USER MOD reduce.3.24.130724 H: found=0, std=0, add=644, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 641 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 67 LYS NZ :NH3+ -174:sc= 0.0903 (180deg=-0.223) USER MOD Set 1.2: A 89 THR OG1 : rot 21:sc= 0.148! USER MOD Set 1.3: A 91 ASN : amide:sc= -0.0937 K(o=0.14,f=-8.1!) USER MOD Single : A 20 THR OG1 : rot -100:sc= -1.25 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00216) USER MOD Single : A 34 SER OG : rot -57:sc= -0.464 USER MOD Single : A 36 SER OG : rot 179:sc= 0.208 USER MOD Single : A 38 ASN : amide:sc= -2.55! K(o=-2.6!,f=-3.1) USER MOD Single : A 39 ASN : amide:sc= -0.221 K(o=-0.22,f=-2.3!) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc=-0.000997 USER MOD Single : A 43 LYS NZ :NH3+ 150:sc= -0.166 (180deg=-0.751) USER MOD Single : A 48 LYS NZ :NH3+ -136:sc= 1.86 (180deg=1.26) USER MOD Single : A 49 SER OG : rot 180:sc= 0.0287 USER MOD Single : A 50 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 HIS :FLIP no HE2:sc= -0.624 F(o=-2.2,f=-0.62) USER MOD Single : A 65 GLN : amide:sc= -1.45 K(o=-1.4,f=-6.4!) USER MOD Single : A 66 TYR OH : rot -68:sc= 1.22 USER MOD Single : A 73 GLN : amide:sc= -0.499 X(o=-0.5,f=-0.32) USER MOD Single : A 76 HIS :FLIP no HD1:sc= -0.713 F(o=-1.8!,f=-0.71) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= -0.267 X(o=-0.27,f=-0.27) USER MOD Single : A 92 ASN : amide:sc= -2.34 X(o=-2.3,f=-1.9!) USER MOD Single : A 95 HIS : no HE2:sc= -2.01 K(o=-2,f=-5.6!) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 166:sc= 0.765 (180deg=0.366) USER MOD ----------------------------------------------------------------- ATOM 243 N ARG A 18 7.637 37.952 8.395 1.00 33.52 N ATOM 244 CA ARG A 18 7.623 37.148 9.612 1.00 13.22 C ATOM 245 C ARG A 18 7.177 35.719 9.315 1.00 32.13 C ATOM 246 O ARG A 18 6.010 35.456 9.025 1.00 45.04 O ATOM 247 CB ARG A 18 6.697 37.777 10.654 1.00 74.21 C ATOM 248 CG ARG A 18 7.073 37.437 12.088 1.00 51.14 C ATOM 249 CD ARG A 18 6.405 36.151 12.548 1.00 72.54 C ATOM 250 NE ARG A 18 6.584 35.924 13.980 1.00 24.34 N ATOM 251 CZ ARG A 18 5.993 34.940 14.647 1.00 34.35 C ATOM 252 NH1 ARG A 18 5.191 34.093 14.015 1.00 13.44 N1+ ATOM 253 NH2 ARG A 18 6.204 34.798 15.949 1.00 44.41 N ATOM 0 HA ARG A 18 8.638 37.118 10.009 1.00 13.22 H new ATOM 0 HB2 ARG A 18 6.709 38.860 10.531 1.00 74.21 H new ATOM 0 HB3 ARG A 18 5.675 37.446 10.467 1.00 74.21 H new ATOM 0 HG2 ARG A 18 8.155 37.335 12.167 1.00 51.14 H new ATOM 0 HG3 ARG A 18 6.781 38.256 12.746 1.00 51.14 H new ATOM 0 HD2 ARG A 18 5.340 36.193 12.318 1.00 72.54 H new ATOM 0 HD3 ARG A 18 6.818 35.309 11.993 1.00 72.54 H new ATOM 0 HE ARG A 18 7.197 36.556 14.496 1.00 24.34 H new ATOM 0 HH11 ARG A 18 5.027 34.197 13.014 1.00 13.44 H new ATOM 0 HH12 ARG A 18 4.738 33.338 14.530 1.00 13.44 H new ATOM 0 HH21 ARG A 18 6.821 35.445 16.439 1.00 44.41 H new ATOM 0 HH22 ARG A 18 5.749 34.041 16.460 1.00 44.41 H new ATOM 267 N PRO A 19 8.127 34.775 9.388 1.00 42.30 N ATOM 268 CA PRO A 19 7.855 33.359 9.130 1.00 72.54 C ATOM 269 C PRO A 19 7.002 32.723 10.223 1.00 40.44 C ATOM 270 O PRO A 19 7.241 32.934 11.413 1.00 14.01 O ATOM 271 CB PRO A 19 9.249 32.728 9.106 1.00 10.11 C ATOM 272 CG PRO A 19 10.089 33.635 9.938 1.00 63.22 C ATOM 273 CD PRO A 19 9.539 35.019 9.727 1.00 44.21 C ATOM 0 HA PRO A 19 7.291 33.215 8.209 1.00 72.54 H new ATOM 0 HB2 PRO A 19 9.233 31.717 9.514 1.00 10.11 H new ATOM 0 HB3 PRO A 19 9.633 32.655 8.089 1.00 10.11 H new ATOM 0 HG2 PRO A 19 10.043 33.353 10.990 1.00 63.22 H new ATOM 0 HG3 PRO A 19 11.136 33.581 9.639 1.00 63.22 H new ATOM 0 HD2 PRO A 19 9.637 35.632 10.623 1.00 44.21 H new ATOM 0 HD3 PRO A 19 10.061 35.541 8.925 1.00 44.21 H new ATOM 281 N THR A 20 6.006 31.945 9.813 1.00 65.22 N ATOM 282 CA THR A 20 5.117 31.279 10.757 1.00 1.42 C ATOM 283 C THR A 20 5.307 29.768 10.720 1.00 44.04 C ATOM 284 O THR A 20 5.205 29.144 9.664 1.00 14.52 O ATOM 285 CB THR A 20 3.640 31.606 10.464 1.00 74.14 C ATOM 286 OG1 THR A 20 3.430 33.021 10.529 1.00 14.13 O ATOM 287 CG2 THR A 20 2.724 30.907 11.457 1.00 21.30 C ATOM 0 H THR A 20 5.794 31.760 8.832 1.00 65.22 H new ATOM 0 HA THR A 20 5.375 31.650 11.749 1.00 1.42 H new ATOM 0 HB THR A 20 3.403 31.249 9.462 1.00 74.14 H new ATOM 0 HG1 THR A 20 3.034 33.254 11.395 1.00 14.13 H new ATOM 0 HG21 THR A 20 1.687 31.153 11.230 1.00 21.30 H new ATOM 0 HG22 THR A 20 2.865 29.829 11.386 1.00 21.30 H new ATOM 0 HG23 THR A 20 2.963 31.238 12.468 1.00 21.30 H new ATOM 295 N VAL A 21 5.585 29.182 11.881 1.00 72.24 N ATOM 296 CA VAL A 21 5.788 27.742 11.982 1.00 21.13 C ATOM 297 C VAL A 21 4.560 27.053 12.565 1.00 13.22 C ATOM 298 O VAL A 21 4.110 27.387 13.661 1.00 54.24 O ATOM 299 CB VAL A 21 7.013 27.408 12.854 1.00 64.20 C ATOM 300 CG1 VAL A 21 6.881 28.047 14.227 1.00 41.02 C ATOM 301 CG2 VAL A 21 7.187 25.901 12.973 1.00 62.22 C ATOM 0 H VAL A 21 5.675 29.683 12.765 1.00 72.24 H new ATOM 0 HA VAL A 21 5.960 27.375 10.970 1.00 21.13 H new ATOM 0 HB VAL A 21 7.902 27.817 12.373 1.00 64.20 H new ATOM 0 HG11 VAL A 21 7.756 27.800 14.829 1.00 41.02 H new ATOM 0 HG12 VAL A 21 6.809 29.129 14.119 1.00 41.02 H new ATOM 0 HG13 VAL A 21 5.984 27.671 14.719 1.00 41.02 H new ATOM 0 HG21 VAL A 21 8.057 25.683 13.592 1.00 62.22 H new ATOM 0 HG22 VAL A 21 6.298 25.467 13.431 1.00 62.22 H new ATOM 0 HG23 VAL A 21 7.331 25.472 11.981 1.00 62.22 H new ATOM 311 N ILE A 22 4.021 26.089 11.826 1.00 3.43 N ATOM 312 CA ILE A 22 2.846 25.352 12.270 1.00 12.44 C ATOM 313 C ILE A 22 3.212 23.930 12.685 1.00 32.43 C ATOM 314 O ILE A 22 4.128 23.326 12.125 1.00 24.12 O ATOM 315 CB ILE A 22 1.769 25.292 11.171 1.00 33.05 C ATOM 316 CG1 ILE A 22 1.529 26.686 10.587 1.00 70.13 C ATOM 317 CG2 ILE A 22 0.476 24.714 11.726 1.00 52.15 C ATOM 318 CD1 ILE A 22 0.503 26.705 9.474 1.00 60.50 C ATOM 0 H ILE A 22 4.380 25.800 10.916 1.00 3.43 H new ATOM 0 HA ILE A 22 2.446 25.888 13.131 1.00 12.44 H new ATOM 0 HB ILE A 22 2.121 24.639 10.372 1.00 33.05 H new ATOM 0 HG12 ILE A 22 1.202 27.354 11.384 1.00 70.13 H new ATOM 0 HG13 ILE A 22 2.472 27.080 10.208 1.00 70.13 H new ATOM 0 HG21 ILE A 22 -0.275 24.678 10.937 1.00 52.15 H new ATOM 0 HG22 ILE A 22 0.659 23.706 12.099 1.00 52.15 H new ATOM 0 HG23 ILE A 22 0.117 25.343 12.541 1.00 52.15 H new ATOM 0 HD11 ILE A 22 0.383 27.724 9.107 1.00 60.50 H new ATOM 0 HD12 ILE A 22 0.838 26.063 8.659 1.00 60.50 H new ATOM 0 HD13 ILE A 22 -0.452 26.341 9.853 1.00 60.50 H new ATOM 330 N ARG A 23 2.490 23.402 13.668 1.00 11.32 N ATOM 331 CA ARG A 23 2.739 22.052 14.157 1.00 71.41 C ATOM 332 C ARG A 23 1.603 21.112 13.761 1.00 72.25 C ATOM 333 O ARG A 23 0.468 21.544 13.564 1.00 15.13 O ATOM 334 CB ARG A 23 2.902 22.059 15.678 1.00 10.01 C ATOM 335 CG ARG A 23 3.692 20.875 16.211 1.00 51.15 C ATOM 336 CD ARG A 23 4.474 21.244 17.462 1.00 13.14 C ATOM 337 NE ARG A 23 4.748 20.081 18.301 1.00 73.24 N ATOM 338 CZ ARG A 23 5.591 20.096 19.328 1.00 1.22 C ATOM 339 NH1 ARG A 23 6.239 21.210 19.640 1.00 61.23 N1+ ATOM 340 NH2 ARG A 23 5.786 18.997 20.044 1.00 60.42 N ATOM 0 H ARG A 23 1.728 23.889 14.141 1.00 11.32 H new ATOM 0 HA ARG A 23 3.661 21.692 13.701 1.00 71.41 H new ATOM 0 HB2 ARG A 23 3.400 22.981 15.977 1.00 10.01 H new ATOM 0 HB3 ARG A 23 1.915 22.064 16.141 1.00 10.01 H new ATOM 0 HG2 ARG A 23 3.011 20.054 16.435 1.00 51.15 H new ATOM 0 HG3 ARG A 23 4.379 20.519 15.443 1.00 51.15 H new ATOM 0 HD2 ARG A 23 5.415 21.714 17.175 1.00 13.14 H new ATOM 0 HD3 ARG A 23 3.912 21.981 18.036 1.00 13.14 H new ATOM 0 HE ARG A 23 4.265 19.208 18.087 1.00 73.24 H new ATOM 0 HH11 ARG A 23 6.091 22.057 19.091 1.00 61.23 H new ATOM 0 HH12 ARG A 23 6.886 21.220 20.429 1.00 61.23 H new ATOM 0 HH21 ARG A 23 5.289 18.139 19.807 1.00 60.42 H new ATOM 0 HH22 ARG A 23 6.433 19.010 20.832 1.00 60.42 H new ATOM 354 N TRP A 24 1.919 19.827 13.646 1.00 3.23 N ATOM 355 CA TRP A 24 0.925 18.827 13.274 1.00 15.23 C ATOM 356 C TRP A 24 1.100 17.554 14.093 1.00 63.45 C ATOM 357 O TRP A 24 2.204 17.020 14.199 1.00 54.01 O ATOM 358 CB TRP A 24 1.029 18.506 11.782 1.00 72.25 C ATOM 359 CG TRP A 24 0.203 17.326 11.369 1.00 3.34 C ATOM 360 CD1 TRP A 24 0.643 16.050 11.160 1.00 34.04 C ATOM 361 CD2 TRP A 24 -1.206 17.313 11.114 1.00 1.53 C ATOM 362 NE1 TRP A 24 -0.408 15.245 10.790 1.00 1.41 N ATOM 363 CE2 TRP A 24 -1.553 15.995 10.755 1.00 15.10 C ATOM 364 CE3 TRP A 24 -2.209 18.285 11.156 1.00 14.44 C ATOM 365 CZ2 TRP A 24 -2.858 15.629 10.440 1.00 13.31 C ATOM 366 CZ3 TRP A 24 -3.504 17.920 10.841 1.00 61.15 C ATOM 367 CH2 TRP A 24 -3.820 16.602 10.489 1.00 33.23 C ATOM 0 H TRP A 24 2.855 19.453 13.805 1.00 3.23 H new ATOM 0 HA TRP A 24 -0.063 19.238 13.483 1.00 15.23 H new ATOM 0 HB2 TRP A 24 0.716 19.378 11.208 1.00 72.25 H new ATOM 0 HB3 TRP A 24 2.072 18.316 11.531 1.00 72.25 H new ATOM 0 HD1 TRP A 24 1.666 15.722 11.269 1.00 34.04 H new ATOM 0 HE1 TRP A 24 -0.345 14.250 10.576 1.00 1.41 H new ATOM 0 HE3 TRP A 24 -1.976 19.303 11.430 1.00 14.44 H new ATOM 0 HZ2 TRP A 24 -3.103 14.613 10.167 1.00 13.31 H new ATOM 0 HZ3 TRP A 24 -4.286 18.664 10.867 1.00 61.15 H new ATOM 0 HH2 TRP A 24 -4.843 16.348 10.252 1.00 33.23 H new ATOM 378 N SER A 25 0.005 17.071 14.671 1.00 32.42 N ATOM 379 CA SER A 25 0.039 15.861 15.485 1.00 61.31 C ATOM 380 C