USER MOD reduce.3.24.130724 H: found=0, std=0, add=1145, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1148 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 30 GLN : amide:sc= 2.18 K(o=4.9,f=1.8) USER MOD Set 1.2: A 75 TYR OH : rot 28:sc= 0.957 USER MOD Set 1.3: A 159 THR OG1 : rot 161:sc= 1.81 USER MOD Set 2.1: A 27 GLN : amide:sc= -0.698 X(o=-4,f=-3.8) USER MOD Set 2.2: A 163 ASN : amide:sc= -3.34! C(o=-4!,f=-7.1!) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.0024 USER MOD Single : A 31 GLN :FLIP amide:sc= -0.0928 F(o=-0.77,f=-0.093) USER MOD Single : A 35 MET CE :methyl 174:sc= -2.27! (180deg=-2.64!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 MET CE :methyl -155:sc= -0.0733 (180deg=-1.65) USER MOD Single : A 54 MET CE :methyl -144:sc= -0.634 (180deg=-2.59!) USER MOD Single : A 57 HIS : no HE2:sc= 0.323 K(o=0.32,f=-2.3!) USER MOD Single : A 59 ASN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -115:sc= -0.0753 (180deg=-0.42) USER MOD Single : A 73 LYS NZ :NH3+ -159:sc= 1.25 (180deg=1.12) USER MOD Single : A 77 HIS : no HE2:sc= -0.868 K(o=-0.87,f=-2.8!) USER MOD Single : A 80 LYS NZ :NH3+ -170:sc= -0.0611 (180deg=-0.0976) USER MOD Single : A 85 ASN : amide:sc= 1.48 K(o=1.5,f=-0.0075) USER MOD Single : A 88 CYS SG : rot -24:sc= 0.487 USER MOD Single : A 95 HIS : no HD1:sc= -1.42 X(o=-1.4,f=-1.7) USER MOD Single : A 96 ASN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 MET CE :methyl -138:sc= -0.277 (180deg=-1.6) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc= 0.199 X(o=0.2,f=-0.23) USER MOD Single : A 108 SER OG : rot 108:sc= 1.3 USER MOD Single : A 109 HIS : no HE2:sc= 0.535 K(o=0.53,f=-3!) USER MOD Single : A 110 GLN :FLIP amide:sc= -1.47 F(o=-2.5!,f=-1.5) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 114 GLN :FLIP amide:sc= -0.0437 F(o=-0.67,f=-0.044) USER MOD Single : A 115 THR OG1 : rot -74:sc= 0.384 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 HIS : no HE2:sc= 0.253 K(o=0.25,f=-1.1) USER MOD Single : A 120 ASN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 122 CYS SG : rot 74:sc= 0.519 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 127 ASN : amide:sc= -0.0545 X(o=-0.055,f=-0.36) USER MOD Single : A 146 MET CE :methyl -158:sc= -0.132 (180deg=-0.605) USER MOD Single : A 149 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 150 THR OG1 : rot -78:sc= 0.598 USER MOD Single : A 156 LYS NZ :NH3+ -163:sc= 