12 H new ATOM 0 HZ PHE A 42 -3.710 0.022 1.467 1.00 72.34 H new ATOM 689 N LYS A 43 -10.240 -2.656 -2.980 1.00 10.01 N ATOM 690 CA LYS A 43 -11.207 -3.473 -3.717 1.00 13.14 C ATOM 691 C LYS A 43 -12.061 -2.632 -4.687 1.00 64.24 C ATOM 692 O LYS A 43 -12.472 -3.119 -5.743 1.00 4.02 O ATOM 693 CB LYS A 43 -12.104 -4.229 -2.726 1.00 72.33 C ATOM 694 CG LYS A 43 -11.317 -5.044 -1.696 1.00 12.45 C ATOM 695 CD LYS A 43 -12.157 -6.157 -1.073 1.00 31.30 C ATOM 696 CE LYS A 43 -12.481 -7.249 -2.090 1.00 61.11 C ATOM 697 NZ LYS A 43 -13.214 -8.390 -1.482 1.00 71.11 N ATOM 0 H LYS A 43 -10.562 -2.360 -2.058 1.00 10.01 H new ATOM 0 HA LYS A 43 -10.649 -4.186 -4.324 1.00 13.14 H new ATOM 0 HB2 LYS A 43 -12.740 -3.514 -2.204 1.00 72.33 H new ATOM 0 HB3 LYS A 43 -12.763 -4.897 -3.280 1.00 72.33 H new ATOM 0 HG2 LYS A 43 -10.439 -5.479 -2.174 1.00 12.45 H new ATOM 0 HG3 LYS A 43 -10.956 -4.381 -0.910 1.00 12.45 H new ATOM 0 HD2 LYS A 43 -11.620 -6.591 -0.230 1.00 31.30 H new ATOM 0 HD3 LYS A 43 -13.083 -5.738 -0.679 1.00 31.30 H new ATOM 0 HE2 LYS A 43 -13.079 -6.825 -2.896 1.00 61.11 H new ATOM 0 HE3 LYS A 43 -11.555 -7.612 -2.537 1.00 61.11 H new ATOM 0 HZ1 LYS A 43 -13.411 -9.105 -2.212 1.00 71.11 H new ATOM 0 HZ2 LYS A 43 -12.634 -8.814 -0.730 1.00 71.11 H new ATOM 0 HZ3 LYS A 43 -14.111 -8.051 -1.079 1.00 71.11 H new ATOM 711 N LYS A 44 -12.320 -1.371 -4.336 1.00 62.11 N ATOM 712 CA LYS A 44 -13.100 -0.473 -5.200 1.00 44.34 C ATOM 713 C LYS A 44 -12.189 0.244 -6.205 1.00 35.51 C ATOM 714 O LYS A 44 -11.377 1.084 -5.823 1.00 72.22 O ATOM 715 CB LYS A 44 -13.869 0.559 -4.358 1.00 60.13 C ATOM 716 CG LYS A 44 -14.666 1.562 -5.193 1.00 54.30 C ATOM 717 CD LYS A 44 -15.455 2.540 -4.324 1.00 12.44 C ATOM 718 CE LYS A 44 -16.174 3.600 -5.161 1.00 72.13 C ATOM 719 NZ LYS A 44 -17.090 2.995 -6.164 1.00 5.50 N ATOM 0 H LYS A 44 -12.004 -0.947 -3.464 1.00 62.11 H new ATOM 0 HA LYS A 44 -13.818 -1.080 -5.752 1.00 44.34 H new ATOM 0 HB2 LYS A 44 -14.551 0.034 -3.689 1.00 60.13 H new ATOM 0 HB3 LYS A 44 -13.162 1.102 -3.731 1.00 60.13 H new ATOM 0 HG2 LYS A 44 -13.985 2.119 -5.836 1.00 54.30 H new ATOM 0 HG3 LYS A 44 -15.353 1.024 -5.846 1.00 54.30 H new ATOM 0 HD2 LYS A 44 -16.185 1.990 -3.731 1.00 12.44 H new ATOM 0 HD3 LYS A 44 -14.779 3.029 -3.623 1.00 12.44 H new ATOM 0 HE2 LYS A 44 -16.742 4.257 -4.502 1.00 72.13 H new ATOM 0 HE3 LYS A 44 -15.437 4.220 -5.671 1.00 72.13 H new ATOM 0 HZ1 LYS A 44 -17.667 3.741 -6.602 1.00 5.50 H new ATOM 0 HZ2 LYS A 44 -16.532 2.513 -6.898 1.00 5.50 H new ATOM 0 HZ3 LYS A 44 -17.713 2.307 -5.695 1.00 5.50 H new ATOM 733 N ASP A 45 -12.344 -0.092 -7.487 1.00 42.44 N ATOM 734 CA ASP A 45 -11.482 0.431 -8.557 1.00 41.42 C ATOM 735 C ASP A 45 -9.998 0.109 -8.283 1.00 52.33 C ATOM 736 O ASP A 45 -9.308 0.851 -7.581 1.00 13.43 O ATOM 737 CB ASP A 45 -11.688 1.944 -8.749 1.00 63.54 C ATOM 738 CG ASP A 45 -10.826 2.512 -9.869 1.00 33.50 C ATOM 739 OD1 ASP A 45 -10.812 1.925 -10.974 1.00 74.14 O ATOM 740 OD2 ASP A 45 -10.154 3.547 -9.653 1.00 14.44 O ATOM 0 H ASP A 45 -13.067 -0.732 -7.815 1.00 42.44 H new ATOM 0 HA ASP A 45 -11.769 -0.066 -9.484 1.00 41.42 H new ATOM 0 HB2 ASP A 45 -12.738 2.140 -8.968 1.00 63.54 H new ATOM 0 HB3 ASP A 45 -11.455 2.460 -7.818 1.00 63.54 H new ATOM 745 N PRO A 46 -9.492 -1.022 -8.819 1.00 41.45 N ATOM 746 CA PRO A 46 -8.089 -1.433 -8.639 1.00 12.42 C ATOM 747 C PRO A 46 -7.099 -0.479 -9.332 1.00 31.15 C ATOM 748 O PRO A 46 -6.525 -0.798 -10.377 1.00 11.35 O ATOM 749 CB PRO A 46 -8.034 -2.841 -9.270 1.00 24.42 C ATOM 750 CG PRO A 46 -9.462 -3.258 -9.426 1.00 51.44 C ATOM 751 CD PRO A 46 -10.243 -1.990 -9.627 1.00 53.21 C ATOM 0 HA PRO A 46 -7.796 -1.419 -7.589 1.00 12.42 H new ATOM 0 HB2 PRO A 46 -7.522 -2.821 -10.232 1.00 24.42 H new ATOM 0 HB3 PRO A 46 -7.488 -3.537 -8.633 1.00 24.42 H new ATOM 0 HG2 PRO A 46 -9.582 -3.929 -10.276 1.00 