SER A 25 -1.018 14.864 15.021 1.00 1.43 C ATOM 381 O SER A 25 -2.214 15.153 15.052 1.00 0.20 O ATOM 382 CB SER A 25 -0.181 16.207 16.959 1.00 74.14 C ATOM 383 OG SER A 25 -0.227 15.035 17.756 1.00 11.02 O ATOM 0 H SER A 25 -0.917 17.499 14.591 1.00 32.42 H new ATOM 0 HA SER A 25 1.021 15.402 15.369 1.00 61.31 H new ATOM 0 HB2 SER A 25 0.622 16.856 17.307 1.00 74.14 H new ATOM 0 HB3 SER A 25 -1.112 16.763 17.070 1.00 74.14 H new ATOM 0 HG SER A 25 -0.367 15.282 18.694 1.00 11.02 H new ATOM 389 N GLU A 26 -0.567 13.691 14.590 1.00 53.04 N ATOM 390 CA GLU A 26 -1.474 12.650 14.118 1.00 60.10 C ATOM 391 C GLU A 26 -0.773 11.296 14.074 1.00 74.23 C ATOM 392 O GLU A 26 -1.329 10.283 14.497 1.00 22.33 O ATOM 393 CB GLU A 26 -2.012 13.004 12.729 1.00 62.15 C ATOM 394 CG GLU A 26 -3.350 12.359 12.413 1.00 12.22 C ATOM 395 CD GLU A 26 -4.408 12.668 13.456 1.00 34.13 C ATOM 396 OE1 GLU A 26 -4.587 13.860 13.783 1.00 61.43 O ATOM 397 OE2 GLU A 26 -5.056 11.719 13.945 1.00 23.12 O1- ATOM 0 H GLU A 26 0.420 13.437 14.558 1.00 53.04 H new ATOM 0 HA GLU A 26 -2.307 12.585 14.818 1.00 60.10 H new ATOM 0 HB2 GLU A 26 -2.113 14.087 12.653 1.00 62.15 H new ATOM 0 HB3 GLU A 26 -1.284 12.698 11.978 1.00 62.15 H new ATOM 0 HG2 GLU A 26 -3.694 12.704 11.438 1.00 12.22 H new ATOM 0 HG3 GLU A 26 -3.221 11.279 12.341 1.00 12.22 H new ATOM 404 N GLY A 27 0.453 11.286 13.559 1.00 15.14 N ATOM 405 CA GLY A 27 1.210 10.053 13.468 1.00 4.13 C ATOM 406 C GLY A 27 1.290 9.523 12.050 1.00 73.25 C ATOM 407 O GLY A 27 1.164 8.322 11.820 1.00 40.05 O ATOM 0 H GLY A 27 0.935 12.111 13.203 1.00 15.14 H new ATOM 0 HA2 GLY A 27 2.218 10.221 13.847 1.00 4.13 H new ATOM 0 HA3 GLY A 27 0.750 9.300 14.108 1.00 4.13 H new ATOM 411 N GLY A 28 1.498 10.425 11.094 1.00 1.41 N ATOM 412 CA GLY A 28 1.588 10.023 9.703 1.00 61.23 C ATOM 413 C GLY A 28 3.022 9.897 9.228 1.00 31.04 C ATOM 414 O GLY A 28 3.959 10.194 9.970 1.00 11.20 O ATOM 0 H GLY A 28 1.606 11.426 11.259 1.00 1.41 H new ATOM 0 HA2 GLY A 28 1.079 9.068 9.570 1.00 61.23 H new ATOM 0 HA3 GLY A 28 1.066 10.751 9.083 1.00 61.23 H new ATOM 418 N LYS A 29 3.195 9.452 7.988 1.00 2.02 N ATOM 419 CA LYS A 29 4.525 9.286 7.414 1.00 70.24 C ATOM 420 C LYS A 29 4.868 10.450 6.488 1.00 44.33 C ATOM 421 O LYS A 29 6.025 10.855 6.390 1.00 44.34 O ATOM 422 CB LYS A 29 4.609 7.967 6.643 1.00 33.13 C ATOM 423 CG LYS A 29 3.478 7.770 5.648 1.00 54.20 C ATOM 424 CD LYS A 29 2.495 6.713 6.123 1.00 2.42 C ATOM 425 CE LYS A 29 2.899 5.324 5.649 1.00 32.15 C ATOM 426 NZ LYS A 29 2.547 5.102 4.219 1.00 31.05 N1+ ATOM 0 H LYS A 29 2.431 9.200 7.361 1.00 2.02 H new ATOM 0 HA LYS A 29 5.246 9.270 8.231 1.00 70.24 H new ATOM 0 HB2 LYS A 29 5.560 7.926 6.112 1.00 33.13 H new ATOM 0 HB3 LYS A 29 4.605 7.140 7.353 1.00 33.13 H new ATOM 0 HG2 LYS A 29 2.954 8.714 5.499 1.00 54.20 H new ATOM 0 HG3 LYS A 29 3.889 7.478 4.682 1.00 54.20 H new ATOM 0 HD2 LYS A 29 2.442 6.726 7.212 1.00 2.42 H new ATOM 0 HD3 LYS A 29 1.497 6.949 5.753 1.00 2.42 H new ATOM 0 HE2 LYS A 29 3.973 5.192 5.783 1.00 32.15 H new ATOM 0 HE3 LYS A 29 2.406 4.572 6.265 1.00 32.15 H new ATOM 0 HZ1 LYS A 29 2.792 4.128 3.948 1.00 31.05 H new ATOM 0 HZ2 LYS A 29 1.527 5.252 4.085 1.00 31.05 H new ATOM 0 HZ3 LYS A 29 3.076 5.770 3.623 1.00 31.05 H new ATOM 440 N GLU A 30 3.854 10.983 5.815 1.00 70.41 N ATOM 441 CA GLU A 30 4.049 12.101 4.899 1.00 31.12 C ATOM 442 C GLU A 30 3.040 13.212 5.174 1.00 62.13 C ATOM 443 O GLU A 30 1.832 13.018 5.032 1.00 50.04 O ATOM 444 CB GLU A 30 3.924 11.629 3.449 1.00 52.54 C ATOM 445 CG GLU A 30 2.719 10.737 3.201 1.00 64.11 C ATOM 446 CD GLU A 30 2.679 10.191 1.787 1.00 64.32 C ATOM 447 OE1 GLU A 30 2.827 10.991 0.839 1.00 41.54 O ATOM 448 OE2 GLU A 30 2.497 8.966 1.628 1.00 24.13 O1- ATOM 0 H GLU A 30 2.889 10.659 5.886 1.00 70.41 H new ATOM 0 HA GLU A 30 5.052 12.498 5.058 1.00 31.12 H new ATOM 0 HB2 GLU A 30 3.861 12.500 2.796 1.00 52.54 H new ATOM 0 HB3 GLU A 30 4.829 11.088 3.173 1.00 52.54 H new ATOM 0 HG2 GLU A 30 2.735 9.907 3.907 1.00 64.11 H new ATOM 0 HG3 GLU A 30 1.807 11.302 3.394 1.00 64.11 H new ATOM 455 N VAL A 31 3.543 14.377 5.568 1.00 74.14 N ATOM 456 CA VAL A 31 2.687 15.519 5.861 1.00 50.44 C ATOM 457 C VAL A 31 3.099 16.740 5.046 1.00 42.45 C ATOM 458 O VAL A 31 4.287 16.986 4.836 1.00 5.15 O ATOM 459 CB VAL A 31 2.725 15.880 7.359 1.00 42.23 C ATOM 460 CG1 VAL A 31 1.671 16.928 7.683 1.00 75.11 C ATOM 461 CG2 VAL A 31 2.530 14.635 8.211 1.00 3.42 C ATOM 0 H VAL A 31 4.540 14.555 5.692 1.00 74.14 H new ATOM 0 HA VAL A 31 1.672 15.230 5.589 1.00 50.44 H new ATOM 0 HB VAL A 31 3.704 16.301 7.589 1.00 42.23 H new ATOM 0 HG11 VAL A 31 1.713 17.170 8.745 1.00 75.11 H new ATOM 0 HG12 VAL A 31 1.861 17.828 7.098 1.00 75.11 H new ATOM 0 HG13 VAL A 31 0.683 16.538 7.439 1.00 75.11 H new ATOM 0 HG21 VAL A 31 2.560 14.908 9.266 1.00 3.42 H new ATOM 0 HG22 VAL A 31 1.565 14.183 7.980 1.00 3.42 H new ATOM 0 HG23 VAL A 31 3.325 13.921 7.999 1.00 3.42 H new ATOM 471 N PHE A 32 2.111 17.501 4.590 1.00 3.30 N ATOM 472 CA PHE A 32 2.371 18.697 3.796 1.00 33.30 C ATOM 473 C PHE A 32 1.412 19.822 4.177 1.00 0.43 C ATOM 474 O PHE A 32 0.485 19.621 4.963 1.00 64.31 O ATOM 475 CB PHE A 32 2.240 18.384 2.304 1.00 54.22 C ATOM 476 CG PHE A 32 2.992 17.153 1.882 1.00 44.23 C ATOM 477 CD1 PHE A 32 2.400 15.903 1.957 1.00 61.04 C ATOM 478 CD2 PHE A 32 4.292 17.248 1.411 1.00 31.12 C ATOM 479 CE1 PHE A 32 3.089 14.770 1.568 1.00 62.11 C ATOM 480 CE2 PHE A 32 4.985 16.118 1.021 1.00 15.41 C ATOM 481 CZ PHE A 32 4.384 14.877 1.101 1.00 40.11 C ATOM 0 H PHE A 32 1.123 17.312 4.756 1.00 3.30 H new ATOM 0 HA PHE A 32 3.390 19.025 4.003 1.00 33.30 H new ATOM 0 HB2 PHE A 32 1.186 18.258 2.058 1.00 54.22 H new ATOM 0 HB3 PHE A 32 2.602 19.236 1.729 1.00 54.22 H new ATOM 0 HD1 PHE A 32 1.388 15.813 2.324 1.00 61.04 H new ATOM 0 HD2 PHE A 32 4.768 18.215 1.348 1.00 31.12 H new ATOM 0 HE1 PHE A 32 2.615 13.802 1.629 1.00 62.11 H new ATOM 0 HE2 PHE A 32 5.997 16.205 0.654 1.00 15.41 H new ATOM 0 HZ PHE A 32 4.926 13.993 0.799 1.00 40.11 H new ATOM 491 N ILE A 33 1.643 21.003 3.614 1.00 13.34 N ATOM 492 CA ILE A 33 0.800 22.159 3.894 1.00 72.44 C ATOM 493 C ILE A 33 0.622 23.023 2.651 1.00 11.41 C ATOM 494 O ILE A 33 1.522 23.122 1.817 1.00 13.30 O ATOM 495 CB ILE A 33 1.387 23.023 5.026 1.00 15.35 C ATOM 496 CG1 ILE A 33 0.434 24.169 5.370 1.00 53.51 C ATOM 497 CG2 ILE A 33 2.751 23.564 4.627 1.00 11.24 C ATOM 498 CD1 ILE A 33 0.780 24.878 6.661 1.00 0.14 C ATOM 0 H ILE A 33 2.406 21.185 2.962 1.00 13.34 H new ATOM 0 HA ILE A 33 -0.170 21.773 4.208 1.00 72.44 H new ATOM 0 HB ILE A 33 1.510 22.399 5.911 1.00 15.35 H new ATOM 0 HG12 ILE A 33 0.440 24.893 4.555 1.00 53.51 H new ATOM 0 HG13 ILE A 33 -0.581 23.778 5.441 1.00 53.51 H new ATOM 0 HG21 ILE A 33 3.152 24.172 5.437 1.00 11.24 H new ATOM 0 HG22 ILE A 33 3.428 22.733 4.427 1.00 11.24 H new ATOM 0 HG23 ILE A 33 2.652 24.175 3.730 1.00 11.24 H new ATOM 0 HD11 ILE A 33 0.062 25.678 6.840 1.00 0.14 H new ATOM 0 HD12 ILE A 33 0.745 24.167 7.487 1.00 0.14 H new ATOM 0 HD13 ILE A 33 1.782 25.300 6.587 1.00 0.14 H new ATOM 510 N SER A 34 -0.543 23.651 2.534 1.00 74.21 N ATOM 511 CA SER A 34 -0.841 24.507 1.391 1.00 21.11 C ATOM 512 C SER A 34 -1.994 25.454 1.708 1.00 75.54 C ATOM 513 O SER A 34 -2.924 25.098 2.429 1.00 75.43 O ATOM 514 CB SER A 34 -1.185 23.657 0.167 1.00 25.35 C ATOM 515 OG SER A 34 -0.036 23.419 -0.629 1.00 52.43 O ATOM 0 H SER A 34 -1.297 23.583 3.217 1.00 74.21 H new ATOM 0 HA SER A 34 0.045 25.103 1.173 1.00 21.11 H new ATOM 0 HB2 SER A 34 -1.611 22.707 0.489 1.00 25.35 H new ATOM 0 HB3 SER A 34 -1.945 24.162 -0.428 1.00 25.35 H new ATOM 0 HG SER A 34 0.361 24.275 -0.895 1.00 52.43 H new ATOM 521 N GLY A 35 -1.925 26.664 1.160 1.00 54.31 N ATOM 522 CA GLY A 35 -2.968 27.645 1.395 1.00 42.32 C ATOM 523 C GLY A 35 -2.854 28.844 0.475 1.00 45.21 C ATOM 524 O GLY A 35 -2.161 28.792 -0.541 1.00 21.03 O ATOM 0 H GLY A 35 -1.166 26.982 0.558 1.00 54.31 H new ATOM 0 HA2 GLY A 35 -3.942 27.176 1.256 1.00 42.32 H new ATOM 0 HA3 GLY A 35 -2.921 27.980 2.431 1.00 42.32 H new ATOM 528 N SER A 36 -3.537 29.927 0.830 1.00 75.24 N ATOM 529 CA SER A 36 -3.514 31.143 0.025 1.00 34.33 C ATOM 530 C SER A 36 -2.124 31.774 0.034 1.00 71.13 C ATOM 531 O SER A 36 -1.814 32.631 -0.793 1.00 4.31 O ATOM 532 CB SER A 36 -4.544 32.147 0.549 1.00 65.34 C ATOM 533 OG SER A 36 -4.317 32.444 1.916 1.00 13.12 O ATOM 0 H SER A 36 -4.113 29.988 1.670 1.00 75.24 H new ATOM 0 HA SER A 36 -3.767 30.875 -1.001 1.00 34.33 H new ATOM 0 HB2 SER A 36 -4.495 33.064 -0.039 1.00 65.34 H new ATOM 0 HB3 SER A 36 -5.548 31.742 0.424 1.00 65.34 H new ATOM 0 HG SER A 36 -4.977 33.101 2.222 1.00 13.12 H new ATOM 539 N PHE A 37 -1.291 31.343 0.976 1.00 23.10 N ATOM 540 CA PHE A 37 0.065 31.864 1.094 1.00 11.12 C ATOM 541 C PHE A 37 0.947 31.348 -0.039 1.00 50.51 C ATOM 542 O PHE A 37 1.970 31.947 -0.366 1.00 73.12 O ATOM 543 CB PHE A 37 0.669 31.472 2.443 1.00 22.03 C ATOM 544 CG PHE A 37 0.786 29.987 2.640 1.00 62.52 C ATOM 545 CD1 PHE A 37 1.907 29.304 2.198 1.00 4.33 C ATOM 546 CD2 PHE A 37 -0.224 29.276 3.267 1.00 1.14 C ATOM 547 CE1 PHE A 37 2.017 27.938 2.376 1.00 63.12 C ATOM 548 CE2 PHE A 37 -0.119 27.910 3.449 1.00 24.12 C ATOM 549 CZ PHE A 37 