1.27 (180deg=0.664) USER MOD Single : A 157 GLN : amide:sc= -0.0703 X(o=-0.07,f=-0.0024) USER MOD Single : A 160 THR OG1 : rot 75:sc= 0.11 USER MOD Single : A 161 THR OG1 : rot 83:sc= 0.881 USER MOD Single : A 164 THR OG1 : rot 180:sc= 0 USER MOD Single : A 165 ASN : amide:sc= -0.0191 X(o=-0.019,f=-0.38) USER MOD ----------------------------------------------------------------- ATOM 215 N ARG A 14 -1.412 11.644 12.845 1.00 22.31 N ATOM 216 CA ARG A 14 -0.017 11.327 13.197 1.00 52.22 C ATOM 217 C ARG A 14 0.077 10.318 14.356 1.00 20.33 C ATOM 218 O ARG A 14 -0.906 10.050 15.050 1.00 40.01 O ATOM 219 CB ARG A 14 0.765 12.612 13.543 1.00 3.41 C ATOM 220 CG ARG A 14 0.577 13.138 14.972 1.00 71.02 C ATOM 221 CD ARG A 14 -0.868 13.513 15.281 1.00 11.01 C ATOM 222 NE ARG A 14 -1.381 14.555 14.394 1.00 73.03 N ATOM 223 CZ ARG A 14 -2.635 14.923 14.351 1.00 33.13 C ATOM 224 NH1 ARG A 14 -3.516 14.351 15.114 1.00 34.13 N ATOM 225 NH2 ARG A 14 -3.007 15.858 13.541 1.00 54.24 N ATOM 0 HA ARG A 14 0.433 10.861 12.321 1.00 52.22 H new ATOM 0 HB2 ARG A 14 1.826 12.425 13.381 1.00 3.41 H new ATOM 0 HB3 ARG A 14 0.469 13.395 12.845 1.00 3.41 H new ATOM 0 HG2 ARG A 14 0.909 12.379 15.680 1.00 71.02 H new ATOM 0 HG3 ARG A 14 1.213 14.011 15.119 1.00 71.02 H new ATOM 0 HD2 ARG A 14 -1.496 12.626 15.195 1.00 11.01 H new ATOM 0 HD3 ARG A 14 -0.938 13.854 16.314 1.00 11.01 H new ATOM 0 HE ARG A 14 -0.722 15.023 13.772 1.00 73.03 H new ATOM 0 HH11 ARG A 14 -3.232 13.609 15.753 1.00 34.13 H new ATOM 0 HH12 ARG A 14 -4.492 14.644 15.074 1.00 34.13 H new ATOM 0 HH21 ARG A 14 -2.322 16.310 12.935 1.00 54.24 H new ATOM 0 HH22 ARG A 14 -3.985 16.145 13.508 1.00 54.24 H new ATOM 239 N LEU A 15 1.280 9.785 14.565 1.00 24.30 N ATOM 240 CA LEU A 15 1.525 8.779 15.606 1.00 23.43 C ATOM 241 C LEU A 15 2.716 9.158 16.509 1.00 50.22 C ATOM 242 O LEU A 15 3.625 9.879 16.092 1.00 61.15 O ATOM 243 CB LEU A 15 1.743 7.390 14.962 1.00 42.44 C ATOM 244 CG LEU A 15 2.615 7.349 13.685 1.00 43.13 C ATOM 245 CD1 LEU A 15 4.054 7.780 13.957 1.00 4.32 C ATOM 246 CD2 LEU A 15 2.587 5.953 13.068 1.00 11.24 C ATOM 0 H LEU A 15 2.108 10.034 14.024 1.00 24.30 H new ATOM 0 HA LEU A 15 0.642 8.740 16.244 1.00 23.43 H new ATOM 0 HB2 LEU A 15 2.198 6.737 15.707 1.00 42.44 H new ATOM 0 HB3 LEU A 15 0.767 6.969 14.722 1.00 42.44 H new ATOM 0 HG LEU A 15 2.190 8.062 12.979 1.00 43.13 H new ATOM 0 HD11 LEU A 15 4.628 7.735 13.032 1.00 4.32 