51.44 H new ATOM 0 HG3 PRO A 46 -9.810 -3.795 -8.544 1.00 51.44 H new ATOM 0 HD2 PRO A 46 -10.281 -1.699 -10.677 1.00 53.21 H new ATOM 0 HD3 PRO A 46 -11.274 -2.090 -9.286 1.00 53.21 H new ATOM 759 N SER A 47 -6.920 0.703 -8.748 1.00 13.12 N ATOM 760 CA SER A 47 -6.019 1.725 -9.297 1.00 13.31 C ATOM 761 C SER A 47 -5.300 2.480 -8.175 1.00 52.41 C ATOM 762 O SER A 47 -5.901 2.800 -7.149 1.00 2.35 O ATOM 763 CB SER A 47 -6.804 2.722 -10.161 1.00 21.21 C ATOM 764 OG SER A 47 -5.953 3.712 -10.727 1.00 10.42 O ATOM 0 H SER A 47 -7.390 0.983 -7.887 1.00 13.12 H new ATOM 0 HA SER A 47 -5.276 1.219 -9.913 1.00 13.31 H new ATOM 0 HB2 SER A 47 -7.319 2.186 -10.958 1.00 21.21 H new ATOM 0 HB3 SER A 47 -7.570 3.205 -9.554 1.00 21.21 H new ATOM 0 HG SER A 47 -6.486 4.328 -11.272 1.00 10.42 H new ATOM 770 N ILE A 48 -4.012 2.772 -8.376 1.00 11.22 N ATOM 771 CA ILE A 48 -3.207 3.469 -7.363 1.00 40.33 C ATOM 772 C ILE A 48 -3.898 4.760 -6.884 1.00 70.30 C ATOM 773 O ILE A 48 -3.974 5.035 -5.687 1.00 54.42 O ATOM 774 CB ILE A 48 -1.794 3.815 -7.909 1.00 3.43 C ATOM 775 CG1 ILE A 48 -1.073 2.546 -8.389 1.00 52.32 C ATOM 776 CG2 ILE A 48 -0.960 4.542 -6.853 1.00 54.41 C ATOM 777 CD1 ILE A 48 -0.830 1.521 -7.300 1.00 53.32 C ATOM 0 H ILE A 48 -3.503 2.538 -9.228 1.00 11.22 H new ATOM 0 HA ILE A 48 -3.106 2.789 -6.517 1.00 40.33 H new ATOM 0 HB ILE A 48 -1.917 4.484 -8.761 1.00 3.43 H new ATOM 0 HG12 ILE A 48 -1.662 2.085 -9.182 1.00 52.32 H new ATOM 0 HG13 ILE A 48 -0.116 2.829 -8.827 1.00 52.32 H new ATOM 0 HG21 ILE A 48 0.024 4.772 -7.262 1.00 54.41 H new ATOM 0 HG22 ILE A 48 -1.460 5.468 -6.568 1.00 54.41 H new ATOM 0 HG23 ILE A 48 -0.849 3.905 -5.976 1.00 54.41 H new ATOM 0 HD11 ILE A 48 -0.317 0.657 -7.722 1.00 53.32 H new ATOM 0 HD12 ILE A 48 -0.214 1.962 -6.516 1.00 53.32 H new ATOM 0 HD13 ILE A 48 -1.784 1.206 -6.877 1.00 53.32 H new ATOM 789 N LYS A 49 -4.434 5.524 -7.833 1.00 61.22 N ATOM 790 CA LYS A 49 -5.099 6.798 -7.530 1.00 74.33 C ATOM 791 C LYS A 49 -6.402 6.590 -6.737 1.00 21.42 C ATOM 792 O LYS A 49 -6.843 7.471 -5.991 1.00 2.13 O ATOM 793 CB LYS A 49 -5.378 7.551 -8.838 1.00 25.41 C ATOM 794 CG LYS A 49 -4.129 7.758 -9.688 1.00 20.23 C ATOM 795 CD LYS A 49 -4.438 8.469 -10.999 1.00 24.13 C ATOM 796 CE LYS A 49 -3.191 8.629 -11.856 1.00 14.23 C ATOM 797 NZ LYS A 49 -3.467 9.366 -13.116 1.00 60.03 N ATOM 0 H LYS A 49 -4.423 5.285 -8.825 1.00 61.22 H new ATOM 0 HA LYS A 49 -4.434 7.390 -6.902 1.00 74.33 H new ATOM 0 HB2 LYS A 49 -6.117 6.998 -9.418 1.00 25.41 H new ATOM 0 HB3 LYS A 49 -5.816 8.521 -8.605 1.00 25.41 H new ATOM 0 HG2 LYS A 49 -3.400 8.340 -9.124 1.00 20.23 H new ATOM 0 HG3 LYS A 49 -3.671 6.792 -9.900 1.00 20.23 H new ATOM 0 HD2 LYS A 49 -5.190 7.905 -11.551 1.00 24.13 H new ATOM 0 HD3 LYS A 49 -4.865 9.450 -10.790 1.00 24.13 H new ATOM 0 HE2 LYS A 49 -2.427 9.159 -11.287 1.00 14.23 H new ATOM 0 HE3 LYS A 49 -2.787 7.645 -12.094 1.00 14.23 H new ATOM 0 HZ1 LYS A 49 -2.590 9.451 -13.668 1.00 60.03 H new ATOM 0 HZ2 LYS A 49 -4.177 8.848 -13.673 1.00 60.03 H new ATOM 0 HZ3 LYS A 49 -3.828 10.315 -12.891 1.00 60.03 H new ATOM 811 N SER A 50 -7.016 5.421 -6.898 1.00 43.23 N ATOM 812 CA SER A 50 -8.213 5.064 -6.127 1.00 42.13 C ATOM 813 C SER A 50 -7.883 4.956 -4.639 1.00 12.54 C ATOM 814 O SER A 50 -8.547 5.557 -3.792 1.00 52.45 O ATOM 815 CB SER A 50 -8.803 3.738 -6.616 1.00 40.14 C ATOM 816 OG SER A 50 -9.973 3.403 -5.888 1.00 14.42 O ATOM 0 H SER A 50 -6.708 4.703 -7.553 1.00 43.23 H new ATOM 0 HA SER A 50 -8.949 5.854 -6.274 1.00 42.13 H new ATOM 0 HB2 SER A 50 -9.039 3.811 -7.678 1.00 40.14 H new ATOM 0 HB3 SER A 50 -8.063 2.945 -6.508 1.00 40.14 H new ATOM 0 HG SER A 50 -10.203 2.464 -6.052 1.00 14.42 H new ATOM 822 N SER A 51 -6.836 4.192 -4.333 1.00 61.10 N ATOM 823 CA SER A 51 -6.367 4.036 -2.954 1.00 42.20 C ATOM 824 C SER A 51 -5.824 5.356 -2.397 1.00 23.11 C ATOM 