1.004 27.240 3.004 1.00 45.15 C ATOM 0 H PHE A 37 -1.532 30.634 1.669 1.00 23.10 H new ATOM 0 HA PHE A 37 0.016 32.951 1.027 1.00 11.12 H new ATOM 0 HB2 PHE A 37 1.658 31.921 2.533 1.00 22.03 H new ATOM 0 HB3 PHE A 37 0.055 31.889 3.242 1.00 22.03 H new ATOM 0 HD1 PHE A 37 2.704 29.845 1.709 1.00 4.33 H new ATOM 0 HD2 PHE A 37 -1.104 29.795 3.618 1.00 1.14 H new ATOM 0 HE1 PHE A 37 2.895 27.416 2.024 1.00 63.12 H new ATOM 0 HE2 PHE A 37 -0.914 27.367 3.939 1.00 24.12 H new ATOM 0 HZ PHE A 37 1.090 26.173 3.147 1.00 45.15 H new ATOM 559 N ASN A 38 0.541 30.231 -0.635 1.00 22.03 N ATOM 560 CA ASN A 38 1.295 29.633 -1.731 1.00 73.21 C ATOM 561 C ASN A 38 0.416 29.464 -2.967 1.00 65.12 C ATOM 562 O ASN A 38 0.740 28.695 -3.872 1.00 33.34 O ATOM 563 CB ASN A 38 1.862 28.276 -1.307 1.00 74.54 C ATOM 564 CG ASN A 38 3.229 28.010 -1.905 1.00 31.23 C ATOM 565 OD1 ASN A 38 4.229 27.934 -1.189 1.00 32.13 O ATOM 566 ND2 ASN A 38 3.281 27.866 -3.224 1.00 70.32 N ATOM 0 H ASN A 38 -0.305 29.722 -0.378 1.00 22.03 H new ATOM 0 HA ASN A 38 2.118 30.302 -1.980 1.00 73.21 H new ATOM 0 HB2 ASN A 38 1.930 28.237 -0.220 1.00 74.54 H new ATOM 0 HB3 ASN A 38 1.175 27.487 -1.612 1.00 74.54 H new ATOM 0 HD21 ASN A 38 4.174 27.685 -3.682 1.00 70.32 H new ATOM 0 HD22 ASN A 38 2.428 27.937 -3.779 1.00 70.32 H new ATOM 573 N ASN A 39 -0.697 30.190 -2.999 1.00 74.22 N ATOM 574 CA ASN A 39 -1.623 30.121 -4.123 1.00 43.44 C ATOM 575 C ASN A 39 -2.167 28.707 -4.294 1.00 54.22 C ATOM 576 O ASN A 39 -2.659 28.346 -5.363 1.00 61.41 O ATOM 577 CB ASN A 39 -0.930 30.573 -5.410 1.00 4.25 C ATOM 578 CG ASN A 39 -1.864 31.323 -6.338 1.00 33.23 C ATOM 579 OD1 ASN A 39 -2.903 31.830 -5.915 1.00 13.05 O ATOM 580 ND2 ASN A 39 -1.499 31.397 -7.613 1.00 32.44 N ATOM 0 H ASN A 39 -0.979 30.833 -2.259 1.00 74.22 H new ATOM 0 HA ASN A 39 -2.459 30.789 -3.915 1.00 43.44 H new ATOM 0 HB2 ASN A 39 -0.083 31.211 -5.158 1.00 4.25 H new ATOM 0 HB3 ASN A 39 -0.530 29.702 -5.929 1.00 4.25 H new ATOM 0 HD21 ASN A 39 -2.089 31.889 -8.285 1.00 32.44 H new ATOM 0 HD22 ASN A 39 -0.629 30.962 -7.921 1.00 32.44 H new ATOM 587 N TRP A 40 -2.074 27.911 -3.235 1.00 11.01 N ATOM 588 CA TRP A 40 -2.558 26.535 -3.267 1.00 32.51 C ATOM 589 C TRP A 40 -1.989 25.787 -4.468 1.00 23.40 C ATOM 590 O TRP A 40 -2.627 24.883 -5.007 1.00 14.41 O ATOM 591 CB TRP A 40 -4.087 26.511 -3.315 1.00 1.54 C ATOM 592 CG TRP A 40 -4.726 27.373 -2.267 1.00 50.23 C ATOM 593 CD1 TRP A 40 -4.897 28.727 -2.311 1.00 31.41 C ATOM 594 CD2 TRP A 40 -5.279 26.937 -1.021 1.00 14.41 C ATOM 595 NE1 TRP A 40 -5.522 29.160 -1.167 1.00 60.15 N ATOM 596 CE2 TRP A 40 -5.768 28.081 -0.359 1.00 20.21 C ATOM 597 CE3 TRP A 40 -5.411 25.693 -0.398 1.00 13.14 C ATOM 598 CZ2 TRP A 40 -6.375 28.015 0.892 1.00 10.52 C ATOM 599 CZ3 TRP A 40 -6.014 25.629 0.843 1.00 75.02 C ATOM 600 CH2 TRP A 40 -6.491 26.784 1.477 1.00 71.30 C ATOM 0 H TRP A 40 -1.668 28.194 -2.343 1.00 11.01 H new ATOM 0 HA TRP A 40 -2.222 26.037 -2.358 1.00 32.51 H new ATOM 0 HB2 TRP A 40 -4.418 26.842 -4.299 1.00 1.54 H new ATOM 0 HB3 TRP A 40 -4.432 25.484 -3.191 1.00 1.54 H new ATOM 0 HD1 TRP A 40 -4.586 29.364 -3.126 1.00 31.41 H new ATOM 0 HE1 TRP A 40 -5.764 30.128 -0.954 1.00 60.15 H new ATOM 0 HE3 TRP A 40 -5.048 24.797 -0.879 1.00 13.14 H new ATOM 0 HZ2 TRP A 40 -6.741 28.904 1.383 1.00 10.52 H new ATOM 0 HZ3 TRP A 40 -6.120 24.672 1.333 1.00 75.02 H new ATOM 0 HH2 TRP A 40 -6.959 26.701 2.447 1.00 71.30 H new ATOM 611 N SER A 41 -0.785 26.169 -4.882 1.00 74.51 N ATOM 612 CA SER A 41 -0.132 25.536 -6.021 1.00 24.05 C ATOM 613 C SER A 41 0.698 24.335 -5.574 1.00 42.45 C ATOM 614 O SER A 41 0.333 23.185 -5.824 1.00 72.12 O ATOM 615 CB SER A 41 0.761 26.543 -6.750 1.00 64.43 C ATOM 616 OG SER A 41 1.470 25.924 -7.808 1.00 75.12 O ATOM 0 H SER A 41 -0.242 26.914 -4.445 1.00 74.51 H new ATOM 0 HA SER A 41 -0.907 25.187 -6.704 1.00 24.05 H new ATOM 0 HB2 SER A 41 0.151 27.356 -7.144 1.00 64.43 H new ATOM 0 HB3 SER A 41 1.466 26.985 -6.046 1.00 64.43 H new ATOM 0 HG SER A 41 2.032 26.589 -8.259 1.00 75.12 H new ATOM 622 N THR A 42 1.816 24.610 -4.910 1.00 73.54 N ATOM 623 CA THR A 42 2.698 23.555 -4.428 1.00 45.04 C ATOM 624 C THR A 42 2.449 23.261 -2.953 1.00 34.20 C ATOM 625 O THR A 42 1.960 24.115 -2.213 1.00 34.44 O ATOM 626 CB THR A 42 4.180 23.929 -4.623 1.00 1.10 C ATOM 627 OG1 THR A 42 5.013 22.809 -4.307 1.00 15.30 O ATOM 628 CG2 THR A 42 4.559 25.113 -3.746 1.00 52.41 C ATOM 0 H THR A 42 2.132 25.555 -4.694 1.00 73.54 H new ATOM 0 HA THR A 42 2.476 22.664 -5.015 1.00 45.04 H new ATOM 0 HB THR A 42 4.328 24.208 -5.666 1.00 1.10 H new ATOM 0 HG1 THR A 42 5.953 23.054 -4.435 1.00 15.30 H new ATOM 0 HG21 THR A 42 5.610 25.359 -3.901 1.00 52.41 H new ATOM 0 HG22 THR A 42 3.943 25.973 -4.009 1.00 52.41 H new ATOM 0 HG23 THR A 42 4.397 24.857 -2.699 1.00 52.41 H new ATOM 636 N LYS A 43 2.791 22.049 -2.531 1.00 53.21 N ATOM 637 CA LYS A 43 2.606 21.642 -1.143 1.00 62.12 C ATOM 638 C LYS A 43 3.951 21.483 -0.439 1.00 0.51 C ATOM 639 O LYS A 43 4.721 20.574 -0.751 1.00 42.43 O ATOM 640 CB LYS A 43 1.825 20.329 -1.073 1.00 42.01 C ATOM 641 CG LYS A 43 2.301 19.284 -2.067 1.00 13.53 C ATOM 642 CD LYS A 43 2.132 17.876 -1.522 1.00 24.00 C ATOM 643 CE LYS A 43 0.840 17.240 -2.013 1.00 21.13 C ATOM 644 NZ LYS A 43 0.818 17.103 -3.496 1.00 63.23 N1+ ATOM 0 H LYS A 43 3.198 21.331 -3.130 1.00 53.21 H new ATOM 0 HA LYS A 43 2.039 22.422 -0.635 1.00 62.12 H new ATOM 0 HB2 LYS A 43 1.905 19.922 -0.065 1.00 42.01 H new ATOM 0 HB3 LYS A 43 0.769 20.534 -1.252 1.00 42.01 H new ATOM 0 HG2 LYS A 43 1.742 19.384 -2.997 1.00 13.53 H new ATOM 0 HG3 LYS A 43 3.350 19.459 -2.305 1.00 13.53 H new ATOM 0 HD2 LYS A 43 2.980 17.262 -1.827 1.00 24.00 H new ATOM 0 HD3 LYS A 43 2.134 17.904 -0.432 1.00 24.00 H new ATOM 0 HE2 LYS A 43 0.722 16.258 -1.556 1.00 21.13 H new ATOM 0 HE3 LYS A 43 -0.008 17.845 -1.692 1.00 21.13 H new ATOM 0 HZ1 LYS A 43 0.245 16.276 -3.760 1.00 63.23 H new ATOM 0 HZ2 LYS A 43 0.405 17.959 -3.918 1.00 63.23 H new ATOM 0 HZ3 LYS A 43 1.789 16.978 -3.848 1.00 63.23 H new ATOM 658 N ILE A 44 4.226 22.371 0.510 1.00 50.11 N ATOM 659 CA ILE A 44 5.475 22.326 1.259 1.00 75.21 C ATOM 660 C ILE A 44 5.503 21.136 2.212 1.00 20.24 C ATOM 661 O ILE A 44 4.559 20.889 2.963 1.00 14.21 O ATOM 662 CB ILE A 44 5.696 23.620 2.064 1.00 5.22 C ATOM 663 CG1 ILE A 44 6.184 24.742 1.145 1.00 22.10 C ATOM 664 CG2 ILE A 44 6.690 23.380 3.191 1.00 1.53 C ATOM 665 CD1 ILE A 44 5.063 25.501 0.470 1.00 74.32 C ATOM 0 H ILE A 44 3.600 23.131 0.778 1.00 50.11 H new ATOM 0 HA ILE A 44 6.277 22.221 0.528 1.00 75.21 H new ATOM 0 HB ILE A 44 4.746 23.924 2.503 1.00 5.22 H new ATOM 0 HG12 ILE A 44 6.786 25.440 1.726 1.00 22.10 H new ATOM 0 HG13 ILE A 44 6.836 24.318 0.381 1.00 22.10 H new ATOM 0 HG21 ILE A 44 6.836 24.304 3.751 1.00 1.53 H new ATOM 0 HG22 ILE A 44 6.305 22.609 3.858 1.00 1.53 H new ATOM 0 HG23 ILE A 44 7.643 23.055 2.773 1.00 1.53 H new ATOM 0 HD11 ILE A 44 5.483 26.281 -0.166 1.00 74.32 H new ATOM 0 HD12 ILE A 44 4.474 24.815 -0.138 1.00 74.32 H new ATOM 0 HD13 ILE A 44 4.424 25.955 1.227 1.00 74.32 H new ATOM 677 N PRO A 45 6.611 20.382 2.185 1.00 42.30 N ATOM 678 CA PRO A 45 6.790 19.207 3.043 1.00 74.53 C ATOM 679 C PRO A 45 6.964 19.582 4.510 1.00 40.33 C ATOM 680 O PRO A 45 7.792 20.426 4.853 1.00 40.12 O ATOM 681 CB PRO A 45 8.069 18.563 2.500 1.00 11.42 C ATOM 682 CG PRO A 45 8.818 19.685 1.866 1.00 55.22 C ATOM 683 CD PRO A 45 7.776 20.618 1.315 1.00 3.34 C ATOM 0 HA PRO A 45 5.922 18.549 3.019 1.00 74.53 H new ATOM 0 HB2 PRO A 45 8.649 18.101 3.298 1.00 11.42 H new ATOM 0 HB3 PRO A 45 7.842 17.780 1.777 1.00 11.42 H new ATOM 0 HG2 PRO A 45 9.451 20.193 2.594 1.00 55.22 H new ATOM 0 HG3 PRO A 45 9.473 19.320 1.075 1.00 55.22 H new ATOM 0 HD2 PRO A 45 8.104 21.657 1.356 1.00 3.34 H new ATOM 0 HD3 PRO A 45 7.550 20.397 0.272 1.00 3.34 H new ATOM 691 N LEU A 46 6.179 18.948 5.375 1.00 54.51 N ATOM 692 CA LEU A 46 6.245 19.215 6.807 1.00 11.22 C ATOM 693 C LEU A 46 7.396 18.448 7.450 1.00 63.13 C ATOM 694 O LEU A 46 7.323 17.231 7.625 1.00 34.03 O ATOM 695 CB LEU A 46 4.925 18.833 7.478 1.00 1.32 C ATOM 696 CG LEU A 46 4.123 19.985 8.085 1.00 64.55 C ATOM 697 CD1 LEU A 46 3.467 20.812 6.989 1.00 13.04 C ATOM 698 CD2 LEU A 46 3.076 19.455 9.054 1.00 1.43 C ATOM 0 H LEU A 46 5.489 18.245 5.109 1.00 54.51 H new ATOM 0 HA LEU A 46 6.420 20.282 6.946 1.00 11.22 H new ATOM 0 HB2 LEU A 46 4.299 18.329 6.742 1.00 1.32 H new ATOM 0 HB3 LEU A 46 5.137 18.110 8.265 1.00 1.32 H new ATOM 0 HG LEU A 46 4.808 20.628 8.638 1.00 64.55 H new ATOM 0 HD11 LEU A 46 2.900 21.627 7.438 1.00 13.04 H new ATOM 0 HD12 LEU A 46 4.235 21.222 6.333 1.00 13.04 H new ATOM 0 HD13 LEU A 46 2.795 20.180 6.409 1.00 13.04 H new ATOM 0 HD21 LEU A 46 2.515 20.289 9.476 1.00 1.43 H new ATOM 0 HD22 LEU A 46 2.394 18.790 8.525 1.00 1.43 H new ATOM 0 HD23 LEU A 46 3.568 18.906 9.857 1.00 1.43 H new ATOM 710 N ILE A 47 8.456 19.168 7.801 1.00 41.44 N ATOM 711 CA ILE A 47 9.621 18.555 8.429 1.00 1.41 C ATOM 712 C ILE A 47 9.231 17.801 9.694 1.00 65.02 C ATOM 713 O ILE A 47 8.816 18.401 10.687 1.00 61.11 O ATOM 714 CB ILE A 47 10.689 19.608 8.781 1.00 11.35 C ATOM 715 CG1 ILE A 47 11.033 20.449 7.550 1.00 2.10 C ATOM 716 CG2 ILE A 