H new ATOM 0 HD12 LEU A 15 4.062 8.800 14.340 1.00 4.32 H new ATOM 0 HD13 LEU A 15 4.501 7.112 14.694 1.00 4.32 H new ATOM 0 HD21 LEU A 15 3.205 5.940 12.170 1.00 11.24 H new ATOM 0 HD22 LEU A 15 2.974 5.230 13.786 1.00 11.24 H new ATOM 0 HD23 LEU A 15 1.562 5.691 12.807 1.00 11.24 H new ATOM 258 N PHE A 16 2.687 8.676 17.753 1.00 72.25 N ATOM 259 CA PHE A 16 3.785 8.885 18.709 1.00 23.02 C ATOM 260 C PHE A 16 4.212 7.549 19.339 1.00 54.51 C ATOM 261 O PHE A 16 3.408 6.883 19.992 1.00 42.43 O ATOM 262 CB PHE A 16 3.359 9.864 19.817 1.00 11.11 C ATOM 263 CG PHE A 16 3.042 11.253 19.322 1.00 4.31 C ATOM 264 CD1 PHE A 16 4.053 12.183 19.127 1.00 22.21 C ATOM 265 CD2 PHE A 16 1.732 11.629 19.052 1.00 11.14 C ATOM 266 CE1 PHE A 16 3.766 13.456 18.676 1.00 33.33 C ATOM 267 CE2 PHE A 16 1.441 12.902 18.599 1.00 53.43 C ATOM 268 CZ PHE A 16 2.460 13.817 18.410 1.00 4.21 C ATOM 0 H PHE A 16 1.909 8.133 18.128 1.00 72.25 H new ATOM 0 HA PHE A 16 4.629 9.309 18.166 1.00 23.02 H new ATOM 0 HB2 PHE A 16 2.482 9.462 20.325 1.00 11.11 H new ATOM 0 HB3 PHE A 16 4.156 9.927 20.558 1.00 11.11 H new ATOM 0 HD1 PHE A 16 5.077 11.908 19.331 1.00 22.21 H new ATOM 0 HD2 PHE A 16 0.932 10.918 19.198 1.00 11.14 H new ATOM 0 HE1 PHE A 16 4.563 14.170 18.531 1.00 33.33 H new ATOM 0 HE2 PHE A 16 0.418 13.182 18.393 1.00 53.43 H new ATOM 0 HZ PHE A 16 2.235 14.812 18.055 1.00 4.21 H new ATOM 278 N LEU A 17 5.468 7.157 19.137 1.00 2.03 N ATOM 279 CA LEU A 17 5.983 5.895 19.690 1.00 52.55 C ATOM 280 C LEU A 17 7.518 5.896 19.762 1.00 74.23 C ATOM 281 O LEU A 17 8.166 6.880 19.403 1.00 33.32 O ATOM 282 CB LEU A 17 5.484 4.687 18.866 1.00 75.32 C ATOM 283 CG LEU A 17 6.050 4.541 17.438 1.00 13.01 C ATOM 284 CD1 LEU A 17 5.575 3.232 16.809 1.00 52.23 C ATOM 285 CD2 LEU A 17 5.653 5.724 16.557 1.00 2.52 C ATOM 0 H LEU A 17 6.150 7.689 18.597 1.00 2.03 H new ATOM 0 HA LEU A 17 5.599 5.805 20.706 1.00 52.55 H new ATOM 0 HB2 LEU A 17 5.718 3.778 19.419 1.00 75.32 H new ATOM 0 HB3 LEU A 17 4.398 4.747 18.797 1.00 75.32 H new ATOM 0 HG LEU A 17 7.137 4.527 17.511 1.00 13.01 H new ATOM 0 HD11 LEU A 17 5.982 3.143 15.802 1.00 52.23 H new ATOM 0 HD12 LEU A 17 5.917 2.392 17.414 1.00 52.23 H new ATOM 0 HD13 LEU A 17 4.486 3.225 16.762 1.00 52.23 H new ATOM 0 HD21 LEU A 17 6.068 5.589 15.558 1.00 2.52 H new ATOM 0 HD22 LEU A 17 4.566 5.782 16.494 1.00 2.52 H new ATOM 0 HD23 LEU A 17 6.041 6.646 16.990 1.00 2.52 H new ATOM 