825 O SER A 51 -6.048 5.682 -1.235 1.00 71.31 O ATOM 826 CB SER A 51 -5.288 2.950 -2.877 1.00 74.03 C ATOM 827 OG SER A 51 -5.769 1.714 -3.376 1.00 15.44 O ATOM 0 H SER A 51 -6.294 3.670 -5.022 1.00 61.10 H new ATOM 0 HA SER A 51 -7.220 3.736 -2.345 1.00 42.20 H new ATOM 0 HB2 SER A 51 -4.414 3.261 -3.449 1.00 74.03 H new ATOM 0 HB3 SER A 51 -4.965 2.827 -1.843 1.00 74.03 H new ATOM 0 HG SER A 51 -5.737 1.722 -4.355 1.00 15.44 H new ATOM 833 N LEU A 52 -5.116 6.120 -3.234 1.00 35.42 N ATOM 834 CA LEU A 52 -4.579 7.429 -2.819 1.00 11.53 C ATOM 835 C LEU A 52 -5.682 8.349 -2.265 1.00 61.44 C ATOM 836 O LEU A 52 -5.472 9.050 -1.274 1.00 53.35 O ATOM 837 CB LEU A 52 -3.853 8.121 -3.986 1.00 62.11 C ATOM 838 CG LEU A 52 -2.539 7.455 -4.435 1.00 2.03 C ATOM 839 CD1 LEU A 52 -1.927 8.205 -5.615 1.00 71.32 C ATOM 840 CD2 LEU A 52 -1.547 7.368 -3.275 1.00 62.50 C ATOM 0 H LEU A 52 -4.900 5.862 -4.197 1.00 35.42 H new ATOM 0 HA LEU A 52 -3.863 7.241 -2.019 1.00 11.53 H new ATOM 0 HB2 LEU A 52 -4.530 8.162 -4.839 1.00 62.11 H new ATOM 0 HB3 LEU A 52 -3.639 9.151 -3.699 1.00 62.11 H new ATOM 0 HG LEU A 52 -2.769 6.440 -4.759 1.00 2.03 H new ATOM 0 HD11 LEU A 52 -1.000 7.717 -5.915 1.00 71.32 H new ATOM 0 HD12 LEU A 52 -2.626 8.201 -6.451 1.00 71.32 H new ATOM 0 HD13 LEU A 52 -1.717 9.234 -5.323 1.00 71.32 H new ATOM 0 HD21 LEU A 52 -0.627 6.894 -3.618 1.00 62.50 H new ATOM 0 HD22 LEU A 52 -1.324 8.371 -2.911 1.00 62.50 H new ATOM 0 HD23 LEU A 52 -1.981 6.777 -2.469 1.00 62.50 H new ATOM 852 N LYS A 53 -6.861 8.335 -2.894 1.00 31.12 N ATOM 853 CA LYS A 53 -7.992 9.156 -2.428 1.00 23.41 C ATOM 854 C LYS A 53 -8.438 8.792 -0.997 1.00 14.41 C ATOM 855 O LYS A 53 -9.144 9.562 -0.347 1.00 1.05 O ATOM 856 CB LYS A 53 -9.185 9.036 -3.390 1.00 13.53 C ATOM 857 CG LYS A 53 -8.991 9.766 -4.719 1.00 33.34 C ATOM 858 CD LYS A 53 -10.270 9.782 -5.556 1.00 44.32 C ATOM 859 CE LYS A 53 -10.656 8.392 -6.050 1.00 33.15 C ATOM 860 NZ LYS A 53 -9.659 7.853 -7.014 1.00 1.40 N ATOM 0 H LYS A 53 -7.060 7.771 -3.720 1.00 31.12 H new ATOM 0 HA LYS A 53 -7.640 10.187 -2.411 1.00 23.41 H new ATOM 0 HB2 LYS A 53 -9.371 7.981 -3.591 1.00 13.53 H new ATOM 0 HB3 LYS A 53 -10.075 9.429 -2.899 1.00 13.53 H new ATOM 0 HG2 LYS A 53 -8.671 10.790 -4.527 1.00 33.34 H new ATOM 0 HG3 LYS A 53 -8.194 9.284 -5.285 1.00 33.34 H new ATOM 0 HD2 LYS A 53 -11.086 10.193 -4.961 1.00 44.32 H new ATOM 0 HD3 LYS A 53 -10.134 10.444 -6.411 1.00 44.32 H new ATOM 0 HE2 LYS A 53 -10.743 7.715 -5.200 1.00 33.15 H new ATOM 0 HE3 LYS A 53 -11.636 8.434 -6.526 1.00 33.15 H new ATOM 0 HZ1 LYS A 53 -9.947 6.900 -7.315 1.00 1.40 H new ATOM 0 HZ2 LYS A 53 -9.607 8.477 -7.844 1.00 1.40 H new ATOM 0 HZ3 LYS A 53 -8.726 7.805 -6.558 1.00 1.40 H new ATOM 874 N PHE A 54 -8.037 7.618 -0.516 1.00 73.12 N ATOM 875 CA PHE A 54 -8.355 7.193 0.855 1.00 73.20 C ATOM 876 C PHE A 54 -7.128 7.330 1.773 1.00 72.13 C ATOM 877 O PHE A 54 -7.224 7.838 2.894 1.00 22.52 O ATOM 878 CB PHE A 54 -8.856 5.741 0.845 1.00 71.43 C ATOM 879 CG PHE A 54 -9.312 5.233 2.192 1.00 41.40 C ATOM 880 CD1 PHE A 54 -10.564 5.571 2.688 1.00 53.42 C ATOM 881 CD2 PHE A 54 -8.494 4.412 2.957 1.00 52.42 C ATOM 882 CE1 PHE A 54 -10.988 5.104 3.916 1.00 12.52 C ATOM 883 CE2 PHE A 54 -8.915 3.943 4.187 1.00 14.33 C ATOM 884 CZ PHE A 54 -10.162 4.288 4.667 1.00 73.51 C ATOM 0 H PHE A 54 -7.492 6.941 -1.050 1.00 73.12 H new ATOM 0 HA PHE A 54 -9.140 7.840 1.246 1.00 73.20 H new ATOM 0 HB2 PHE A 54 -9.683 5.659 0.140 1.00 71.43 H new ATOM 0 HB3 PHE A 54 -8.058 5.096 0.477 1.00 71.43 H new ATOM 0 HD1 PHE A 54 -11.214 6.207 2.106 1.00 53.42 H new ATOM 0 HD2 PHE A 54 -7.518 4.137 2.587 1.00 52.42 H new ATOM 0 HE1 PHE A 54 -11.964 5.376 4.290 1.00 12.52 H new ATOM 0 HE2 PHE A 54 -8.268 3.307 4.773 1.00 14.33 H new ATOM 0 HZ PHE A 54 -10.492 3.921 5.628 1.00 73.51 H new ATOM 894 N LEU A 55 -5.971 6.892 