47 11.935 18.934 9.333 1.00 15.21 C ATOM 717 CD1 ILE A 47 11.517 19.630 6.374 1.00 52.21 C ATOM 0 H ILE A 47 8.533 20.176 7.662 1.00 41.44 H new ATOM 0 HA ILE A 47 10.037 17.854 7.706 1.00 1.41 H new ATOM 0 HB ILE A 47 10.287 20.269 9.549 1.00 11.35 H new ATOM 0 HG12 ILE A 47 10.152 21.016 7.249 1.00 2.10 H new ATOM 0 HG13 ILE A 47 11.802 21.174 7.818 1.00 2.10 H new ATOM 0 HG21 ILE A 47 12.680 19.691 9.577 1.00 15.21 H new ATOM 0 HG22 ILE A 47 11.678 18.375 10.233 1.00 15.21 H new ATOM 0 HG23 ILE A 47 12.341 18.252 8.586 1.00 15.21 H new ATOM 0 HD11 ILE A 47 11.742 20.292 5.538 1.00 52.21 H new ATOM 0 HD12 ILE A 47 12.417 19.084 6.657 1.00 52.21 H new ATOM 0 HD13 ILE A 47 10.741 18.923 6.079 1.00 52.21 H new ATOM 729 N LYS A 48 9.367 16.480 9.654 1.00 55.44 N ATOM 730 CA LYS A 48 9.032 15.640 10.798 1.00 2.01 C ATOM 731 C LYS A 48 10.069 15.792 11.907 1.00 4.04 C ATOM 732 O LYS A 48 11.249 15.500 11.710 1.00 74.51 O ATOM 733 CB LYS A 48 8.938 14.174 10.371 1.00 32.12 C ATOM 734 CG LYS A 48 8.207 13.294 11.372 1.00 21.33 C ATOM 735 CD LYS A 48 8.138 11.852 10.900 1.00 65.24 C ATOM 736 CE LYS A 48 7.558 10.943 11.972 1.00 55.25 C ATOM 737 NZ LYS A 48 6.083 10.792 11.831 1.00 34.55 N1+ ATOM 0 H LYS A 48 9.707 15.967 8.841 1.00 55.44 H new ATOM 0 HA LYS A 48 8.064 15.963 11.182 1.00 2.01 H new ATOM 0 HB2 LYS A 48 8.428 14.116 9.409 1.00 32.12 H new ATOM 0 HB3 LYS A 48 9.944 13.782 10.222 1.00 32.12 H new ATOM 0 HG2 LYS A 48 8.714 13.339 12.336 1.00 21.33 H new ATOM 0 HG3 LYS A 48 7.198 13.676 11.525 1.00 21.33 H new ATOM 0 HD2 LYS A 48 7.526 11.791 10.000 1.00 65.24 H new ATOM 0 HD3 LYS A 48 9.137 11.508 10.631 1.00 65.24 H new ATOM 0 HE2 LYS A 48 8.031 9.963 11.912 1.00 55.25 H new ATOM 0 HE3 LYS A 48 7.789 11.349 12.957 1.00 55.25 H new ATOM 0 HZ1 LYS A 48 5.635 10.870 12.766 1.00 34.55 H new ATOM 0 HZ2 LYS A 48 5.716 11.539 11.208 1.00 34.55 H new ATOM 0 HZ3 LYS A 48 5.867 9.861 11.420 1.00 34.55 H new ATOM 751 N SER A 49 9.621 16.249 13.072 1.00 14.13 N ATOM 752 CA SER A 49 10.510 16.441 14.211 1.00 33.35 C ATOM 753 C SER A 49 10.553 15.192 15.086 1.00 3.20 C ATOM 754 O SER A 49 9.941 14.174 14.762 1.00 64.42 O ATOM 755 CB SER A 49 10.058 17.644 15.042 1.00 31.23 C ATOM 756 OG SER A 49 11.144 18.210 15.753 1.00 51.25 O ATOM 0 H SER A 49 8.647 16.493 13.252 1.00 14.13 H new ATOM 0 HA SER A 49 11.513 16.629 13.828 1.00 33.35 H new ATOM 0 HB2 SER A 49 9.616 18.396 14.388 1.00 31.23 H new ATOM 0 HB3 SER A 49 9.282 17.335 15.743 1.00 31.23 H new ATOM 0 HG SER A 49 10.829 18.978 16.274 1.00 51.25 H new ATOM 762 N HIS A 50 11.279 15.278 16.195 1.00 0.54 N ATOM 763 CA HIS A 50 11.401 14.154 17.118 1.00 22.21 C ATOM 764 C HIS A 50 10.118 13.969 17.922 1.00 65.22 C ATOM 765 O HIS A 50 9.828 12.875 18.404 1.00 14.41 O ATOM 766 CB HIS A 50 12.582 14.370 18.064 1.00 63.12 C ATOM 767 CG HIS A 50 13.906 14.014 17.461 1.00 21.12 C ATOM 768 ND1 HIS A 50 14.502 14.756 16.462 1.00 33.13 N ATOM 769 CD2 HIS A 50 14.752 12.989 17.721 1.00 30.03 C ATOM 770 CE1 HIS A 50 15.655 14.201 16.133 1.00 63.42 C ATOM 771 NE2 HIS A 50 15.830 13.128 16.884 1.00 44.14 N ATOM 0 H HIS A 50 11.792 16.113 16.477 1.00 0.54 H new ATOM 0 HA HIS A 50 11.575 13.252 16.532 1.00 22.21 H new ATOM 0 HB2 HIS A 50 12.602 15.415 18.374 1.00 63.12 H new ATOM 0 HB3 HIS A 50 12.430 13.774 18.964 1.00 63.12 H new ATOM 0 HD2 HIS A 50 14.605 12.207 18.452 1.00 30.03 H new ATOM 0 HE1 HIS A 50 16.338 14.563 15.379 1.00 63.42 H new ATOM 0 HE2 HIS A 50 16.636 12.504 16.847 1.00 44.14 H new ATOM 779 N ASN A 51 9.353 15.047 18.061 1.00 43.20 N ATOM 780 CA ASN A 51 8.100 15.003 18.808 1.00 41.32 C ATOM 781 C ASN A 51 6.907 14.893 17.864 1.00 42.34 C ATOM 782 O ASN A 51 6.082 13.989 17.992 1.00 61.52 O ATOM 783 CB ASN A 51 7.960 16.251 19.681 1.00 24.42 C ATOM 784 CG ASN A 51 9.273 16.659 20.323 1.00 75.52 C ATOM 785 OD1 ASN A 51 9.751 16.008 21.252 1.00 63.21 O ATOM 786 ND2 ASN A 51 9.862 17.741 19.829 1.00 63.41 N ATOM 0 H ASN A 51 9.578 15.961 17.667 1.00 43.20 H new ATOM 0 HA ASN A 51 8.117 14.120 19.447 1.00 41.32 H new ATOM 0 HB2 ASN A 51 7.584 17.075 19.074 1.00 24.42 H new ATOM 0 HB3 ASN A 51 7.220 16.065 20.460 1.00 24.42 H new ATOM 0 HD21 ASN A 51 10.747 18.063 20.220 1.00 63.41 H new ATOM 0 HD22 ASN A 51 9.430 18.250 19.058 1.00 63.41 H new ATOM 793 N ASP A 52 6.824 15.820 16.915 1.00 25.42 N ATOM 794 CA ASP A 52 5.733 15.827 15.947 1.00 63.14 C ATOM 795 C ASP A 52 6.161 16.511 14.651 1.00 70.31 C ATOM 796 O ASP A 52 7.332 16.845 14.471 1.00 74.35 O ATOM 797 CB ASP A 52 4.510 16.534 16.531 1.00 51.42 C ATOM 798 CG ASP A 52 4.120 15.989 17.891 1.00 61.33 C ATOM 799 OD1 ASP A 52 3.599 14.855 17.948 1.00 71.33 O1- ATOM 800 OD2 ASP A 52 4.336 16.695 18.898 1.00 34.01 O ATOM 0 H ASP A 52 7.499 16.576 16.796 1.00 25.42 H new ATOM 0 HA ASP A 52 5.472 14.793 15.722 1.00 63.14 H new ATOM 0 HB2 ASP A 52 4.717 17.601 16.616 1.00 51.42 H new ATOM 0 HB3 ASP A 52 3.670 16.426 15.845 1.00 51.42 H new ATOM 805 N PHE A 53 5.204 16.713 13.751 1.00 51.12 N ATOM 806 CA PHE A 53 5.481 17.354 12.472 1.00 12.33 C ATOM 807 C PHE A 53 5.482 18.874 12.614 1.00 22.10 C ATOM 808 O PHE A 53 4.736 19.434 13.418 1.00 32.20 O ATOM 809 CB PHE A 53 4.446 16.928 11.428 1.00 64.40 C ATOM 810 CG PHE A 53 4.724 15.583 10.823 1.00 61.34 C ATOM 811 CD1 PHE A 53 5.548 15.464 9.714 1.00 54.43 C ATOM 812 CD2 PHE A 53 4.163 14.437 11.362 1.00 54.52 C ATOM 813 CE1 PHE A 53 5.805 14.227 9.155 1.00 14.33 C ATOM 814 CE2 PHE A 53 4.417 13.196 10.806 1.00 21.11 C ATOM 815 CZ PHE A 53 5.240 13.092 9.702 1.00 53.35 C ATOM 0 H PHE A 53 4.230 16.442 13.885 1.00 51.12 H new ATOM 0 HA PHE A 53 6.470 17.037 12.142 1.00 12.33 H new ATOM 0 HB2 PHE A 53 3.460 16.912 11.891 1.00 64.40 H new ATOM 0 HB3 PHE A 53 4.413 17.675 10.635 1.00 64.40 H new ATOM 0 HD1 PHE A 53 5.994 16.348 9.283 1.00 54.43 H new ATOM 0 HD2 PHE A 53 3.520 14.513 12.226 1.00 54.52 H new ATOM 0 HE1 PHE A 53 6.448 14.148 8.291 1.00 14.33 H new ATOM 0 HE2 PHE A 53 3.972 12.310 11.235 1.00 21.11 H new ATOM 0 HZ PHE A 53 5.441 12.124 9.267 1.00 53.35 H new ATOM 825 N VAL A 54 6.324 19.535 11.826 1.00 33.42 N ATOM 826 CA VAL A 54 6.422 20.989 11.863 1.00 40.41 C ATOM 827 C VAL A 54 6.853 21.546 10.510 1.00 3.45 C ATOM 828 O VAL A 54 7.565 20.885 9.755 1.00 74.24 O ATOM 829 CB VAL A 54 7.418 21.459 12.940 1.00 62.34 C ATOM 830 CG1 VAL A 54 6.878 21.164 14.332 1.00 24.21 C ATOM 831 CG2 VAL A 54 8.773 20.800 12.734 1.00 4.44 C ATOM 0 H VAL A 54 6.948 19.087 11.155 1.00 33.42 H new ATOM 0 HA VAL A 54 5.429 21.366 12.109 1.00 40.41 H new ATOM 0 HB VAL A 54 7.546 22.538 12.847 1.00 62.34 H new ATOM 0 HG11 VAL A 54 7.595 21.503 15.080 1.00 24.21 H new ATOM 0 HG12 VAL A 54 5.932 21.686 14.473 1.00 24.21 H new ATOM 0 HG13 VAL A 54 6.720 20.091 14.441 1.00 24.21 H new ATOM 0 HG21 VAL A 54 9.465 21.143 13.503 1.00 4.44 H new ATOM 0 HG22 VAL A 54 8.665 19.717 12.800 1.00 4.44 H new ATOM 0 HG23 VAL A 54 9.162 21.067 11.751 1.00 4.44 H new ATOM 841 N ALA A 55 6.418 22.765 10.212 1.00 33.42 N ATOM 842 CA ALA A 55 6.762 23.412 8.952 1.00 64.34 C ATOM 843 C ALA A 55 6.791 24.929 9.103 1.00 43.12 C ATOM 844 O ALA A 55 5.824 25.535 9.563 1.00 20.33 O ATOM 845 CB ALA A 55 5.778 23.007 7.865 1.00 75.11 C ATOM 0 H ALA A 55 5.826 23.325 10.826 1.00 33.42 H new ATOM 0 HA ALA A 55 7.761 23.083 8.664 1.00 64.34 H new ATOM 0 HB1 ALA A 55 6.047 23.498 6.930 1.00 75.11 H new ATOM 0 HB2 ALA A 55 5.810 21.926 7.730 1.00 75.11 H new ATOM 0 HB3 ALA A 55 4.771 23.307 8.156 1.00 75.11 H new ATOM 851 N ILE A 56 7.907 25.537 8.714 1.00 4.32 N ATOM 852 CA ILE A 56 8.062 26.983 8.807 1.00 62.15 C ATOM 853 C ILE A 56 7.752 27.654 7.473 1.00 1.24 C ATOM 854 O ILE A 56 8.485 27.490 6.497 1.00 41.11 O ATOM 855 CB ILE A 56 9.486 27.371 9.246 1.00 74.20 C ATOM 856 CG1 ILE A 56 9.827 26.713 10.585 1.00 12.24 C ATOM 857 CG2 ILE A 56 9.617 28.883 9.344 1.00 20.32 C ATOM 858 CD1 ILE A 56 10.541 25.386 10.442 1.00 22.53 C ATOM 0 H ILE A 56 8.717 25.050 8.331 1.00 4.32 H new ATOM 0 HA ILE A 56 7.353 27.329 9.560 1.00 62.15 H new ATOM 0 HB ILE A 56 10.192 27.013 8.496 1.00 74.20 H new ATOM 0 HG12 ILE A 56 10.452 27.392 11.166 1.00 12.24 H new ATOM 0 HG13 ILE A 56 8.908 26.563 11.151 1.00 12.24 H new ATOM 0 HG21 ILE A 56 10.629 29.141 9.655 1.00 20.32 H new ATOM 0 HG22 ILE A 56 9.412 29.330 8.371 1.00 20.32 H new ATOM 0 HG23 ILE A 56 8.904 29.263 10.076 1.00 20.32 H new ATOM 0 HD11 ILE A 56 10.751 24.978 11.430 1.00 22.53 H new ATOM 0 HD12 ILE A 56 9.909 24.691 9.889 1.00 22.53 H new ATOM 0 HD13 ILE A 56 11.477 25.533 9.903 1.00 22.53 H new ATOM 870 N LEU A 57 6.664 28.415 7.439 1.00 53.34 N ATOM 871 CA LEU A 57 6.257 29.115 6.225 1.00 41.32 C ATOM 872 C LEU A 57 6.769 30.553 6.228 1.00 4.44 C ATOM 873 O LEU A 57 7.345 31.015 7.213 1.00 25.01 O ATOM 874 CB LEU A 57 4.734 29.104 6.092 1.00 22.14 C ATOM 875 CG LEU A 57 4.090 27.736 5.861 1.00 14.52 C ATOM 876 CD1 LEU A 57 2.594 27.801 6.122 1.00 62.22 C ATOM 877 CD2 LEU A 57 4.366 27.249 4.446 1.00 54.43 C ATOM 0 H LEU A 57 6.047 28.563 8.238 1.00 53.34 H new ATOM 0 HA LEU A 57 6.693 28.595 5.372 1.00 41.32 H new ATOM 0 HB2 LEU A 57 4.307 29.536 6.997 1.00 22.14 H new ATOM 0 HB3 LEU A 57 4.457 29.758 5.265 1.00 22.14 H new ATOM 0 HG LEU A 57 4.530 27.025 6.560 1.00 14.52 H new