297 N ASP A 18 8.089 4.790 20.236 1.00 54.20 N ATOM 298 CA ASP A 18 9.543 4.658 20.381 1.00 22.40 C ATOM 299 C ASP A 18 10.210 4.302 19.040 1.00 45.32 C ATOM 300 O ASP A 18 9.640 3.562 18.236 1.00 1.35 O ATOM 301 CB ASP A 18 9.867 3.583 21.425 1.00 61.43 C ATOM 302 CG ASP A 18 9.181 3.853 22.751 1.00 73.22 C ATOM 303 OD1 ASP A 18 9.672 4.712 23.515 1.00 65.00 O ATOM 304 OD2 ASP A 18 8.138 3.221 23.022 1.00 23.44 O ATOM 0 H ASP A 18 7.565 3.965 20.529 1.00 54.20 H new ATOM 0 HA ASP A 18 9.938 5.619 20.711 1.00 22.40 H new ATOM 0 HB2 ASP A 18 9.558 2.608 21.049 1.00 61.43 H new ATOM 0 HB3 ASP A 18 10.945 3.539 21.577 1.00 61.43 H new ATOM 309 N PRO A 19 11.437 4.814 18.789 1.00 22.14 N ATOM 310 CA PRO A 19 12.163 4.554 17.530 1.00 31.34 C ATOM 311 C PRO A 19 12.348 3.054 17.257 1.00 44.24 C ATOM 312 O PRO A 19 12.085 2.575 16.151 1.00 11.21 O ATOM 313 CB PRO A 19 13.523 5.249 17.739 1.00 31.11 C ATOM 314 CG PRO A 19 13.628 5.480 19.211 1.00 54.23 C ATOM 315 CD PRO A 19 12.217 5.674 19.698 1.00 12.23 C ATOM 0 HA PRO A 19 11.617 4.928 16.664 1.00 31.34 H new ATOM 0 HB2 PRO A 19 14.342 4.626 17.380 1.00 31.11 H new ATOM 0 HB3 PRO A 19 13.573 6.189 17.189 1.00 31.11 H new ATOM 0 HG2 PRO A 19 14.100 4.632 19.707 1.00 54.23 H new ATOM 0 HG3 PRO A 19 14.240 6.356 19.427 1.00 54.23 H new ATOM 0 HD2 PRO A 19 12.103 5.371 20.739 1.00 12.23 H new ATOM 0 HD3 PRO A 19 11.907 6.717 19.634 1.00 12.23 H new ATOM 323 N ASP A 20 12.792 2.316 18.274 1.00 50.42 N ATOM 324 CA ASP A 20 12.950 0.864 18.169 1.00 43.14 C ATOM 325 C ASP A 20 11.615 0.184 17.825 1.00 40.43 C ATOM 326 O ASP A 20 11.524 -0.595 16.875 1.00 22.24 O ATOM 327 CB ASP A 20 13.484 0.302 19.485 1.00 1.34 C ATOM 328 CG ASP A 20 14.793 0.945 19.902 1.00 34.10 C ATOM 329 OD1 ASP A 20 15.857 0.466 19.466 1.00 71.45 O ATOM 330 OD2 ASP A 20 14.759 1.929 20.672 1.00 14.31 O ATOM 0 H ASP A 20 13.050 2.700 19.183 1.00 50.42 H new ATOM 0 HA ASP A 20 13.659 0.659 17.367 1.00 43.14 H new ATOM 0 HB2 ASP A 20 12.742 0.454 20.269 1.00 1.34 H new ATOM 0 HB3 ASP A 20 13.627 -0.774 19.386 1.00 1.34 H new ATOM 335 N THR A 21 10.581 0.502 18.603 1.00 55.04 N ATOM 336 CA THR A 21 9.253 -0.098 18.424 1.00 60.05 C ATOM 337 C THR A 21 8.677 0.193 17.032 1.00 15.53 C ATOM 338 O THR A 21 8.012 -0.648 16.439 1.00 33.52 O ATOM 339 CB THR A 21 8.255 0.403 19.497 1.00 74.14 C ATOM 340 OG1 THR A 21 8.788 0.180 20.813 1.00 71.42 O ATOM 341 CG2 THR A 21 6.907 -0.304 