1.285 1.00 13.20 N ATOM 895 CA LEU A 55 -4.723 6.954 2.056 1.00 33.02 C ATOM 896 C LEU A 55 -4.344 8.400 2.423 1.00 4.14 C ATOM 897 O LEU A 55 -3.805 8.650 3.501 1.00 51.03 O ATOM 898 CB LEU A 55 -3.574 6.308 1.265 1.00 63.41 C ATOM 899 CG LEU A 55 -3.747 4.814 0.938 1.00 40.00 C ATOM 900 CD1 LEU A 55 -2.568 4.304 0.112 1.00 33.24 C ATOM 901 CD2 LEU A 55 -3.910 3.993 2.218 1.00 44.53 C ATOM 0 H LEU A 55 -5.867 6.487 0.355 1.00 13.20 H new ATOM 0 HA LEU A 55 -4.889 6.403 2.982 1.00 33.02 H new ATOM 0 HB2 LEU A 55 -3.449 6.854 0.330 1.00 63.41 H new ATOM 0 HB3 LEU A 55 -2.652 6.433 1.832 1.00 63.41 H new ATOM 0 HG LEU A 55 -4.654 4.697 0.345 1.00 40.00 H new ATOM 0 HD11 LEU A 55 -2.709 3.246 -0.109 1.00 33.24 H new ATOM 0 HD12 LEU A 55 -2.508 4.865 -0.821 1.00 33.24 H new ATOM 0 HD13 LEU A 55 -1.644 4.437 0.675 1.00 33.24 H new ATOM 0 HD21 LEU A 55 -4.031 2.940 1.962 1.00 44.53 H new ATOM 0 HD22 LEU A 55 -3.026 4.115 2.844 1.00 44.53 H new ATOM 0 HD23 LEU A 55 -4.790 4.337 2.762 1.00 44.53 H new ATOM 913 N ARG A 56 -4.639 9.351 1.534 1.00 62.13 N ATOM 914 CA ARG A 56 -4.255 10.755 1.751 1.00 25.32 C ATOM 915 C ARG A 56 -4.977 11.383 2.960 1.00 62.34 C ATOM 916 O ARG A 56 -4.636 12.485 3.385 1.00 23.22 O ATOM 917 CB ARG A 56 -4.513 11.592 0.488 1.00 33.03 C ATOM 918 CG ARG A 56 -5.989 11.852 0.188 1.00 24.13 C ATOM 919 CD ARG A 56 -6.173 12.656 -1.098 1.00 12.43 C ATOM 920 NE ARG A 56 -5.415 13.912 -1.090 1.00 5.54 N ATOM 921 CZ ARG A 56 -5.597 14.889 -1.942 1.00 14.20 C ATOM 922 NH1 ARG A 56 -6.522 14.815 -2.848 1.00 20.31 N ATOM 923 NH2 ARG A 56 -4.852 15.944 -1.885 1.00 75.11 N ATOM 0 H ARG A 56 -5.139 9.180 0.662 1.00 62.13 H new ATOM 0 HA ARG A 56 -3.187 10.758 1.971 1.00 25.32 H new ATOM 0 HB2 ARG A 56 -4.003 12.550 0.592 1.00 33.03 H new ATOM 0 HB3 ARG A 56 -4.066 11.084 -0.366 1.00 33.03 H new ATOM 0 HG2 ARG A 56 -6.515 10.901 0.101 1.00 24.13 H new ATOM 0 HG3 ARG A 56 -6.440 12.391 1.021 1.00 24.13 H new ATOM 0 HD2 ARG A 56 -5.858 12.051 -1.949 1.00 12.43 H new ATOM 0 HD3 ARG A 56 -7.232 12.875 -1.237 1.00 12.43 H new ATOM 0 HE ARG A 56 -4.699 14.032 -0.373 1.00 5.54 H new ATOM 0 HH11 ARG A 56 -7.118 13.989 -2.902 1.00 20.31 H new ATOM 0 HH12 ARG A 56 -6.654 15.583 -3.506 1.00 20.31 H new ATOM 0 HH21 ARG A 56 -4.122 16.015 -1.176 1.00 75.11 H new ATOM 0 HH22 ARG A 56 -4.994 16.705 -2.549 1.00 75.11 H new ATOM 937 N LYS A 57 -5.967 10.681 3.515 1.00 64.34 N ATOM 938 CA LYS A 57 -6.689 11.166 4.706 1.00 31.23 C ATOM 939 C LYS A 57 -6.550 10.199 5.900 1.00 62.41 C ATOM 940 O LYS A 57 -6.298 10.630 7.027 1.00 71.45 O ATOM 941 CB LYS A 57 -8.176 11.408 4.378 1.00 72.01 C ATOM 942 CG LYS A 57 -8.880 10.219 3.729 1.00 4.41 C ATOM 943 CD LYS A 57 -10.326 10.535 3.327 1.00 23.35 C ATOM 944 CE LYS A 57 -11.293 10.507 4.515 1.00 30.40 C ATOM 945 NZ LYS A 57 -11.005 11.565 5.521 1.00 34.33 N ATOM 0 H LYS A 57 -6.290 9.779 3.165 1.00 64.34 H new ATOM 0 HA LYS A 57 -6.233 12.112 4.998 1.00 31.23 H new ATOM 0 HB2 LYS A 57 -8.701 11.668 5.297 1.00 72.01 H new ATOM 0 HB3 LYS A 57 -8.254 12.268 3.713 1.00 72.01 H new ATOM 0 HG2 LYS A 57 -8.321 9.909 2.846 1.00 4.41 H new ATOM 0 HG3 LYS A 57 -8.875 9.377 4.421 1.00 4.41 H new ATOM 0 HD2 LYS A 57 -10.361 11.519 2.859 1.00 23.35 H new ATOM 0 HD3 LYS A 57 -10.656 9.814 2.579 1.00 23.35 H new ATOM 0 HE2 LYS A 57 -12.313 10.628 4.150 1.00 30.40 H new ATOM 0 HE3 LYS A 57 -11.241 9.531 4.997 1.00 30.40 H new ATOM 0 HZ1 LYS A 57 -11.897 11.895 5.943 1.00 34.33 H new ATOM 0 HZ2 LYS A 57 -10.392 11.178 6.266 1.00 34.33 H new ATOM 0 HZ3 LYS A 57 -10.525 12.363 5.058 1.00 34.33 H new ATOM 959 N THR A 58 -6.706 8.899 5.655 1.00 62.32 N ATOM 960 CA THR A 58 -6.637 7.895 6.727 1.00 41.13 C ATOM 961 C THR A 58 -5.185 7.564 7.123 1.00 72.20 C ATOM 962 O THR A 58 -4.493 6.810 6.435 1.00 21.24 O ATOM 963 CB THR A 58 -7.369 6.595 6.315 1.00 64.52 C ATOM 964 OG1 