ATOM 0 HD11 LEU A 57 2.152 26.819 5.953 1.00 62.22 H new ATOM 0 HD12 LEU A 57 2.418 28.105 7.154 1.00 62.22 H new ATOM 0 HD13 LEU A 57 2.138 28.525 5.447 1.00 62.22 H new ATOM 0 HD21 LEU A 57 3.900 26.274 4.299 1.00 54.43 H new ATOM 0 HD22 LEU A 57 3.954 27.960 3.730 1.00 54.43 H new ATOM 0 HD23 LEU A 57 5.442 27.164 4.294 1.00 54.43 H new ATOM 889 N ASP A 58 6.553 31.254 5.121 1.00 22.22 N ATOM 890 CA ASP A 58 6.989 32.640 4.997 1.00 23.10 C ATOM 891 C ASP A 58 5.814 33.550 4.649 1.00 53.11 C ATOM 892 O ASP A 58 5.393 33.623 3.493 1.00 71.11 O ATOM 893 CB ASP A 58 8.078 32.761 3.930 1.00 60.34 C ATOM 894 CG ASP A 58 7.660 32.155 2.605 1.00 4.33 C ATOM 895 OD1 ASP A 58 7.684 30.912 2.487 1.00 31.41 O ATOM 896 OD2 ASP A 58 7.308 32.924 1.687 1.00 64.40 O1- ATOM 0 H ASP A 58 6.079 30.886 4.297 1.00 22.22 H new ATOM 0 HA ASP A 58 7.397 32.954 5.958 1.00 23.10 H new ATOM 0 HB2 ASP A 58 8.324 33.813 3.784 1.00 60.34 H new ATOM 0 HB3 ASP A 58 8.984 32.268 4.282 1.00 60.34 H new ATOM 901 N LEU A 59 5.290 34.240 5.654 1.00 12.41 N ATOM 902 CA LEU A 59 4.163 35.146 5.455 1.00 61.11 C ATOM 903 C LEU A 59 4.488 36.542 5.976 1.00 53.10 C ATOM 904 O LEU A 59 5.325 36.723 6.861 1.00 43.12 O ATOM 905 CB LEU A 59 2.917 34.603 6.159 1.00 61.24 C ATOM 906 CG LEU A 59 2.791 33.081 6.222 1.00 41.24 C ATOM 907 CD1 LEU A 59 1.481 32.680 6.880 1.00 32.21 C ATOM 908 CD2 LEU A 59 2.894 32.480 4.827 1.00 1.12 C ATOM 0 H LEU A 59 5.626 34.190 6.616 1.00 12.41 H new ATOM 0 HA LEU A 59 3.968 35.215 4.385 1.00 61.11 H new ATOM 0 HB2 LEU A 59 2.902 34.991 7.177 1.00 61.24 H new ATOM 0 HB3 LEU A 59 2.037 35.000 5.653 1.00 61.24 H new ATOM 0 HG LEU A 59 3.611 32.693 6.826 1.00 41.24 H new ATOM 0 HD11 LEU A 59 1.410 31.593 6.916 1.00 32.21 H new ATOM 0 HD12 LEU A 59 1.446 33.079 7.894 1.00 32.21 H new ATOM 0 HD13 LEU A 59 0.647 33.080 6.303 1.00 32.21 H new ATOM 0 HD21 LEU A 59 2.802 31.396 4.890 1.00 1.12 H new ATOM 0 HD22 LEU A 59 2.095 32.876 4.200 1.00 1.12 H new ATOM 0 HD23 LEU A 59 3.859 32.738 4.390 1.00 1.12 H new ATOM 920 N PRO A 60 3.809 37.555 5.418 1.00 72.34 N ATOM 921 CA PRO A 60 4.006 38.953 5.812 1.00 43.15 C ATOM 922 C PRO A 60 3.474 39.240 7.212 1.00 50.24 C ATOM 923 O PRO A 60 4.214 39.169 8.193 1.00 44.12 O ATOM 924 CB PRO A 60 3.205 39.732 4.766 1.00 2.43 C ATOM 925 CG PRO A 60 2.164 38.776 4.295 1.00 40.55 C ATOM 926 CD PRO A 60 2.796 37.413 4.358 1.00 50.31 C ATOM 0 HA PRO A 60 5.062 39.222 5.848 1.00 43.15 H new ATOM 0 HB2 PRO A 60 2.755 40.626 5.198 1.00 2.43 H new ATOM 0 HB3 PRO A 60 3.841 40.060 3.944 1.00 2.43 H new ATOM 0 HG2 PRO A 60 1.276 38.824 4.925 1.00 40.55 H new ATOM 0 HG3 PRO A 60 1.847 39.013 3.279 1.00 40.55 H new ATOM 0 HD2 PRO A 60 2.065 36.642 4.602 1.00 50.31 H new ATOM 0 HD3 PRO A 60 3.247 37.135 3.406 1.00 50.31 H new ATOM 934 N GLU A 61 2.188 39.566 7.298 1.00 62.44 N ATOM 935 CA GLU A 61 1.560 39.865 8.579 1.00 50.50 C ATOM 936 C GLU A 61 0.075 40.169 8.399 1.00 12.05 C ATOM 937 O GLU A 61 -0.295 41.123 7.717 1.00 32.42 O ATOM 938 CB GLU A 61 2.258 41.049 9.250 1.00 73.34 C ATOM 939 CG GLU A 61 1.522 41.576 10.472 1.00 52.41 C ATOM 940 CD GLU A 61 0.611 42.744 10.146 1.00 72.55 C ATOM 941 OE1 GLU A 61 1.011 43.598 9.326 1.00 35.02 O1- ATOM 942 OE2 GLU A 61 -0.501 42.802 10.709 1.00 43.41 O ATOM 0 H GLU A 61 1.561 39.630 6.496 1.00 62.44 H new ATOM 0 HA GLU A 61 1.658 38.987 9.217 1.00 50.50 H new ATOM 0 HB2 GLU A 61 3.264 40.748 9.543 1.00 73.34 H new ATOM 0 HB3 GLU A 61 2.365 41.856 8.525 1.00 73.34 H new ATOM 0 HG2 GLU A 61 0.932 40.771 10.911 1.00 52.41 H new ATOM 0 HG3 GLU A 61 2.248 41.885 11.224 1.00 52.41 H new ATOM 949 N GLY A 62 -0.771 39.350 9.016 1.00 54.52 N ATOM 950 CA GLY A 62 -2.204 39.547 8.912 1.00 52.00 C ATOM 951 C GLY A 62 -2.979 38.253 9.063 1.00 61.55 C ATOM 952 O GLY A 62 -2.969 37.636 10.127 1.00 51.12 O ATOM 0 H GLY A 62 -0.489 38.553 9.586 1.00 54.52 H new ATOM 0 HA2 GLY A 62 -2.527 40.252 9.678 1.00 52.00 H new ATOM 0 HA3 GLY A 62 -2.437 39.996 7.946 1.00 52.00 H new ATOM 956 N GLU A 63 -3.656 37.842 7.994 1.00 53.44 N ATOM 957 CA GLU A 63 -4.443 36.615 8.013 1.00 52.42 C ATOM 958 C GLU A 63 -4.248 35.823 6.724 1.00 71.45 C ATOM 959 O GLU A 63 -4.322 36.406 5.642 1.00 35.41 O ATOM 960 CB GLU A 63 -5.926 36.936 8.208 1.00 13.45 C ATOM 961 CG GLU A 63 -6.850 35.784 7.855 1.00 1.11 C ATOM 962 CD GLU A 63 -8.309 36.104 8.117 1.00 63.01 C ATOM 963 OE1 GLU A 63 -8.939 36.752 7.257 1.00 62.20 O1- ATOM 964 OE2 GLU A 63 -8.820 35.707 9.185 1.00 35.44 O ATOM 0 H GLU A 63 -3.675 38.341 7.105 1.00 53.44 H new ATOM 0 HA GLU A 63 -4.098 36.006 8.849 1.00 52.42 H new ATOM 0 HB2 GLU A 63 -6.094 37.220 9.247 1.00 13.45 H new ATOM 0 HB3 GLU A 63 -6.186 37.800 7.596 1.00 13.45 H new ATOM 0 HG2 GLU A 63 -6.721 35.529 6.803 1.00 1.11 H new ATOM 0 HG3 GLU A 63 -6.565 34.905 8.433 1.00 1.11 H new ATOM 971 N HIS A 64 -4.006 34.528 6.864 1.00 3.13 N ATOM 972 CA HIS A 64 -3.804 33.675 5.706 1.00 20.42 C ATOM 973 C HIS A 64 -4.437 32.306 5.960 1.00 42.53 C ATOM 974 O HIS A 64 -4.470 31.801 7.083 1.00 73.42 O ATOM 975 CB HIS A 64 -2.319 33.586 5.350 1.00 3.20 C ATOM 976 CG HIS A 64 -1.568 34.885 5.515 1.00 31.31 C ATOM 977 ND1 HIS A 64 -1.138 35.529 6.638 1.00 32.22 N flip ATOM 978 CD2 HIS A 64 -1.183 35.669 4.442 1.00 2.30 C flip ATOM 979 CE1 HIS A 64 -0.521 36.646 6.269 1.00 4.25 C flip ATOM 980 NE2 HIS A 64 -0.548 36.734 4.909 1.00 51.03 N flip ATOM 0 H HIS A 64 -3.945 34.049 7.762 1.00 3.13 H new ATOM 0 HA HIS A 64 -4.300 34.110 4.838 1.00 20.42 H new ATOM 0 HB2 HIS A 64 -1.851 32.826 5.976 1.00 3.20 H new ATOM 0 HB3 HIS A 64 -2.223 33.252 4.317 1.00 3.20 H new ATOM 0 HD1 HIS A 64 -1.268 35.208 7.597 1.00 32.22 H new ATOM 0 HD2 HIS A 64 -1.369 35.450 3.401 1.00 2.30 H new ATOM 0 HE1 HIS A 64 -0.072 37.366 6.937 1.00 4.25 H new ATOM 988 N GLN A 65 -4.942 31.711 4.884 1.00 53.30 N ATOM 989 CA GLN A 65 -5.580 30.402 4.963 1.00 30.02 C ATOM 990 C GLN A 65 -4.579 29.291 4.664 1.00 12.33 C ATOM 991 O GLN A 65 -3.569 29.514 3.996 1.00 60.12 O ATOM 992 CB GLN A 65 -6.755 30.324 3.986 1.00 12.55 C ATOM 993 CG GLN A 65 -8.070 30.807 4.577 1.00 10.33 C ATOM 994 CD GLN A 65 -8.587 29.895 5.672 1.00 53.50 C ATOM 995 OE1 GLN A 65 -8.942 30.352 6.760 1.00 5.54 O ATOM 996 NE2 GLN A 65 -8.632 28.598 5.391 1.00 52.31 N ATOM 0 H GLN A 65 -4.922 32.114 3.947 1.00 53.30 H new ATOM 0 HA GLN A 65 -5.952 30.267 5.978 1.00 30.02 H new ATOM 0 HB2 GLN A 65 -6.523 30.919 3.103 1.00 12.55 H new ATOM 0 HB3 GLN A 65 -6.873 29.293 3.653 1.00 12.55 H new ATOM 0 HG2 GLN A 65 -7.936 31.811 4.979 1.00 10.33 H new ATOM 0 HG3 GLN A 65 -8.816 30.877 3.785 1.00 10.33 H new ATOM 0 HE21 GLN A 65 -8.328 28.263 4.477 1.00 52.31 H new ATOM 0 HE22 GLN A 65 -8.971 27.936 6.089 1.00 52.31 H new ATOM 1005 N TYR A 66 -4.867 28.094 5.162 1.00 44.22 N ATOM 1006 CA TYR A 66 -3.991 26.948 4.950 1.00 44.05 C ATOM 1007 C TYR A 66 -4.706 25.644 5.296 1.00 74.13 C ATOM 1008 O TYR A 66 -5.785 25.652 5.888 1.00 55.35 O ATOM 1009 CB TYR A 66 -2.722 27.085 5.793 1.00 51.25 C ATOM 1010 CG TYR A 66 -2.917 26.715 7.246 1.00 25.41 C ATOM 1011 CD1 TYR A 66 -3.660 27.524 8.097 1.00 33.23 C ATOM 1012 CD2 TYR A 66 -2.358 25.554 7.768 1.00 60.42 C ATOM 1013 CE1 TYR A 66 -3.840 27.190 9.425 1.00 54.24 C ATOM 1014 CE2 TYR A 66 -2.535 25.211 9.094 1.00 74.14 C ATOM 1015 CZ TYR A 66 -3.276 26.031 9.919 1.00 3.41 C ATOM 1016 OH TYR A 66 -3.452 25.694 11.240 1.00 4.23 O ATOM 0 H TYR A 66 -5.700 27.892 5.715 1.00 44.22 H new ATOM 0 HA TYR A 66 -3.717 26.923 3.895 1.00 44.05 H new ATOM 0 HB2 TYR A 66 -1.943 26.453 5.367 1.00 51.25 H new ATOM 0 HB3 TYR A 66 -2.366 28.113 5.733 1.00 51.25 H new ATOM 0 HD1 TYR A 66 -4.105 28.430 7.713 1.00 33.23 H new ATOM 0 HD2 TYR A 66 -1.776 24.910 7.126 1.00 60.42 H new ATOM 0 HE1 TYR A 66 -4.419 27.832 10.073 1.00 54.24 H new ATOM 0 HE2 TYR A 66 -2.095 24.305 9.483 1.00 74.14 H new ATOM 0 HH TYR A 66 -2.969 26.331 11.807 1.00 4.23 H new ATOM 1026 N LYS A 67 -4.094 24.526 4.923 1.00 63.21 N ATOM 1027 CA LYS A 67 -4.668 23.213 5.194 1.00 53.24 C ATOM 1028 C LYS A 67 -3.573 22.169 5.384 1.00 15.33 C ATOM 1029 O LYS A 67 -2.414 22.399 5.036 1.00 64.42 O ATOM 1030 CB LYS A 67 -5.596 22.793 4.052 1.00 51.31 C ATOM 1031 CG LYS A 67 -7.047 22.637 4.473 1.00 50.42 C ATOM 1032 CD LYS A 67 -7.760 21.585 3.638 1.00 54.14 C ATOM 1033 CE LYS A 67 -7.768 21.955 2.163 1.00 21.22 C ATOM 1034 NZ LYS A 67 -8.445 23.259 1.922 1.00 73.50 N1+ ATOM 0 H LYS A 67 -3.200 24.502 4.432 1.00 63.21 H new ATOM 0 HA LYS A 67 -5.245 23.280 6.116 1.00 53.24 H new ATOM 0 HB2 LYS A 67 -5.535 23.534 3.255 1.00 51.31 H new ATOM 0 HB3 LYS A 67 -5.243 21.849 3.637 1.00 51.31 H new ATOM 0 HG2 LYS A 67 -7.093 22.360 5.526 1.00 50.42 H new ATOM 0 HG3 LYS A 67 -7.561 23.593 4.372 1.00 50.42 H new ATOM 0 HD2 LYS A 67 -7.269 20.621 3.770 1.00 54.14 H new ATOM 0 HD3 LYS A 67 -8.785 21.472 3.991 1.00 54.14 H new ATOM 0 HE2 LYS A 67 -6.743 22.005 1.795 1.00 21.22 H new ATOM 0 HE3 LYS A 67 -8.273 21.173 1.595 1.00 21.22 H new ATOM 0 HZ1 LYS A 67 -8.520 23.427 0.898 1.00 73.50 H new ATOM 0 HZ2 LYS A 67 -9.397 23.238 2.340 1.00 73.50 H new ATOM 0 HZ3 LYS A 67 -7.892 24.023 2.359 1.00 73.50 H new ATOM 1048 N PHE A 68 -3.948 21.018 5.933 1.00 0.43 N ATOM 1049 CA PHE A 68 -2.996 19.938 6.168 1.00 43.24 C ATOM 