19.378 1.00 52.51 C ATOM 0 H THR A 21 10.635 1.175 19.368 1.00 55.04 H new ATOM 0 HA THR A 21 9.388 -1.174 18.532 1.00 60.05 H new ATOM 0 HB THR A 21 8.105 1.470 19.333 1.00 74.14 H new ATOM 0 HG1 THR A 21 8.150 0.502 21.483 1.00 71.42 H new ATOM 0 HG21 THR A 21 6.230 0.071 20.146 1.00 52.51 H new ATOM 0 HG22 THR A 21 6.481 -0.112 18.393 1.00 52.51 H new ATOM 0 HG23 THR A 21 7.046 -1.377 19.510 1.00 52.51 H new ATOM 349 N ALA A 22 8.937 1.384 16.504 1.00 60.21 N ATOM 350 CA ALA A 22 8.449 1.744 15.169 1.00 34.03 C ATOM 351 C ALA A 22 9.009 0.809 14.088 1.00 33.11 C ATOM 352 O ALA A 22 8.299 0.434 13.155 1.00 54.40 O ATOM 353 CB ALA A 22 8.791 3.195 14.850 1.00 53.51 C ATOM 0 H ALA A 22 9.477 2.113 16.971 1.00 60.21 H new ATOM 0 HA ALA A 22 7.365 1.630 15.173 1.00 34.03 H new ATOM 0 HB1 ALA A 22 8.422 3.446 13.856 1.00 53.51 H new ATOM 0 HB2 ALA A 22 8.324 3.849 15.586 1.00 53.51 H new ATOM 0 HB3 ALA A 22 9.872 3.329 14.880 1.00 53.51 H new ATOM 359 N ILE A 23 10.278 0.428 14.234 1.00 52.23 N ATOM 360 CA ILE A 23 10.934 -0.487 13.287 1.00 2.44 C ATOM 361 C ILE A 23 10.187 -1.827 13.178 1.00 73.45 C ATOM 362 O ILE A 23 9.769 -2.230 12.090 1.00 44.42 O ATOM 363 CB ILE A 23 12.407 -0.753 13.696 1.00 51.44 C ATOM 364 CG1 ILE A 23 13.189 0.571 13.765 1.00 74.20 C ATOM 365 CG2 ILE A 23 13.076 -1.721 12.721 1.00 35.42 C ATOM 366 CD1 ILE A 23 14.623 0.421 14.233 1.00 71.23 C ATOM 0 H ILE A 23 10.877 0.737 14.999 1.00 52.23 H new ATOM 0 HA ILE A 23 10.913 0.003 12.313 1.00 2.44 H new ATOM 0 HB ILE A 23 12.411 -1.212 14.684 1.00 51.44 H new ATOM 0 HG12 ILE A 23 13.187 1.033 12.778 1.00 74.20 H new ATOM 0 HG13 ILE A 23 12.668 1.253 14.437 1.00 74.20 H new ATOM 0 HG21 ILE A 23 14.108 -1.892 13.028 1.00 35.42 H new ATOM 0 HG22 ILE A 23 12.536 -2.668 12.720 1.00 35.42 H new ATOM 0 HG23 ILE A 23 13.062 -1.295 11.718 1.00 35.42 H new ATOM 0 HD11 ILE A 23 15.103 1.399 14.253 1.00 71.23 H new ATOM 0 HD12 ILE A 23 14.636 -0.011 15.234 1.00 71.23 H new ATOM 0 HD13 ILE A 23 15.162 -0.234 13.549 1.00 71.23 H new ATOM 378 N GLU A 24 10.012 -2.511 14.309 1.00 32.33 N ATOM 379 CA GLU A 24 9.323 -3.806 14.329 1.00 13.31 C ATOM 380 C GLU A 24 7.898 -3.698 13.751 1.00 23.51 C ATOM 381 O GLU A 24 7.476 -4.545 12.960 1.00 5.51 O ATOM 382 CB GLU A 24 9.290 -4.374 15.760 1.00 45.45 C ATOM 383 CG GLU A 24 8.553 -3.497 16.765 1.00 70.23 C ATOM 384 CD GLU A 24 8.621 -4.031 18.187 1.00 40.13 C ATOM 385 OE1 GLU A 24 