THR A 58 -8.736 6.889 5.983 1.00 40.55 O ATOM 965 CG2 THR A 58 -7.330 5.556 7.429 1.00 63.31 C ATOM 0 H THR A 58 -6.881 8.512 4.727 1.00 62.32 H new ATOM 0 HA THR A 58 -7.133 8.332 7.594 1.00 41.13 H new ATOM 0 HB THR A 58 -6.856 6.184 5.446 1.00 64.52 H new ATOM 0 HG1 THR A 58 -9.144 6.107 5.556 1.00 40.55 H new ATOM 0 HG21 THR A 58 -7.853 4.656 7.106 1.00 63.31 H new ATOM 0 HG22 THR A 58 -6.294 5.310 7.661 1.00 63.31 H new ATOM 0 HG23 THR A 58 -7.815 5.958 8.319 1.00 63.31 H new ATOM 973 N ASP A 59 -4.744 8.126 8.250 1.00 42.23 N ATOM 974 CA ASP A 59 -3.369 7.936 8.740 1.00 14.55 C ATOM 975 C ASP A 59 -3.057 6.460 9.052 1.00 43.01 C ATOM 976 O ASP A 59 -2.084 5.902 8.542 1.00 61.51 O ATOM 977 CB ASP A 59 -3.143 8.796 9.993 1.00 12.20 C ATOM 978 CG ASP A 59 -1.699 8.775 10.478 1.00 25.35 C ATOM 979 OD1 ASP A 59 -1.298 7.802 11.147 1.00 75.45 O ATOM 980 OD2 ASP A 59 -0.962 9.746 10.207 1.00 22.12 O ATOM 0 H ASP A 59 -5.320 8.720 8.846 1.00 42.23 H new ATOM 0 HA ASP A 59 -2.691 8.248 7.945 1.00 14.55 H new ATOM 0 HB2 ASP A 59 -3.433 9.824 9.778 1.00 12.20 H new ATOM 0 HB3 ASP A 59 -3.794 8.442 10.792 1.00 12.20 H new ATOM 985 N TRP A 60 -3.888 5.835 9.888 1.00 33.20 N ATOM 986 CA TRP A 60 -3.633 4.459 10.342 1.00 13.02 C ATOM 987 C TRP A 60 -3.588 3.449 9.180 1.00 12.24 C ATOM 988 O TRP A 60 -3.054 2.352 9.327 1.00 61.33 O ATOM 989 CB TRP A 60 -4.664 4.025 11.399 1.00 42.45 C ATOM 990 CG TRP A 60 -6.088 3.984 10.917 1.00 40.22 C ATOM 991 CD1 TRP A 60 -6.982 5.017 10.908 1.00 12.15 C ATOM 992 CD2 TRP A 60 -6.787 2.845 10.397 1.00 0.25 C ATOM 993 NE1 TRP A 60 -8.190 4.588 10.409 1.00 14.31 N ATOM 994 CE2 TRP A 60 -8.092 3.262 10.084 1.00 55.14 C ATOM 995 CE3 TRP A 60 -6.430 1.515 10.158 1.00 51.45 C ATOM 996 CZ2 TRP A 60 -9.044 2.397 9.551 1.00 61.33 C ATOM 997 CZ3 TRP A 60 -7.374 0.657 9.628 1.00 42.41 C ATOM 998 CH2 TRP A 60 -8.667 1.102 9.329 1.00 74.32 C ATOM 0 H TRP A 60 -4.739 6.253 10.265 1.00 33.20 H new ATOM 0 HA TRP A 60 -2.644 4.462 10.799 1.00 13.02 H new ATOM 0 HB2 TRP A 60 -4.392 3.035 11.766 1.00 42.45 H new ATOM 0 HB3 TRP A 60 -4.602 4.707 12.247 1.00 42.45 H new ATOM 0 HD1 TRP A 60 -6.771 6.022 11.243 1.00 12.15 H new ATOM 0 HE1 TRP A 60 -9.024 5.165 10.299 1.00 14.31 H new ATOM 0 HE3 TRP A 60 -5.434 1.164 10.384 1.00 51.45 H new ATOM 0 HZ2 TRP A 60 -10.043 2.737 9.321 1.00 61.33 H new ATOM 0 HZ3 TRP A 60 -7.110 -0.374 9.441 1.00 42.41 H new ATOM 0 HH2 TRP A 60 -9.382 0.407 8.914 1.00 74.32 H new ATOM 1009 N ALA A 61 -4.150 3.818 8.029 1.00 20.13 N ATOM 1010 CA ALA A 61 -4.035 2.992 6.822 1.00 2.10 C ATOM 1011 C ALA A 61 -2.618 3.084 6.235 1.00 52.41 C ATOM 1012 O ALA A 61 -2.028 2.076 5.847 1.00 32.24 O ATOM 1013 CB ALA A 61 -5.069 3.415 5.782 1.00 74.41 C ATOM 0 H ALA A 61 -4.686 4.677 7.905 1.00 20.13 H new ATOM 0 HA ALA A 61 -4.227 1.955 7.099 1.00 2.10 H new ATOM 0 HB1 ALA A 61 -4.968 2.791 4.894 1.00 74.41 H new ATOM 0 HB2 ALA A 61 -6.070 3.298 6.196 1.00 74.41 H new ATOM 0 HB3 ALA A 61 -4.908 4.459 5.512 1.00 74.41 H new ATOM 1019 N ARG A 62 -2.075 4.305 6.206 1.00 61.03 N ATOM 1020 CA ARG A 62 -0.728 4.558 5.671 1.00 12.03 C ATOM 1021 C ARG A 62 0.324 3.673 6.350 1.00 31.32 C ATOM 1022 O ARG A 62 0.964 2.847 5.706 1.00 24.44 O ATOM 1023 CB ARG A 62 -0.328 6.027 5.871 1.00 33.43 C ATOM 1024 CG ARG A 62 -1.320 7.045 5.319 1.00 32.33 C ATOM 1025 CD ARG A 62 -0.862 8.468 5.625 1.00 33.22 C ATOM 1026 NE ARG A 62 -1.856 9.475 5.268 1.00 24.33 N ATOM 1027 CZ ARG A 62 -2.028 10.590 5.929 1.00 21.52 C ATOM 1028 NH1 ARG A 62 -1.281 10.865 6.949 1.00 22.11 N ATOM 1029 NH2 ARG A 62 -2.934 11.437 5.559 1.00 21.21 N ATOM 0 H ARG A 62 -2.549 5.141 6.549 1.00 61.03 H new ATOM 0 HA ARG A 62 -0.763 4.322 4.607 1.00 12.03 H new ATOM 0 HB2 ARG A 62 -0.197 6.211 6.937 1.00 33.43 H new ATOM 0 HB3 ARG A 62 0.640 6.192 5.398 1.00 33.43 H new ATOM 0 HG2 ARG A 62 -1.421 6.914 4.242 