1050 C PHE A 68 -3.198 18.807 5.163 1.00 51.11 C ATOM 1051 O PHE A 68 -4.322 18.526 4.746 1.00 1.31 O ATOM 1052 CB PHE A 68 -3.143 19.401 7.593 1.00 73.30 C ATOM 1053 CG PHE A 68 -2.502 20.275 8.633 1.00 43.41 C ATOM 1054 CD1 PHE A 68 -1.131 20.478 8.636 1.00 14.15 C ATOM 1055 CD2 PHE A 68 -3.269 20.893 9.606 1.00 41.10 C ATOM 1056 CE1 PHE A 68 -0.538 21.283 9.591 1.00 73.42 C ATOM 1057 CE2 PHE A 68 -2.683 21.699 10.563 1.00 25.24 C ATOM 1058 CZ PHE A 68 -1.315 21.892 10.557 1.00 11.45 C ATOM 0 H PHE A 68 -4.903 20.809 6.223 1.00 0.43 H new ATOM 0 HA PHE A 68 -1.991 20.339 6.040 1.00 43.24 H new ATOM 0 HB2 PHE A 68 -4.203 19.293 7.824 1.00 73.30 H new ATOM 0 HB3 PHE A 68 -2.702 18.406 7.645 1.00 73.30 H new ATOM 0 HD1 PHE A 68 -0.519 20.002 7.884 1.00 14.15 H new ATOM 0 HD2 PHE A 68 -4.339 20.743 9.617 1.00 41.10 H new ATOM 0 HE1 PHE A 68 0.531 21.435 9.582 1.00 73.42 H new ATOM 0 HE2 PHE A 68 -3.293 22.177 11.315 1.00 25.24 H new ATOM 0 HZ PHE A 68 -0.854 22.518 11.306 1.00 11.45 H new ATOM 1068 N PHE A 69 -2.102 18.163 4.778 1.00 45.12 N ATOM 1069 CA PHE A 69 -2.156 17.064 3.821 1.00 72.31 C ATOM 1070 C PHE A 69 -1.422 15.839 4.356 1.00 34.23 C ATOM 1071 O PHE A 69 -0.191 15.798 4.375 1.00 4.23 O ATOM 1072 CB PHE A 69 -1.549 17.493 2.483 1.00 74.52 C ATOM 1073 CG PHE A 69 -2.192 16.839 1.295 1.00 34.54 C ATOM 1074 CD1 PHE A 69 -3.563 16.909 1.106 1.00 34.50 C ATOM 1075 CD2 PHE A 69 -1.426 16.152 0.367 1.00 61.42 C ATOM 1076 CE1 PHE A 69 -4.157 16.306 0.013 1.00 50.31 C ATOM 1077 CE2 PHE A 69 -2.015 15.548 -0.728 1.00 54.41 C ATOM 1078 CZ PHE A 69 -3.382 15.626 -0.905 1.00 73.11 C ATOM 0 H PHE A 69 -1.165 18.383 5.114 1.00 45.12 H new ATOM 0 HA PHE A 69 -3.203 16.800 3.669 1.00 72.31 H new ATOM 0 HB2 PHE A 69 -1.637 18.575 2.384 1.00 74.52 H new ATOM 0 HB3 PHE A 69 -0.484 17.259 2.485 1.00 74.52 H new ATOM 0 HD1 PHE A 69 -4.174 17.440 1.820 1.00 34.50 H new ATOM 0 HD2 PHE A 69 -0.356 16.088 0.501 1.00 61.42 H new ATOM 0 HE1 PHE A 69 -5.227 16.367 -0.123 1.00 50.31 H new ATOM 0 HE2 PHE A 69 -1.407 15.016 -1.444 1.00 54.41 H new ATOM 0 HZ PHE A 69 -3.844 15.156 -1.760 1.00 73.11 H new ATOM 1088 N VAL A 70 -2.185 14.842 4.791 1.00 45.13 N ATOM 1089 CA VAL A 70 -1.608 13.615 5.328 1.00 12.31 C ATOM 1090 C VAL A 70 -2.087 12.396 4.547 1.00 74.44 C ATOM 1091 O VAL A 70 -3.276 12.256 4.265 1.00 2.54 O ATOM 1092 CB VAL A 70 -1.962 13.430 6.815 1.00 34.31 C ATOM 1093 CG1 VAL A 70 -1.220 12.237 7.397 1.00 42.23 C ATOM 1094 CG2 VAL A 70 -1.648 14.696 7.598 1.00 33.01 C ATOM 0 H VAL A 70 -3.205 14.860 4.782 1.00 45.13 H new ATOM 0 HA VAL A 70 -0.526 13.705 5.230 1.00 12.31 H new ATOM 0 HB VAL A 70 -3.032 13.236 6.894 1.00 34.31 H new ATOM 0 HG11 VAL A 70 -1.483 12.123 8.449 1.00 42.23 H new ATOM 0 HG12 VAL A 70 -1.499 11.335 6.853 1.00 42.23 H new ATOM 0 HG13 VAL A 70 -0.146 12.398 7.307 1.00 42.23 H new ATOM 0 HG21 VAL A 70 -1.904 14.548 8.647 1.00 33.01 H new ATOM 0 HG22 VAL A 70 -0.585 14.923 7.512 1.00 33.01 H new ATOM 0 HG23 VAL A 70 -2.229 15.526 7.196 1.00 33.01 H new ATOM 1104 N ASP A 71 -1.153 11.516 4.202 1.00 1.00 N ATOM 1105 CA ASP A 71 -1.480 10.307 3.456 1.00 43.14 C ATOM 1106 C ASP A 71 -2.290 10.641 2.208 1.00 50.35 C ATOM 1107 O ASP A 71 -3.228 9.927 1.854 1.00 35.40 O ATOM 1108 CB ASP A 71 -2.259 9.332 4.340 1.00 2.43 C ATOM 1109 CG ASP A 71 -1.554 9.050 5.652 1.00 3.42 C ATOM 1110 OD1 ASP A 71 -0.307 9.085 5.675 1.00 70.50 O ATOM 1111 OD2 ASP A 71 -2.251 8.795 6.656 1.00 33.12 O1- ATOM 0 H ASP A 71 -0.163 11.618 4.427 1.00 1.00 H new ATOM 0 HA ASP A 71 -0.547 9.837 3.146 1.00 43.14 H new ATOM 0 HB2 ASP A 71 -3.248 9.742 4.543 1.00 2.43 H new ATOM 0 HB3 ASP A 71 -2.406 8.396 3.801 1.00 2.43 H new ATOM 1116 N GLY A 72 -1.922 11.733 1.544 1.00 50.22 N ATOM 1117 CA GLY A 72 -2.627 12.144 0.344 1.00 61.42 C ATOM 1118 C GLY A 72 -4.099 12.404 0.595 1.00 44.45 C ATOM 1119 O GLY A 72 -4.923 12.264 -0.308 1.00 1.33 O ATOM 0 H GLY A 72 -1.149 12.340 1.816 1.00 50.22 H new ATOM 0 HA2 GLY A 72 -2.165 13.047 -0.054 1.00 61.42 H new ATOM 0 HA3 GLY A 72 -2.523 11.371 -0.417 1.00 61.42 H new ATOM 1123 N GLN A 73 -4.430 12.781 1.825 1.00 51.05 N ATOM 1124 CA GLN A 73 -5.814 13.058 2.193 1.00 43.53 C ATOM 1125 C GLN A 73 -5.925 14.389 2.929 1.00 15.15 C ATOM 1126 O GLN A 73 -4.977 14.833 3.575 1.00 61.23 O ATOM 1127 CB GLN A 73 -6.367 11.930 3.067 1.00 0.22 C ATOM 1128 CG GLN A 73 -6.782 10.698 2.279 1.00 40.22 C ATOM 1129 CD GLN A 73 -7.758 11.019 1.165 1.00 75.24 C ATOM 1130 OE1 GLN A 73 -7.613 10.539 0.040 1.00 21.24 O ATOM 1131 NE2 GLN A 73 -8.759 11.836 1.471 1.00 65.41 N ATOM 0 H GLN A 73 -3.759 12.902 2.584 1.00 51.05 H new ATOM 0 HA GLN A 73 -6.402 13.120 1.277 1.00 43.53 H new ATOM 0 HB2 GLN A 73 -5.612 11.645 3.799 1.00 0.22 H new ATOM 0 HB3 GLN A 73 -7.227 12.302 3.624 1.00 0.22 H new ATOM 0 HG2 GLN A 73 -5.895 10.227 1.855 1.00 40.22 H new ATOM 0 HG3 GLN A 73 -7.235 9.974 2.956 1.00 40.22 H new ATOM 0 HE21 GLN A 73 -8.841 12.211 2.416 1.00 65.41 H new ATOM 0 HE22 GLN A 73 -9.446 12.089 0.761 1.00 65.41 H new ATOM 1140 N TRP A 74 -7.089 15.021 2.825 1.00 43.42 N ATOM 1141 CA TRP A 74 -7.324 16.303 3.480 1.00 50.15 C ATOM 1142 C TRP A 74 -7.796 16.101 4.916 1.00 34.22 C ATOM 1143 O TRP A 74 -8.771 15.392 5.165 1.00 13.41 O ATOM 1144 CB TRP A 74 -8.358 17.116 2.699 1.00 44.15 C ATOM 1145 CG TRP A 74 -8.069 17.189 1.231 1.00 14.24 C ATOM 1146 CD1 TRP A 74 -8.533 16.346 0.262 1.00 12.12 C ATOM 1147 CD2 TRP A 74 -7.251 18.156 0.565 1.00 71.21 C ATOM 1148 NE1 TRP A 74 -8.052 16.731 -0.967 1.00 23.51 N ATOM 1149 CE2 TRP A 74 -7.264 17.840 -0.807 1.00 41.42 C ATOM 1150 CE3 TRP A 74 -6.509 19.261 0.994 1.00 71.12 C ATOM 1151 CZ2 TRP A 74 -6.563 18.587 -1.750 1.00 12.21 C ATOM 1152 CZ3 TRP A 74 -5.814 20.001 0.057 1.00 44.24 C ATOM 1153 CH2 TRP A 74 -5.845 19.663 -1.302 1.00 51.10 C ATOM 0 H TRP A 74 -7.884 14.667 2.294 1.00 43.42 H new ATOM 0 HA TRP A 74 -6.382 16.851 3.501 1.00 50.15 H new ATOM 0 HB2 TRP A 74 -9.344 16.675 2.847 1.00 44.15 H new ATOM 0 HB3 TRP A 74 -8.397 18.127 3.105 1.00 44.15 H new ATOM 0 HD1 TRP A 74 -9.183 15.501 0.436 1.00 12.12 H new ATOM 0 HE1 TRP A 74 -8.250 16.267 -1.853 1.00 23.51 H new ATOM 0 HE3 TRP A 74 -6.480 19.531 2.039 1.00 71.12 H new ATOM 0 HZ2 TRP A 74 -6.585 18.327 -2.798 1.00 12.21 H new ATOM 0 HZ3 TRP A 74 -5.237 20.855 0.378 1.00 44.24 H new ATOM 0 HH2 TRP A 74 -5.292 20.263 -2.010 1.00 51.10 H new ATOM 1164 N VAL A 75 -7.098 16.728 5.858 1.00 2.43 N ATOM 1165 CA VAL A 75 -7.448 16.619 7.270 1.00 44.01 C ATOM 1166 C VAL A 75 -7.234 17.943 7.993 1.00 31.52 C ATOM 1167 O VAL A 75 -6.423 18.769 7.572 1.00 30.21 O ATOM 1168 CB VAL A 75 -6.620 15.524 7.969 1.00 3.12 C ATOM 1169 CG1 VAL A 75 -7.063 14.144 7.508 1.00 12.40 C ATOM 1170 CG2 VAL A 75 -5.136 15.732 7.709 1.00 31.10 C ATOM 0 H VAL A 75 -6.287 17.317 5.669 1.00 2.43 H new ATOM 0 HA VAL A 75 -8.504 16.351 7.316 1.00 44.01 H new ATOM 0 HB VAL A 75 -6.790 15.593 9.043 1.00 3.12 H new ATOM 0 HG11 VAL A 75 -6.467 13.383 8.012 1.00 12.40 H new ATOM 0 HG12 VAL A 75 -8.116 14.000 7.751 1.00 12.40 H new ATOM 0 HG13 VAL A 75 -6.924 14.058 6.430 1.00 12.40 H new ATOM 0 HG21 VAL A 75 -4.566 14.950 8.210 1.00 31.10 H new ATOM 0 HG22 VAL A 75 -4.945 15.690 6.637 1.00 31.10 H new ATOM 0 HG23 VAL A 75 -4.832 16.706 8.094 1.00 31.10 H new ATOM 1180 N HIS A 76 -7.967 18.140 9.085 1.00 63.01 N ATOM 1181 CA HIS A 76 -7.857 19.365 9.869 1.00 74.30 C ATOM 1182 C HIS A 76 -7.318 19.070 11.265 1.00 62.21 C ATOM 1183 O HIS A 76 -7.412 17.942 11.752 1.00 72.04 O ATOM 1184 CB HIS A 76 -9.216 20.055 9.970 1.00 70.12 C ATOM 1185 CG HIS A 76 -10.145 19.409 10.951 1.00 2.15 C ATOM 1186 ND1 HIS A 76 -10.405 19.699 12.248 1.00 13.43 N flip ATOM 1187 CD2 HIS A 76 -10.936 18.324 10.637 1.00 41.33 C flip ATOM 1188 CE1 HIS A 76 -11.339 18.795 12.688 1.00 11.05 C flip ATOM 1189 NE2 HIS A 76 -11.643 17.976 11.697 1.00 32.15 N flip ATOM 0 H HIS A 76 -8.643 17.467 9.447 1.00 63.01 H new ATOM 0 HA HIS A 76 -7.158 20.030 9.362 1.00 74.30 H new ATOM 0 HB2 HIS A 76 -9.065 21.096 10.256 1.00 70.12 H new ATOM 0 HB3 HIS A 76 -9.686 20.060 8.986 1.00 70.12 H new ATOM 0 HD2 HIS A 76 -10.972 17.835 9.675 1.00 41.33 H new ATOM 0 HE1 HIS A 76 -11.758 18.759 13.683 1.00 11.05 H new ATOM 0 HE2 HIS A 76 -12.310 17.206 11.743 1.00 32.15 H new ATOM 1197 N ASP A 77 -6.752 20.087 11.904 1.00 1.43 N ATOM 1198 CA ASP A 77 -6.198 19.937 13.244 1.00 33.21 C ATOM 1199 C ASP A 77 -7.199 20.397 14.300 1.00 70.34 C ATOM 1200 O ASP A 77 -7.691 21.525 14.275 1.00 64.41 O ATOM 1201 CB ASP A 77 -4.899 20.732 13.374 1.00 62.43 C ATOM 1202 CG ASP A 77 -4.247 20.557 14.733 1.00 63.34 C ATOM 1203 OD1 ASP A 77 -3.964 19.401 15.110 1.00 44.05 O1- ATOM 1204 OD2 ASP A 77 -4.020 21.576 15.418 1.00 41.33 O ATOM 0 H ASP A 77 -6.665 21.026 11.515 1.00 1.43 H new ATOM 0 HA ASP A 77 -5.985 18.880 13.407 1.00 33.21 H new ATOM 0 HB2 ASP A 77 -4.203 20.416 12.597 1.00 62.43 H new ATOM 0 HB3 ASP A 77 -5.105 21.789 13.206 1.00 62.43 H new ATOM 1209 N PRO A 78 -7.509 19.503 15.252 1.00 20.45 N ATOM 1210 CA PRO A 78 -8.454 19.795 16.334 1.00 45.12 C ATOM 1211 C PRO A 78 -7.900 20.809 17.329 1.00 52.21 C ATOM 1212 O PRO A 78 -8.652 21.425 18.086 1.00 23.20 O ATOM 1213 CB PRO A 78 -8.650 18.435 17.009 1.00 71.01 C ATOM 1214 CG