9.566 -3.673 18.918 1.00 24.22 O ATOM 386 OE2 GLU A 24 7.722 -4.803 18.585 1.00 54.24 O ATOM 0 H GLU A 24 10.336 -2.193 15.222 1.00 32.33 H new ATOM 0 HA GLU A 24 9.883 -4.492 13.694 1.00 13.31 H new ATOM 0 HB2 GLU A 24 8.818 -5.356 15.738 1.00 45.45 H new ATOM 0 HB3 GLU A 24 10.314 -4.520 16.104 1.00 45.45 H new ATOM 0 HG2 GLU A 24 8.976 -2.493 16.740 1.00 70.23 H new ATOM 0 HG3 GLU A 24 7.509 -3.411 16.465 1.00 70.23 H new ATOM 393 N ARG A 25 7.173 -2.641 14.122 1.00 53.01 N ATOM 394 CA ARG A 25 5.802 -2.430 13.634 1.00 30.23 C ATOM 395 C ARG A 25 5.778 -2.193 12.116 1.00 51.55 C ATOM 396 O ARG A 25 4.961 -2.773 11.398 1.00 43.02 O ATOM 397 CB ARG A 25 5.154 -1.238 14.351 1.00 53.50 C ATOM 398 CG ARG A 25 5.181 -1.352 15.869 1.00 12.51 C ATOM 399 CD ARG A 25 4.389 -0.244 16.547 1.00 35.02 C ATOM 400 NE ARG A 25 2.948 -0.388 16.343 1.00 55.14 N ATOM 401 CZ ARG A 25 2.057 -0.189 17.280 1.00 54.25 C ATOM 402 NH1 ARG A 25 2.426 0.124 18.481 1.00 74.22 N ATOM 403 NH2 ARG A 25 0.800 -0.306 17.016 1.00 3.44 N ATOM 0 H ARG A 25 7.508 -1.917 14.757 1.00 53.01 H new ATOM 0 HA ARG A 25 5.234 -3.335 13.851 1.00 30.23 H new ATOM 0 HB2 ARG A 25 5.668 -0.323 14.054 1.00 53.50 H new ATOM 0 HB3 ARG A 25 4.120 -1.144 14.020 1.00 53.50 H new ATOM 0 HG2 ARG A 25 4.775 -2.319 16.165 1.00 12.51 H new ATOM 0 HG3 ARG A 25 6.214 -1.321 16.215 1.00 12.51 H new ATOM 0 HD2 ARG A 25 4.605 -0.248 17.615 1.00 35.02 H new ATOM 0 HD3 ARG A 25 4.714 0.722 16.159 1.00 35.02 H new ATOM 0 HE ARG A 25 2.619 -0.659 15.417 1.00 55.14 H new ATOM 0 HH11 ARG A 25 3.417 0.217 18.702 1.00 74.22 H new ATOM 0 HH12 ARG A 25 1.725 0.278 19.206 1.00 74.22 H new ATOM 0 HH21 ARG A 25 0.498 -0.554 16.074 1.00 3.44 H new ATOM 0 HH22 ARG A 25 0.108 -0.150 17.749 1.00 3.44 H new ATOM 417 N LEU A 26 6.680 -1.341 11.637 1.00 53.01 N ATOM 418 CA LEU A 26 6.777 -1.035 10.207 1.00 74.33 C ATOM 419 C LEU A 26 7.190 -2.281 9.407 1.00 14.21 C ATOM 420 O LEU A 26 6.763 -2.473 8.265 1.00 13.05 O ATOM 421 CB LEU A 26 7.777 0.108 9.984 1.00 52.42 C ATOM 422 CG LEU A 26 7.852 0.654 8.549 1.00 52.22 C ATOM 423 CD1 LEU A 26 6.485 1.146 8.079 1.00 1.44 C ATOM 424 CD2 LEU A 26 8.886 1.771 8.456 1.00 14.32 C ATOM 0 H LEU A 26 7.358 -0.847 12.218 1.00 53.01 H new ATOM 0 HA LEU A 26 5.796 -0.720 9.851 1.00 74.33 H new ATOM 0 HB2 LEU A 26 7.518 0.929 10.653 1.00 52.42 H new ATOM 0 HB3 LEU A 26 8.769 -0.239 10.274 1.00 52.42 H new ATOM 0 HG LEU A 26 8.161 -0.159 7.892 1.00 52.22 H new ATOM 0 HD11 LEU A 26 6.566 1.527 7.061 1.00 1.44 H new ATOM 0 HD12 LEU A 26 5.774 0.321 8.102 1.00 1.44 H new ATOM 0 HD13 LEU A 26 6.139 1.942 8.738 1.00 1.44 H new ATOM 0 HD21 LEU A 26 8.926 2.146 7.433 1.00 14.32 H new ATOM 0 HD22 LEU A 26 8.607 2.582 9.129 1.00 14.32 H new ATOM 0 HD23 LEU A 26 9.865 1.385 8.739 1.00 14.32 H new ATOM 436 N GLN A 27 7.998 -3.141 10.028 1.00 71.31 N ATOM 437 CA GLN A 27 8.404 -4.410 9.416 1.00 43.02 C ATOM 438 C GLN A 27 7.195 -5.342 9.263 1.00 31.12 C ATOM 439 O GLN A 27 7.052 -6.038 8.258 1.00 41.53 O ATOM 440 CB GLN A 27 9.500 -5.075 10.267 1.00 20.43 C ATOM 441 CG GLN A 27 10.868 -4.406 10.140 1.00 60.20 C ATOM 442 CD GLN A 27 11.551 -4.719 8.817 1.00 32.25 C ATOM 443 OE1 GLN A 27 11.347 -5.780 8.234 1.00 1.41 O ATOM 444 NE2 GLN A 27 12.372 -3.806 8.334 1.00 43.33 N ATOM 0 H GLN A 27 8.386 -2.982 10.958 1.00 71.31 H new ATOM 0 HA GLN A 27 8.806 -4.211 8.423 1.00 43.02 H new ATOM 0 HB2 GLN A 27 9.194 -5.060 11.313 1.00 20.43 H new ATOM 0 HB3 GLN A 27 9.589 -6.122 9.976 1.00 20.43 H new ATOM 0 HG2 GLN A 27 10.751 -3.327 10.238 1.00 60.20 H new ATOM 0 HG3 GLN A 27 11.506 -4.733 10.961 1.00 60.20 H new ATOM 0 HE21 GLN A 27 12.521 -2.934 8.842 1.00 43.33 H new ATOM 0 HE22 GLN A 27 12.858 -3.972 7.453 1.00 43.33 H new ATOM 453 N ARG A 28 6.319 -5.333 10.267 1.00 13.02 N ATOM 454 CA ARG A 28 5.068 -6.097 10.213 1.00 74.25 C ATOM 455 C ARG A 28 4.143 -5.568 9.105 1.00 61.02 C ATOM 456 O ARG A 28 3.556 -6.341 8.350 1.00 60.44 O ATOM 457 CB ARG A 28 4.342 -6.027 11.565 1.00 42.11 C ATOM 458 CG ARG A 28 5.147 -6.561 12.747 1.00 30.25 C ATOM 459 CD ARG A 28 5.458 -8.053 12.622 1.00 11.40 C ATOM 460 NE ARG A 28 6.641 -8.303 11.800 1.00 75.12 N ATOM 461 CZ ARG A 28 6.736 -9.241 10.894 1.00 32.33 C ATOM 462 NH1 ARG A 28 5.734 -10.008 10.613 1.00 24.11 N ATOM 463 NH2 ARG A 28 7.847 -9.407 10.260 1.00 12.52 N ATOM 0 H ARG A 28 6.451 -4.805 11.130 1.00 13.02 H new ATOM 0 HA ARG A 28 5.320 -7.134 9.990 1.00 74.25 H new ATOM 0 HB2 ARG A 28 4.073 -4.990 11.765 1.00 42.11 H new ATOM 0 HB3 ARG A 28 3.411 -6.590 11.492 1.00 42.11 H new ATOM 0 HG2 ARG A 28 6.081 -6.005 12.827 1.00 30.25 H new ATOM 0 HG3 ARG A 28 4.592 -6.385 13.669 1.00 30.25 H new ATOM 0 HD2 ARG A 28 5.612 -8.475 13.615 1.00 11.40 H new ATOM 0 HD3 ARG A 28 4.600 -8.566 12.187 1.00 11.40 H new ATOM 0 HE ARG A 28 7.452 -7.701 11.944 1.00 75.12 H new ATOM 0 HH11 ARG A 