1.00 32.33 H new ATOM 0 HG3 ARG A 62 -2.304 6.873 5.754 1.00 32.33 H new ATOM 0 HD2 ARG A 62 -0.635 8.550 6.688 1.00 33.22 H new ATOM 0 HD3 ARG A 62 0.063 8.670 5.085 1.00 33.22 H new ATOM 0 HE ARG A 62 -2.450 9.299 4.458 1.00 24.33 H new ATOM 0 HH11 ARG A 62 -0.555 10.211 7.240 1.00 22.11 H new ATOM 0 HH12 ARG A 62 -1.419 11.736 7.462 1.00 22.11 H new ATOM 0 HH21 ARG A 62 -3.519 11.236 4.748 1.00 21.21 H new ATOM 0 HH22 ARG A 62 -3.063 12.305 6.079 1.00 21.21 H new ATOM 1043 N GLU A 63 0.481 3.856 7.662 1.00 21.34 N ATOM 1044 CA GLU A 63 1.490 3.129 8.448 1.00 14.41 C ATOM 1045 C GLU A 63 1.420 1.608 8.233 1.00 22.43 C ATOM 1046 O GLU A 63 2.439 0.920 8.258 1.00 13.23 O ATOM 1047 CB GLU A 63 1.320 3.433 9.942 1.00 21.33 C ATOM 1048 CG GLU A 63 -0.050 3.049 10.494 1.00 32.34 C ATOM 1049 CD GLU A 63 -0.097 3.055 12.013 1.00 14.02 C ATOM 1050 OE1 GLU A 63 0.270 2.028 12.621 1.00 23.03 O ATOM 1051 OE2 GLU A 63 -0.502 4.080 12.603 1.00 31.52 O ATOM 0 H GLU A 63 -0.081 4.507 8.210 1.00 21.34 H new ATOM 0 HA GLU A 63 2.465 3.472 8.101 1.00 14.41 H new ATOM 0 HB2 GLU A 63 2.089 2.901 10.502 1.00 21.33 H new ATOM 0 HB3 GLU A 63 1.483 4.498 10.108 1.00 21.33 H new ATOM 0 HG2 GLU A 63 -0.799 3.742 10.109 1.00 32.34 H new ATOM 0 HG3 GLU A 63 -0.318 2.057 10.131 1.00 32.34 H new ATOM 1058 N ARG A 64 0.212 1.083 8.044 1.00 12.35 N ATOM 1059 CA ARG A 64 0.023 -0.359 7.859 1.00 43.10 C ATOM 1060 C ARG A 64 0.402 -0.800 6.437 1.00 61.42 C ATOM 1061 O ARG A 64 0.927 -1.896 6.238 1.00 21.45 O ATOM 1062 CB ARG A 64 -1.423 -0.750 8.204 1.00 42.31 C ATOM 1063 CG ARG A 64 -1.775 -0.469 9.666 1.00 24.33 C ATOM 1064 CD ARG A 64 -3.218 -0.830 10.009 1.00 10.23 C ATOM 1065 NE ARG A 64 -3.519 -0.553 11.417 1.00 72.20 N ATOM 1066 CZ ARG A 64 -4.553 -1.023 12.067 1.00 14.30 C ATOM 1067 NH1 ARG A 64 -5.430 -1.764 11.470 1.00 45.11 N ATOM 1068 NH2 ARG A 64 -4.710 -0.745 13.320 1.00 32.32 N ATOM 0 H ARG A 64 -0.649 1.629 8.014 1.00 12.35 H new ATOM 0 HA ARG A 64 0.693 -0.883 8.541 1.00 43.10 H new ATOM 0 HB2 ARG A 64 -2.108 -0.202 7.557 1.00 42.31 H new ATOM 0 HB3 ARG A 64 -1.568 -1.810 7.996 1.00 42.31 H new ATOM 0 HG2 ARG A 64 -1.101 -1.033 10.312 1.00 24.33 H new ATOM 0 HG3 ARG A 64 -1.610 0.587 9.878 1.00 24.33 H new ATOM 0 HD2 ARG A 64 -3.897 -0.264 9.372 1.00 10.23 H new ATOM 0 HD3 ARG A 64 -3.390 -1.886 9.800 1.00 10.23 H new ATOM 0 HE ARG A 64 -2.875 0.051 11.928 1.00 72.20 H new ATOM 0 HH11 ARG A 64 -5.320 -1.988 10.481 1.00 45.11 H new ATOM 0 HH12 ARG A 64 -6.231 -2.124 11.988 1.00 45.11 H new ATOM 0 HH21 ARG A 64 -4.028 -0.159 13.802 1.00 32.32 H new ATOM 0 HH22 ARG A 64 -5.516 -1.111 13.827 1.00 32.32 H new ATOM 1082 N VAL A 65 0.150 0.061 5.453 1.00 63.32 N ATOM 1083 CA VAL A 65 0.604 -0.179 4.076 1.00 42.00 C ATOM 1084 C VAL A 65 2.141 -0.080 3.989 1.00 23.44 C ATOM 1085 O VAL A 65 2.807 -0.953 3.423 1.00 4.14 O ATOM 1086 CB VAL A 65 -0.043 0.831 3.093 1.00 20.34 C ATOM 1087 CG1 VAL A 65 0.499 0.649 1.675 1.00 2.12 C ATOM 1088 CG2 VAL A 65 -1.565 0.692 3.109 1.00 34.51 C ATOM 0 H VAL A 65 -0.366 0.932 5.579 1.00 63.32 H new ATOM 0 HA VAL A 65 0.295 -1.185 3.794 1.00 42.00 H new ATOM 0 HB VAL A 65 0.219 1.836 3.423 1.00 20.34 H new ATOM 0 HG11 VAL A 65 0.026 1.371 1.009 1.00 2.12 H new ATOM 0 HG12 VAL A 65 1.578 0.807 1.675 1.00 2.12 H new ATOM 0 HG13 VAL A 65 0.280 -0.361 1.329 1.00 2.12 H new ATOM 0 HG21 VAL A 65 -2.003 1.408 2.414 1.00 34.51 H new ATOM 0 HG22 VAL A 65 -1.841 -0.319 2.810 1.00 34.51 H new ATOM 0 HG23 VAL A 65 -1.938 0.888 4.114 1.00 34.51 H new ATOM 1098 N GLU A 66 2.693 0.987 4.566 1.00 31.04 N ATOM 1099 CA GLU A 66 4.148 1.174 4.647 1.00 32.32 C ATOM 1100 C GLU A 66 4.818 -0.003 5.380 1.00 42.13 C ATOM 1101 O GLU A 66 5.922 -0.422 5.027 1.00 1.35 O ATOM 1102 CB GLU A 66 4.474 2.500 5.357 1.00 35.31 C ATOM 1103 CG GLU A 66 3.968 3.738 4.617 1.00 73.40 C ATOM 1104 CD GLU A 66 