PRO A 78 -7.404 17.677 16.705 1.00 2.41 C ATOM 1215 CD PRO A 78 -6.961 18.139 15.344 1.00 33.02 C ATOM 0 HA PRO A 78 -9.377 20.238 15.961 1.00 45.12 H new ATOM 0 HB2 PRO A 78 -8.795 18.544 18.084 1.00 71.01 H new ATOM 0 HB3 PRO A 78 -9.530 17.923 16.619 1.00 71.01 H new ATOM 0 HG2 PRO A 78 -6.636 17.873 17.453 1.00 2.41 H new ATOM 0 HG3 PRO A 78 -7.589 16.603 16.712 1.00 2.41 H new ATOM 0 HD2 PRO A 78 -5.875 18.135 15.252 1.00 33.02 H new ATOM 0 HD3 PRO A 78 -7.350 17.496 14.555 1.00 33.02 H new ATOM 1223 N SER A 79 -6.582 20.978 17.322 1.00 35.34 N ATOM 1224 CA SER A 79 -5.928 21.916 18.228 1.00 5.14 C ATOM 1225 C SER A 79 -5.905 23.320 17.631 1.00 2.34 C ATOM 1226 O SER A 79 -5.885 24.314 18.357 1.00 53.41 O ATOM 1227 CB SER A 79 -4.501 21.455 18.530 1.00 42.01 C ATOM 1228 OG SER A 79 -4.066 21.935 19.790 1.00 3.14 O ATOM 0 H SER A 79 -5.946 20.479 16.700 1.00 35.34 H new ATOM 0 HA SER A 79 -6.498 21.944 19.157 1.00 5.14 H new ATOM 0 HB2 SER A 79 -4.457 20.366 18.517 1.00 42.01 H new ATOM 0 HB3 SER A 79 -3.828 21.810 17.750 1.00 42.01 H new ATOM 0 HG SER A 79 -3.152 21.625 19.960 1.00 3.14 H new ATOM 1234 N GLU A 80 -5.905 23.394 16.303 1.00 34.21 N ATOM 1235 CA GLU A 80 -5.883 24.675 15.609 1.00 31.11 C ATOM 1236 C GLU A 80 -7.279 25.054 15.121 1.00 4.43 C ATOM 1237 O GLU A 80 -8.168 24.212 14.988 1.00 53.10 O ATOM 1238 CB GLU A 80 -4.914 24.623 14.426 1.00 21.12 C ATOM 1239 CG GLU A 80 -3.479 24.950 14.800 1.00 61.25 C ATOM 1240 CD GLU A 80 -3.156 26.424 14.645 1.00 12.23 C ATOM 1241 OE1 GLU A 80 -2.840 26.845 13.512 1.00 23.05 O ATOM 1242 OE2 GLU A 80 -3.221 27.156 15.654 1.00 54.30 O1- ATOM 0 H GLU A 80 -5.920 22.581 15.687 1.00 34.21 H new ATOM 0 HA GLU A 80 -5.545 25.435 16.313 1.00 31.11 H new ATOM 0 HB2 GLU A 80 -4.947 23.627 13.983 1.00 21.12 H new ATOM 0 HB3 GLU A 80 -5.250 25.323 13.661 1.00 21.12 H new ATOM 0 HG2 GLU A 80 -3.299 24.649 15.832 1.00 61.25 H new ATOM 0 HG3 GLU A 80 -2.803 24.366 14.175 1.00 61.25 H new ATOM 1249 N PRO A 81 -7.478 26.352 14.849 1.00 71.34 N ATOM 1250 CA PRO A 81 -8.762 26.873 14.372 1.00 12.23 C ATOM 1251 C PRO A 81 -9.077 26.424 12.948 1.00 54.22 C ATOM 1252 O PRO A 81 -8.222 26.484 12.065 1.00 51.34 O ATOM 1253 CB PRO A 81 -8.572 28.390 14.424 1.00 53.15 C ATOM 1254 CG PRO A 81 -7.100 28.591 14.304 1.00 44.41 C ATOM 1255 CD PRO A 81 -6.465 27.411 14.985 1.00 34.31 C ATOM 0 HA PRO A 81 -9.596 26.514 14.975 1.00 12.23 H new ATOM 0 HB2 PRO A 81 -9.107 28.884 13.613 1.00 53.15 H new ATOM 0 HB3 PRO A 81 -8.954 28.805 15.357 1.00 53.15 H new ATOM 0 HG2 PRO A 81 -6.798 28.647 13.258 1.00 44.41 H new ATOM 0 HG3 PRO A 81 -6.794 29.525 14.775 1.00 44.41 H new ATOM 0 HD2 PRO A 81 -5.525 27.131 14.510 1.00 34.31 H new ATOM 0 HD3 PRO A 81 -6.243 27.622 16.031 1.00 34.31 H new ATOM 1263 N VAL A 82 -10.310 25.976 12.733 1.00 52.51 N ATOM 1264 CA VAL A 82 -10.738 25.519 11.416 1.00 44.45 C ATOM 1265 C VAL A 82 -11.874 26.381 10.878 1.00 64.55 C ATOM 1266 O VAL A 82 -12.704 26.880 11.638 1.00 3.43 O ATOM 1267 CB VAL A 82 -11.196 24.049 11.454 1.00 4.41 C ATOM 1268 CG1 VAL A 82 -10.108 23.165 12.043 1.00 71.24 C ATOM 1269 CG2 VAL A 82 -12.490 23.915 12.242 1.00 72.14 C ATOM 0 H VAL A 82 -11.030 25.920 13.454 1.00 52.51 H new ATOM 0 HA VAL A 82 -9.876 25.606 10.755 1.00 44.45 H new ATOM 0 HB VAL A 82 -11.384 23.718 10.432 1.00 4.41 H new ATOM 0 HG11 VAL A 82 -10.450 22.130 12.062 1.00 71.24 H new ATOM 0 HG12 VAL A 82 -9.209 23.239 11.432 1.00 71.24 H new ATOM 0 HG13 VAL A 82 -9.884 23.491 13.059 1.00 71.24 H new ATOM 0 HG21 VAL A 82 -12.799 22.870 12.259 1.00 72.14 H new ATOM 0 HG22 VAL A 82 -12.332 24.263 13.263 1.00 72.14 H new ATOM 0 HG23 VAL A 82 -13.267 24.516 11.770 1.00 72.14 H new ATOM 1279 N VAL A 83 -11.905 26.553 9.560 1.00 50.41 N ATOM 1280 CA VAL A 83 -12.942 27.354 8.918 1.00 1.01 C ATOM 1281 C VAL A 83 -13.813 26.498 8.007 1.00 10.44 C ATOM 1282 O VAL A 83 -13.548 25.311 7.811 1.00 73.11 O ATOM 1283 CB VAL A 83 -12.333 28.504 8.095 1.00 15.32 C ATOM 1284 CG1 VAL A 83 -11.285 29.248 8.910 1.00 40.22 C ATOM 1285 CG2 VAL A 83 -11.735 27.975 6.801 1.00 11.55 C ATOM 0 H VAL A 83 -11.225 26.149 8.916 1.00 50.41 H new ATOM 0 HA VAL A 83 -13.557 27.773 9.715 1.00 1.01 H new ATOM 0 HB VAL A 83 -13.128 29.206 7.841 1.00 15.32 H new ATOM 0 HG11 VAL A 83 -10.866 30.057 8.312 1.00 40.22 H new ATOM 0 HG12 VAL A 83 -11.747 29.661 9.806 1.00 40.22 H new ATOM 0 HG13 VAL A 83 -10.490 28.559 9.196 1.00 40.22 H new ATOM 0 HG21 VAL A 83 -11.309 28.802 6.232 1.00 11.55 H new ATOM 0 HG22 VAL A 83 -10.953 27.252 7.031 1.00 11.55 H new ATOM 0 HG23 VAL A 83 -12.514 27.492 6.211 1.00 11.55 H new ATOM 1295 N THR A 84 -14.856 27.106 7.451 1.00 44.21 N ATOM 1296 CA THR A 84 -15.767 26.400 6.560 1.00 74.32 C ATOM 1297 C THR A 84 -16.044 27.212 5.300 1.00 53.33 C ATOM 1298 O THR A 84 -16.672 28.270 5.356 1.00 51.12 O ATOM 1299 CB THR A 84 -17.105 26.086 7.258 1.00 3.04 C ATOM 1300 OG1 THR A 84 -16.866 25.668 8.607 1.00 23.43 O ATOM 1301 CG2 THR A 84 -17.862 24.999 6.511 1.00 25.03 C ATOM 0 H THR A 84 -15.091 28.087 7.603 1.00 44.21 H new ATOM 0 HA THR A 84 -15.279 25.464 6.286 1.00 74.32 H new ATOM 0 HB THR A 84 -17.711 26.992 7.261 1.00 3.04 H new ATOM 0 HG1 THR A 84 -17.720 25.472 9.045 1.00 23.43 H new ATOM 0 HG21 THR A 84 -18.803 24.794 7.022 1.00 25.03 H new ATOM 0 HG22 THR A 84 -18.067 25.332 5.493 1.00 25.03 H new ATOM 0 HG23 THR A 84 -17.260 24.091 6.482 1.00 25.03 H new ATOM 1309 N SER A 85 -15.574 26.710 4.163 1.00 12.31 N ATOM 1310 CA SER A 85 -15.767 27.391 2.888 1.00 62.15 C ATOM 1311 C SER A 85 -17.165 27.123 2.336 1.00 62.25 C ATOM 1312 O SER A 85 -17.853 26.206 2.783 1.00 25.40 O ATOM 1313 CB SER A 85 -14.712 26.938 1.877 1.00 73.20 C ATOM 1314 OG SER A 85 -13.641 27.863 1.809 1.00 45.01 O ATOM 0 H SER A 85 -15.056 25.833 4.098 1.00 12.31 H new ATOM 0 HA SER A 85 -15.660 28.462 3.057 1.00 62.15 H new ATOM 0 HB2 SER A 85 -14.331 25.956 2.159 1.00 73.20 H new ATOM 0 HB3 SER A 85 -15.169 26.832 0.893 1.00 73.20 H new ATOM 0 HG SER A 85 -12.979 27.550 1.157 1.00 45.01 H new ATOM 1320 N GLN A 86 -17.575 27.931 1.364 1.00 54.44 N ATOM 1321 CA GLN A 86 -18.889 27.781 0.751 1.00 2.41 C ATOM 1322 C GLN A 86 -19.055 26.390 0.150 1.00 50.10 C ATOM 1323 O GLN A 86 -20.175 25.911 -0.033 1.00 4.23 O ATOM 1324 CB GLN A 86 -19.096 28.844 -0.330 1.00 4.33 C ATOM 1325 CG GLN A 86 -19.339 30.238 0.226 1.00 61.13 C ATOM 1326 CD GLN A 86 -20.550 30.301 1.136 1.00 54.21 C ATOM 1327 OE1 GLN A 86 -20.419 30.393 2.357 1.00 53.21 O ATOM 1328 NE2 GLN A 86 -21.737 30.252 0.545 1.00 50.44 N ATOM 0 H GLN A 86 -17.017 28.696 0.984 1.00 54.44 H new ATOM 0 HA GLN A 86 -19.641 27.912 1.529 1.00 2.41 H new ATOM 0 HB2 GLN A 86 -18.219 28.868 -0.977 1.00 4.33 H new ATOM 0 HB3 GLN A 86 -19.944 28.557 -0.952 1.00 4.33 H new ATOM 0 HG2 GLN A 86 -18.457 30.564 0.778 1.00 61.13 H new ATOM 0 HG3 GLN A 86 -19.474 30.936 -0.600 1.00 61.13 H new ATOM 0 HE21 GLN A 86 -21.798 30.176 -0.470 1.00 50.44 H new ATOM 0 HE22 GLN A 86 -22.588 30.291 1.106 1.00 50.44 H new ATOM 1337 N LEU A 87 -17.934 25.745 -0.155 1.00 53.55 N ATOM 1338 CA LEU A 87 -17.956 24.407 -0.737 1.00 32.15 C ATOM 1339 C LEU A 87 -18.279 23.358 0.323 1.00 71.20 C ATOM 1340 O LEU A 87 -18.591 22.213 0.002 1.00 72.13 O ATOM 1341 CB LEU A 87 -16.609 24.092 -1.389 1.00 52.11 C ATOM 1342 CG LEU A 87 -16.666 23.330 -2.712 1.00 71.13 C ATOM 1343 CD1 LEU A 87 -17.205 21.925 -2.497 1.00 0.40 C ATOM 1344 CD2 LEU A 87 -17.519 24.081 -3.725 1.00 21.21 C ATOM 0 H LEU A 87 -16.999 26.126 -0.009 1.00 53.55 H new ATOM 0 HA LEU A 87 -18.736 24.380 -1.498 1.00 32.15 H new ATOM 0 HB2 LEU A 87 -16.080 25.031 -1.556 1.00 52.11 H new ATOM 0 HB3 LEU A 87 -16.014 23.512 -0.684 1.00 52.11 H new ATOM 0 HG LEU A 87 -15.653 23.252 -3.107 1.00 71.13 H new ATOM 0 HD11 LEU A 87 -17.238 21.398 -3.451 1.00 0.40 H new ATOM 0 HD12 LEU A 87 -16.554 21.387 -1.808 1.00 0.40 H new ATOM 0 HD13 LEU A 87 -18.210 21.981 -2.078 1.00 0.40 H new ATOM 0 HD21 LEU A 87 -17.548 23.523 -4.661 1.00 21.21 H new ATOM 0 HD22 LEU A 87 -18.532 24.192 -3.337 1.00 21.21 H new ATOM 0 HD23 LEU A 87 -17.089 25.067 -3.903 1.00 21.21 H new ATOM 1356 N GLY A 88 -18.203 23.760 1.588 1.00 42.12 N ATOM 1357 CA GLY A 88 -18.492 22.843 2.676 1.00 24.33 C ATOM 1358 C GLY A 88 -17.261 22.091 3.142 1.00 1.42 C ATOM 1359 O GLY A 88 -17.363 21.130 3.906 1.00 3.52 O ATOM 0 H GLY A 88 -17.947 24.703 1.879 1.00 42.12 H new ATOM 0 HA2 GLY A 88 -18.913 23.399 3.514 1.00 24.33 H new ATOM 0 HA3 GLY A 88 -19.250 22.129 2.354 1.00 24.33 H new ATOM 1363 N THR A 89 -16.093 22.528 2.683 1.00 71.55 N ATOM 1364 CA THR A 89 -14.837 21.888 3.055 1.00 55.20 C ATOM 1365 C THR A 89 -14.199 22.585 4.251 1.00 10.24 C ATOM 1366 O THR A 89 -14.067 23.809 4.271 1.00 41.43 O ATOM 1367 CB THR A 89 -13.838 21.886 1.884 1.00 22.31 C ATOM 1368 OG1 THR A 89 -13.289 23.197 1.706 1.00 42.53 O ATOM 1369 CG2 THR A 89 -14.514 21.435 0.597 1.00 71.24 C ATOM 0 H THR A 89 -15.990 23.323 2.052 1.00 71.55 H new ATOM 0 HA THR A 89 -15.074 20.858 3.321 1.00 55.20 H new ATOM 0 HB THR A 89 -13.037 21.186 2.120 1.00 22.31 H new ATOM 0 HG1 THR A 89 -13.391 23.710 2.535 1.00 42.53 H new ATOM 0 HG21 THR A 89 -13.789 21.442 -0.217 1.00 71.24 H new ATOM 0 HG22 THR A 89 -14.906 20.426 0.726 1.00 71.24 H new