4.247 5.037 5.365 1.00 11.42 C ATOM 1105 OE1 GLU A 66 5.392 5.537 5.301 1.00 1.12 O ATOM 1106 OE2 GLU A 66 3.320 5.572 6.015 1.00 12.31 O ATOM 0 H GLU A 66 2.153 1.742 4.988 1.00 31.04 H new ATOM 0 HA GLU A 66 4.543 1.209 3.632 1.00 32.32 H new ATOM 0 HB2 GLU A 66 4.039 2.483 6.356 1.00 35.31 H new ATOM 0 HB3 GLU A 66 5.554 2.579 5.481 1.00 35.31 H new ATOM 0 HG2 GLU A 66 4.437 3.784 3.634 1.00 73.40 H new ATOM 0 HG3 GLU A 66 2.894 3.643 4.454 1.00 73.40 H new ATOM 1113 N ASN A 67 4.139 -0.534 6.399 1.00 12.40 N ATOM 1114 CA ASN A 67 4.632 -1.708 7.126 1.00 23.24 C ATOM 1115 C ASN A 67 4.766 -2.920 6.186 1.00 24.32 C ATOM 1116 O ASN A 67 5.756 -3.651 6.238 1.00 34.25 O ATOM 1117 CB ASN A 67 3.699 -2.051 8.295 1.00 4.32 C ATOM 1118 CG ASN A 67 4.269 -3.138 9.189 1.00 35.14 C ATOM 1119 OD1 ASN A 67 5.479 -3.246 9.355 1.00 52.44 O ATOM 1120 ND2 ASN A 67 3.414 -3.954 9.766 1.00 62.52 N ATOM 0 H ASN A 67 3.248 -0.172 6.740 1.00 12.40 H new ATOM 0 HA ASN A 67 5.618 -1.466 7.522 1.00 23.24 H new ATOM 0 HB2 ASN A 67 3.518 -1.154 8.888 1.00 4.32 H new ATOM 0 HB3 ASN A 67 2.734 -2.374 7.904 1.00 4.32 H new ATOM 0 HD21 ASN A 67 3.752 -4.702 10.371 1.00 62.52 H new ATOM 0 HD22 ASN A 67 2.413 -3.839 9.608 1.00 62.52 H new ATOM 1127 N ILE A 68 3.764 -3.121 5.324 1.00 42.04 N ATOM 1128 CA ILE A 68 3.808 -4.190 4.314 1.00 24.45 C ATOM 1129 C ILE A 68 5.032 -4.034 3.397 1.00 24.42 C ATOM 1130 O ILE A 68 5.635 -5.023 2.964 1.00 14.51 O ATOM 1131 CB ILE A 68 2.516 -4.212 3.454 1.00 33.05 C ATOM 1132 CG1 ILE A 68 1.282 -4.437 4.343 1.00 10.45 C ATOM 1133 CG2 ILE A 68 2.601 -5.292 2.375 1.00 51.45 C ATOM 1134 CD1 ILE A 68 -0.031 -4.411 3.584 1.00 12.12 C ATOM 0 H ILE A 68 2.913 -2.560 5.303 1.00 42.04 H new ATOM 0 HA ILE A 68 3.885 -5.135 4.853 1.00 24.45 H new ATOM 0 HB ILE A 68 2.418 -3.244 2.962 1.00 33.05 H new ATOM 0 HG12 ILE A 68 1.380 -5.398 4.848 1.00 10.45 H new ATOM 0 HG13 ILE A 68 1.259 -3.670 5.117 1.00 10.45 H new ATOM 0 HG21 ILE A 68 1.685 -5.289 1.784 1.00 51.45 H new ATOM 0 HG22 ILE A 68 3.452 -5.091 1.725 1.00 51.45 H new ATOM 0 HG23 ILE A 68 2.726 -6.267 2.845 1.00 51.45 H new ATOM 0 HD11 ILE A 68 -0.855 -4.577 4.277 1.00 12.12 H new ATOM 0 HD12 ILE A 68 -0.153 -3.442 3.101 1.00 12.12 H new ATOM 0 HD13 ILE A 68 -0.030 -5.196 2.828 1.00 12.12 H new ATOM 1146 N TYR A 69 5.396 -2.785 3.109 1.00 43.35 N ATOM 1147 CA TYR A 69 6.582 -2.490 2.300 1.00 71.23 C ATOM 1148 C TYR A 69 7.862 -2.915 3.034 1.00 32.42 C ATOM 1149 O TYR A 69 8.737 -3.550 2.451 1.00 2.42 O ATOM 1150 CB TYR A 69 6.630 -0.997 1.937 1.00 52.01 C ATOM 1151 CG TYR A 69 7.657 -0.658 0.870 1.00 32.21 C ATOM 1152 CD1 TYR A 69 7.597 -1.252 -0.386 1.00 34.33 C ATOM 1153 CD2 TYR A 69 8.684 0.249 1.115 1.00 21.43 C ATOM 1154 CE1 TYR A 69 8.527 -0.956 -1.362 1.00 71.44 C ATOM 1155 CE2 TYR A 69 9.618 0.552 0.140 1.00 14.22 C ATOM 1156 CZ TYR A 69 9.534 -0.054 -1.095 1.00 61.11 C ATOM 1157 OH TYR A 69 10.465 0.238 -2.067 1.00 43.33 O ATOM 0 H TYR A 69 4.887 -1.959 3.424 1.00 43.35 H new ATOM 0 HA TYR A 69 6.517 -3.064 1.376 1.00 71.23 H new ATOM 0 HB2 TYR A 69 5.644 -0.685 1.592 1.00 52.01 H new ATOM 0 HB3 TYR A 69 6.850 -0.421 2.836 1.00 52.01 H new ATOM 0 HD1 TYR A 69 6.808 -1.958 -0.602 1.00 34.33 H new ATOM 0 HD2 TYR A 69 8.753 0.724 2.082 1.00 21.43 H new ATOM 0 HE1 TYR A 69 8.466 -1.429 -2.331 1.00 71.44 H new ATOM 0 HE2 TYR A 69 10.408 1.259 0.346 1.00 14.22 H new ATOM 0 HH TYR A 69 10.054 0.144 -2.952 1.00 43.33 H new ATOM 1167 N LEU A 70 7.957 -2.586 4.324 1.00 53.32 N ATOM 1168 CA LEU A 70 9.089 -3.033 5.151 1.00 54.21 C ATOM 1169 C LEU A 70 9.178 -4.573 5.166 1.00 72.02 C ATOM 1170 O LEU A 70 10.263 -5.158 5.044 1.00 63.42 O ATOM 1171 CB LEU A 70 8.949 -2.494 6.582 1.00 61.02 C ATOM 1172 CG LEU A 70 8.908 -0.959 6.700 1.00 62.52 C ATOM 1173 CD1 LEU A 70 8.722 -0.530 8.153 1.00 4.43 C ATOM 1174 CD2 LEU A 70 10.172 -0.333 6.107 1.00 50.30 C ATOM 0 H LEU A 70 7.271 -2.016 4.819 1.00 53.32 H new ATOM 0 HA LEU A 70 10.008 -2.640 4.716 1.00 54.21 H new ATOM 0 HB2 LEU A 70 8.038 -2.901 7.020 1.00 61.02 H new ATOM 0 HB3 LEU A 70 9.783 -2.867 7.177 1.00 61.02 H new ATOM 0 HG LEU A 70 8.052 -0.600 6.129 1.00 62.52 H new ATOM 0 HD11 LEU A 70 8.696 0.558 8.211 1.00 4.43 H new ATOM 0 HD12 LEU A 70 7.785 -0.936 8.535 1.00 4.43 H new ATOM 0 HD13 LEU A 70 9.551 -0.905 8.752 1.00 4.43 H new ATOM 0 HD21 LEU A 70 10.120 0.752 6.202 1.00 50.30 H new ATOM 0 HD22 LEU A 70 11.047 -0.702 6.642 1.00 50.30 H new ATOM 0 HD23 LEU A 70 10.251 -0.602 5.054 1.00 50.30 H new ATOM 1186 N LYS A 71 8.018 -5.220 5.303 1.00 53.34 N ATOM 1187 CA LYS A 71 7.928 -6.680 5.186 1.00 72.23 C ATOM 1188 C LYS A 71 8.447 -7.140 3.815 1.00 2.13 C ATOM 1189 O LYS A 71 9.048 -8.208 3.690 1.00 71.15 O ATOM 1190 CB LYS A 71 6.474 -7.144 5.378 1.00 21.33 C ATOM 1191 CG LYS A 71 5.871 -6.758 6.727 1.00 1.12 C ATOM 1192 CD LYS A 71 4.387 -7.110 6.811 1.00 34.24 C ATOM 1193 CE LYS A 71 4.147 -8.617 6.785 1.00 20.05 C ATOM 1194 NZ LYS A 71 4.593 -9.282 8.040 1.00 52.13 N ATOM 0 H LYS A 71 7.129 -4.758 5.495 1.00 53.34 H new ATOM 0 HA LYS A 71 8.546 -7.126 5.965 1.00 72.23 H new ATOM 0 HB2 LYS A 71 5.860 -6.720 4.583 1.00 21.33 H new ATOM 0 HB3 LYS A 71 6.432 -8.228 5.270 1.00 21.33 H new ATOM 0 HG2 LYS A 71 6.411 -7.268 7.525 1.00 1.12 H new ATOM 0 HG3 LYS A 71 6.000 -5.688 6.889 1.00 1.12 H new ATOM 0 HD2 LYS A 71 3.968 -6.693 7.727 1.00 34.24 H new ATOM 0 HD3 LYS A 71 3.858 -6.646 5.979 1.00 34.24 H new ATOM 0 HE2 LYS A 71 3.085 -8.811 6.631 1.00 20.05 H new ATOM 0 HE3 LYS A 71 4.677 -9.052 5.938 1.00 20.05 H new ATOM 0 HZ1 LYS A 71 4.348 -10.292 8.003 1.00 52.13 H new ATOM 0 HZ2 LYS A 71 5.623 -9.179 8.141 1.00 52.13 H new ATOM 0 HZ3 LYS A 71 4.120 -8.841 8.854 1.00 52.13 H new ATOM 1208 N LEU A 72 8.213 -6.321 2.790 1.00 34.31 N ATOM 1209 CA LEU A 72 8.709 -6.600 1.441 1.00 73.01 C ATOM 1210 C LEU A 72 10.236 -6.444 1.370 1.00 4.23 C ATOM 1211 O LEU A 72 10.906 -7.230 0.709 1.00 3.35 O ATOM 1212 CB LEU A 72 8.032 -5.676 0.414 1.00 60.44 C ATOM 1213 CG LEU A 72 8.443 -5.905 -1.053 1.00 73.25 C ATOM 1214 CD1 LEU A 72 8.145 -7.339 -1.486 1.00 62.41 C ATOM 1215 CD2 LEU A 72 7.745 -4.900 -1.977 1.00 73.30 C ATOM 0 H LEU A 72 7.680 -5.455 2.868 1.00 34.31 H new ATOM 0 HA LEU A 72 8.460 -7.634 1.201 1.00 73.01 H new ATOM 0 HB2 LEU A 72 6.952 -5.801 0.495 1.00 60.44 H new ATOM 0 HB3 LEU A 72 8.254 -4.642 0.679 1.00 60.44 H new ATOM 0 HG LEU A 72 9.519 -5.747 -1.131 1.00 73.25 H new ATOM 0 HD11 LEU A 72 8.444 -7.475 -2.525 1.00 62.41 H new ATOM 0 HD12 LEU A 72 8.701 -8.033 -0.855 1.00 62.41 H new ATOM 0 HD13 LEU A 72 7.077 -7.534 -1.387 1.00 62.41 H new ATOM 0 HD21 LEU A 72 8.050 -5.081 -3.008 1.00 73.30 H new ATOM 0 HD22 LEU A 72 6.665 -5.018 -1.893 1.00 73.30 H new ATOM 0 HD23 LEU A 72 8.023 -3.886 -1.689 1.00 73.30 H new ATOM 1227 N GLN A 73 10.787 -5.435 2.058 1.00 73.00 N ATOM 1228 CA GLN A 73 12.248 -5.240 2.104 1.00 21.24 C ATOM 1229 C GLN A 73 12.976 -6.515 2.547 1.00 54.35 C ATOM 1230 O GLN A 73 13.904 -6.969 1.878 1.00 22.03 O ATOM 1231 CB GLN A 73 12.642 -4.071 3.030 1.00 13.31 C ATOM 1232 CG GLN A 73 12.721 -2.713 2.331 1.00 30.43 C ATOM 1233 CD GLN A 73 11.374 -2.205 1.863 1.00 33.43 C ATOM 1234 OE1 GLN A 73 10.676 -1.510 2.588 1.00 30.43 O ATOM 1235 NE2 GLN A 73 11.003 -2.536 0.642 1.00 74.13 N ATOM 0 H GLN A 73 10.252 -4.746 2.586 1.00 73.00 H new ATOM 0 HA GLN A 73 12.557 -4.996 1.087 1.00 21.24 H new ATOM 0 HB2 GLN A 73 11.918 -4.007 3.842 1.00 13.31 H new ATOM 0 HB3 GLN A 73 13.609 -4.291 3.482 1.00 13.31 H new ATOM 0 HG2 GLN A 73 13.160 -1.985 3.014 1.00 30.43 H new ATOM 0 HG3 GLN A 73 13.391 -2.791 1.474 1.00 30.43 H new ATOM 0 HE21 GLN A 73 11.610 -3.117 0.064 1.00 74.13 H new ATOM 0 HE22 GLN A 73 10.109 -2.211 0.275 1.00 74.13 H new