ATOM 0 HG23 THR A 89 -15.333 22.114 0.359 1.00 71.24 H new ATOM 1377 N ILE A 90 -13.804 21.798 5.247 1.00 15.44 N ATOM 1378 CA ILE A 90 -13.178 22.342 6.447 1.00 62.33 C ATOM 1379 C ILE A 90 -11.699 22.633 6.210 1.00 55.32 C ATOM 1380 O ILE A 90 -10.935 21.748 5.830 1.00 54.04 O ATOM 1381 CB ILE A 90 -13.315 21.377 7.639 1.00 62.51 C ATOM 1382 CG1 ILE A 90 -14.791 21.103 7.934 1.00 24.44 C ATOM 1383 CG2 ILE A 90 -12.620 21.949 8.865 1.00 41.13 C ATOM 1384 CD1 ILE A 90 -15.553 22.327 8.390 1.00 10.43 C ATOM 0 H ILE A 90 -13.906 20.783 5.247 1.00 15.44 H new ATOM 0 HA ILE A 90 -13.697 23.272 6.681 1.00 62.33 H new ATOM 0 HB ILE A 90 -12.835 20.433 7.381 1.00 62.51 H new ATOM 0 HG12 ILE A 90 -15.264 20.703 7.037 1.00 24.44 H new ATOM 0 HG13 ILE A 90 -14.863 20.333 8.702 1.00 24.44 H new ATOM 0 HG21 ILE A 90 -12.725 21.256 9.700 1.00 41.13 H new ATOM 0 HG22 ILE A 90 -11.562 22.097 8.648 1.00 41.13 H new ATOM 0 HG23 ILE A 90 -13.074 22.905 9.128 1.00 41.13 H new ATOM 0 HD11 ILE A 90 -16.592 22.059 8.581 1.00 10.43 H new ATOM 0 HD12 ILE A 90 -15.105 22.715 9.305 1.00 10.43 H new ATOM 0 HD13 ILE A 90 -15.512 23.091 7.614 1.00 10.43 H new ATOM 1396 N ASN A 91 -11.304 23.881 6.440 1.00 75.15 N ATOM 1397 CA ASN A 91 -9.917 24.290 6.253 1.00 52.40 C ATOM 1398 C ASN A 91 -9.328 24.827 7.555 1.00 14.34 C ATOM 1399 O ASN A 91 -9.968 24.775 8.605 1.00 44.21 O ATOM 1400 CB ASN A 91 -9.820 25.355 5.159 1.00 44.32 C ATOM 1401 CG ASN A 91 -10.274 24.838 3.808 1.00 63.13 C ATOM 1402 OD1 ASN A 91 -10.602 23.660 3.660 1.00 53.22 O ATOM 1403 ND2 ASN A 91 -10.294 25.718 2.814 1.00 51.12 N ATOM 0 H ASN A 91 -11.925 24.626 6.756 1.00 75.15 H new ATOM 0 HA ASN A 91 -9.344 23.414 5.949 1.00 52.40 H new ATOM 0 HB2 ASN A 91 -10.428 26.216 5.439 1.00 44.32 H new ATOM 0 HB3 ASN A 91 -8.790 25.703 5.084 1.00 44.32 H new ATOM 0 HD21 ASN A 91 -10.590 25.428 1.882 1.00 51.12 H new ATOM 0 HD22 ASN A 91 -10.014 26.684 2.982 1.00 51.12 H new ATOM 1410 N ASN A 92 -8.107 25.343 7.476 1.00 21.11 N ATOM 1411 CA ASN A 92 -7.431 25.891 8.648 1.00 25.44 C ATOM 1412 C ASN A 92 -7.060 27.354 8.427 1.00 42.41 C ATOM 1413 O ASN A 92 -6.610 27.735 7.346 1.00 75.33 O ATOM 1414 CB ASN A 92 -6.176 25.076 8.965 1.00 12.33 C ATOM 1415 CG ASN A 92 -6.420 23.582 8.885 1.00 70.44 C ATOM 1416 OD1 ASN A 92 -5.616 22.839 8.322 1.00 14.31 O ATOM 1417 ND2 ASN A 92 -7.536 23.134 9.450 1.00 64.12 N ATOM 0 H ASN A 92 -7.564 25.394 6.614 1.00 21.11 H new ATOM 0 HA ASN A 92 -8.117 25.833 9.493 1.00 25.44 H new ATOM 0 HB2 ASN A 92 -5.383 25.349 8.269 1.00 12.33 H new ATOM 0 HB3 ASN A 92 -5.824 25.331 9.965 1.00 12.33 H new ATOM 0 HD21 ASN A 92 -7.755 22.138 9.428 1.00 64.12 H new ATOM 0 HD22 ASN A 92 -8.174 23.786 9.906 1.00 64.12 H new ATOM 1424 N LEU A 93 -7.250 28.168 9.459 1.00 31.22 N ATOM 1425 CA LEU A 93 -6.934 29.591 9.379 1.00 13.40 C ATOM 1426 C LEU A 93 -5.740 29.934 10.264 1.00 33.45 C ATOM 1427 O LEU A 93 -5.665 29.506 11.416 1.00 13.31 O ATOM 1428 CB LEU A 93 -8.147 30.426 9.794 1.00 61.04 C ATOM 1429 CG LEU A 93 -7.908 31.930 9.936 1.00 55.34 C ATOM 1430 CD1 LEU A 93 -7.456 32.526 8.613 1.00 52.14 C ATOM 1431 CD2 LEU A 93 -9.168 32.625 10.434 1.00 44.50 C ATOM 0 H LEU A 93 -7.621 27.868 10.361 1.00 31.22 H new ATOM 0 HA LEU A 93 -6.676 29.824 8.346 1.00 13.40 H new ATOM 0 HB2 LEU A 93 -8.938 30.271 9.060 1.00 61.04 H new ATOM 0 HB3 LEU A 93 -8.517 30.045 10.746 1.00 61.04 H new ATOM 0 HG LEU A 93 -7.117 32.085 10.669 1.00 55.34 H new ATOM 0 HD11 LEU A 93 -7.291 33.597 8.734 1.00 52.14 H new ATOM 0 HD12 LEU A 93 -6.528 32.049 8.297 1.00 52.14 H new ATOM 0 HD13 LEU A 93 -8.224 32.360 7.858 1.00 52.14 H new ATOM 0 HD21 LEU A 93 -8.980 33.694 10.529 1.00 44.50 H new ATOM 0 HD22 LEU A 93 -9.979 32.461 9.724 1.00 44.50 H new ATOM 0 HD23 LEU A 93 -9.448 32.218 11.405 1.00 44.50 H new ATOM 1443 N ILE A 94 -4.809 30.709 9.718 1.00 72.12 N ATOM 1444 CA ILE A 94 -3.620 31.111 10.458 1.00 23.02 C ATOM 1445 C ILE A 94 -3.377 32.612 10.333 1.00 33.42 C ATOM 1446 O ILE A 94 -3.462 33.177 9.242 1.00 24.54 O ATOM 1447 CB ILE A 94 -2.369 30.357 9.968 1.00 3.41 C ATOM 1448 CG1 ILE A 94 -1.132 30.823 10.738 1.00 44.30 C ATOM 1449 CG2 ILE A 94 -2.179 30.563 8.473 1.00 53.44 C ATOM 1450 CD1 ILE A 94 -0.220 29.692 11.157 1.00 55.11 C ATOM 0 H ILE A 94 -4.856 31.071 8.766 1.00 72.12 H new ATOM 0 HA ILE A 94 -3.799 30.859 11.503 1.00 23.02 H new ATOM 0 HB ILE A 94 -2.508 29.292 10.153 1.00 3.41 H new ATOM 0 HG12 ILE A 94 -0.570 31.522 10.118 1.00 44.30 H new ATOM 0 HG13 ILE A 94 -1.451 31.370 11.625 1.00 44.30 H new ATOM 0 HG21 ILE A 94 -1.291 30.024 8.141 1.00 53.44 H new ATOM 0 HG22 ILE A 94 -3.052 30.187 7.940 1.00 53.44 H new ATOM 0 HG23 ILE A 94 -2.057 31.626 8.265 1.00 53.44 H new ATOM 0 HD11 ILE A 94 0.636 30.096 11.698 1.00 55.11 H new ATOM 0 HD12 ILE A 94 -0.766 29.005 11.803 1.00 55.11 H new ATOM 0 HD13 ILE A 94 0.129 29.159 10.272 1.00 55.11 H new ATOM 1462 N HIS A 95 -3.072 33.252 11.457 1.00 31.02 N ATOM 1463 CA HIS A 95 -2.813 34.688 11.474 1.00 3.12 C ATOM 1464 C HIS A 95 -1.348 34.972 11.793 1.00 23.15 C ATOM 1465 O HIS A 95 -0.734 34.282 12.606 1.00 22.42 O ATOM 1466 CB HIS A 95 -3.714 35.378 12.498 1.00 44.24 C ATOM 1467 CG HIS A 95 -5.176 35.222 12.211 1.00 42.15 C ATOM 1468 ND1 HIS A 95 -6.139 35.209 13.197 1.00 4.04 N ATOM 1469 CD2 HIS A 95 -5.837 35.077 11.039 1.00 31.11 C ATOM 1470 CE1 HIS A 95 -7.330 35.059 12.644 1.00 35.13 C ATOM 1471 NE2 HIS A 95 -7.174 34.977 11.336 1.00 25.13 N ATOM 0 H HIS A 95 -2.998 32.799 12.368 1.00 31.02 H new ATOM 0 HA HIS A 95 -3.034 35.084 10.483 1.00 3.12 H new ATOM 0 HB2 HIS A 95 -3.501 34.974 13.488 1.00 44.24 H new ATOM 0 HB3 HIS A 95 -3.469 36.440 12.528 1.00 44.24 H new ATOM 0 HD1 HIS A 95 -5.960 35.301 14.197 1.00 4.04 H new ATOM 0 HD2 HIS A 95 -5.395 35.046 10.054 1.00 31.11 H new ATOM 0 HE1 HIS A 95 -8.271 35.012 13.172 1.00 35.13 H new ATOM 1479 N VAL A 96 -0.794 35.992 11.146 1.00 71.41 N ATOM 1480 CA VAL A 96 0.598 36.368 11.362 1.00 30.12 C ATOM 1481 C VAL A 96 0.701 37.739 12.020 1.00 32.13 C ATOM 1482 O VAL A 96 0.133 38.717 11.535 1.00 62.43 O ATOM 1483 CB VAL A 96 1.385 36.386 10.038 1.00 71.24 C ATOM 1484 CG1 VAL A 96 2.837 36.767 10.286 1.00 62.50 C ATOM 1485 CG2 VAL A 96 1.292 35.036 9.344 1.00 60.41 C ATOM 0 H VAL A 96 -1.288 36.573 10.468 1.00 71.41 H new ATOM 0 HA VAL A 96 1.030 35.617 12.024 1.00 30.12 H new ATOM 0 HB VAL A 96 0.943 37.137 9.383 1.00 71.24 H new ATOM 0 HG11 VAL A 96 3.378 36.775 9.340 1.00 62.50 H new ATOM 0 HG12 VAL A 96 2.881 37.758 10.737 1.00 62.50 H new ATOM 0 HG13 VAL A 96 3.294 36.041 10.959 1.00 62.50 H new ATOM 0 HG21 VAL A 96 1.854 35.067 8.410 1.00 60.41 H new ATOM 0 HG22 VAL A 96 1.708 34.264 9.992 1.00 60.41 H new ATOM 0 HG23 VAL A 96 0.248 34.807 9.131 1.00 60.41 H new ATOM 1495 N LYS A 97 1.431 37.803 13.129 1.00 13.43 N ATOM 1496 CA LYS A 97 1.612 39.055 13.855 1.00 32.32 C ATOM 1497 C LYS A 97 3.029 39.589 13.673 1.00 33.23 C ATOM 1498 O LYS A 97 3.998 38.830 13.700 1.00 53.25 O ATOM 1499 CB LYS A 97 1.320 38.851 15.343 1.00 23.44 C ATOM 1500 CG LYS A 97 -0.079 38.327 15.622 1.00 24.53 C ATOM 1501 CD LYS A 97 -0.519 38.643 17.042 1.00 41.45 C ATOM 1502 CE LYS A 97 -1.127 40.034 17.141 1.00 62.22 C ATOM 1503 NZ LYS A 97 -2.063 40.150 18.292 1.00 53.42 N1+ ATOM 0 H LYS A 97 1.907 37.002 13.545 1.00 13.43 H new ATOM 0 HA LYS A 97 0.912 39.786 13.450 1.00 32.32 H new ATOM 0 HB2 LYS A 97 2.049 38.154 15.756 1.00 23.44 H new ATOM 0 HB3 LYS A 97 1.455 39.799 15.864 1.00 23.44 H new ATOM 0 HG2 LYS A 97 -0.782 38.769 14.915 1.00 24.53 H new ATOM 0 HG3 LYS A 97 -0.103 37.249 15.464 1.00 24.53 H new ATOM 0 HD2 LYS A 97 -1.247 37.902 17.372 1.00 41.45 H new ATOM 0 HD3 LYS A 97 0.336 38.570 17.714 1.00 41.45 H new ATOM 0 HE2 LYS A 97 -0.331 40.772 17.245 1.00 62.22 H new ATOM 0 HE3 LYS A 97 -1.657 40.265 16.217 1.00 62.22 H new ATOM 0 HZ1 LYS A 97 -2.456 41.112 18.324 1.00 53.42 H new ATOM 0 HZ2 LYS A 97 -2.837 39.464 18.181 1.00 53.42 H new ATOM 0 HZ3 LYS A 97 -1.552 39.955 19.176 1.00 53.42 H new ATOM 1517 N LYS A 98 3.142 40.900 13.489 1.00 54.02 N ATOM 1518 CA LYS A 98 4.442 41.538 13.306 1.00 54.22 C ATOM 1519 C LYS A 98 5.289 41.418 14.569 1.00 33.52 C ATOM 1520 O LYS A 98 4.940 41.962 15.616 1.00 54.13 O ATOM 1521 CB LYS A 98 4.261 43.012 12.938 1.00 72.45 C ATOM 1522 CG LYS A 98 3.324 43.761 13.870 1.00 22.24 C ATOM 1523 CD LYS A 98 2.109 44.292 13.129 1.00 61.03 C ATOM 1524 CE LYS A 98 2.458 45.507 12.283 1.00 12.11 C ATOM 1525 NZ LYS A 98 1.480 45.715 11.179 1.00 62.45 N1+ ATOM 0 H LYS A 98 2.350 41.542 13.463 1.00 54.02 H new ATOM 0 HA LYS A 98 4.959 41.028 12.493 1.00 54.22 H new ATOM 0 HB2 LYS A 98 5.235 43.502 12.945 1.00 72.45 H new ATOM 0 HB3 LYS A 98 3.878 43.079 11.920 1.00 72.45 H new ATOM 0 HG2 LYS A 98 3.001 43.098 14.673 1.00 22.24 H new ATOM 0 HG3 LYS A 98 3.858 44.589 14.336 1.00 22.24 H new ATOM 0 HD2 LYS A 98 1.700 43.509 12.491 1.00 61.03 H new ATOM 0 HD3 LYS A 98 1.332 44.558 13.846 1.00 61.03 H new ATOM 0 HE2 LYS A 98 2.485 46.394 12.916 1.00 12.11 H new ATOM 0 HE3 LYS A 98 3.457 45.383 11.865 1.00 12.11 H new ATOM 0 HZ1 LYS A 98 1.607 46.666 10.777 1.00 62.45 H new ATOM 0 HZ2 LYS A 98 1.636 45.002 10.438 1.00 62.45 H new ATOM 0 HZ3 LYS A 98 0.513 45.622 11.550 1.00 62.45 H new