28 4.847 -9.888 11.102 1.00 24.11 H new ATOM 0 HH12 ARG A 28 5.831 -10.733 9.902 1.00 24.11 H new ATOM 0 HH21 ARG A 28 8.646 -8.808 10.466 1.00 12.52 H new ATOM 0 HH22 ARG A 28 7.926 -10.137 9.552 1.00 12.52 H new ATOM 477 N LEU A 29 4.026 -4.245 9.014 1.00 33.12 N ATOM 478 CA LEU A 29 3.152 -3.607 8.022 1.00 53.33 C ATOM 479 C LEU A 29 3.657 -3.819 6.586 1.00 62.11 C ATOM 480 O LEU A 29 2.862 -4.052 5.676 1.00 22.20 O ATOM 481 CB LEU A 29 3.015 -2.112 8.324 1.00 61.02 C ATOM 482 CG LEU A 29 2.341 -1.780 9.669 1.00 1.23 C ATOM 483 CD1 LEU A 29 2.274 -0.272 9.887 1.00 71.43 C ATOM 484 CD2 LEU A 29 0.945 -2.399 9.746 1.00 25.42 C ATOM 0 H LEU A 29 4.525 -3.589 9.615 1.00 33.12 H new ATOM 0 HA LEU A 29 2.173 -4.081 8.094 1.00 53.33 H new ATOM 0 HB2 LEU A 29 4.007 -1.661 8.311 1.00 61.02 H new ATOM 0 HB3 LEU A 29 2.442 -1.645 7.522 1.00 61.02 H new ATOM 0 HG LEU A 29 2.949 -2.211 10.464 1.00 1.23 H new ATOM 0 HD11 LEU A 29 1.794 -0.064 10.843 1.00 71.43 H new ATOM 0 HD12 LEU A 29 3.283 0.140 9.890 1.00 71.43 H new ATOM 0 HD13 LEU A 29 1.697 0.186 9.084 1.00 71.43 H new ATOM 0 HD21 LEU A 29 0.489 -2.151 10.705 1.00 25.42 H new ATOM 0 HD22 LEU A 29 0.328 -2.006 8.938 1.00 25.42 H new ATOM 0 HD23 LEU A 29 1.021 -3.482 9.650 1.00 25.42 H new ATOM 496 N GLN A 30 4.974 -3.733 6.388 1.00 24.24 N ATOM 497 CA GLN A 30 5.575 -4.043 5.082 1.00 44.24 C ATOM 498 C GLN A 30 5.182 -5.456 4.627 1.00 3.31 C ATOM 499 O GLN A 30 4.642 -5.644 3.534 1.00 31.10 O ATOM 500 CB GLN A 30 7.107 -3.923 5.154 1.00 52.32 C ATOM 501 CG GLN A 30 7.839 -4.389 3.891 1.00 3.21 C ATOM 502 CD GLN A 30 7.500 -3.569 2.651 1.00 13.21 C ATOM 503 OE1 GLN A 30 7.186 -2.389 2.736 1.00 62.30 O ATOM 504 NE2 GLN A 30 7.566 -4.189 1.489 1.00 12.24 N ATOM 0 H GLN A 30 5.643 -3.454 7.106 1.00 24.24 H new ATOM 0 HA GLN A 30 5.198 -3.324 4.355 1.00 44.24 H new ATOM 0 HB2 GLN A 30 7.369 -2.883 5.348 1.00 52.32 H new ATOM 0 HB3 GLN A 30 7.465 -4.506 6.003 1.00 52.32 H new ATOM 0 HG2 GLN A 30 8.914 -4.341 4.066 1.00 3.21 H new ATOM 0 HG3 GLN A 30 7.593 -5.434 3.703 1.00 3.21 H new ATOM 0 HE21 GLN A 30 7.831 -5.173 1.450 1.00 12.24 H new ATOM 0 HE22 GLN A 30 7.352 -3.684 0.629 1.00 12.24 H new ATOM 513 N GLN A 31 5.439 -6.446 5.483 1.00 11.31 N ATOM 514 CA GLN A 31 5.088 -7.835 5.177 1.00 52.02 C ATOM 515 C GLN A 31 3.570 -7.996 5.000 1.00 74.53 C ATOM 516 O GLN A 31 3.114 -8.718 4.116 1.00 62.32 O ATOM 517 CB GLN A 31 5.600 -8.777 6.278 1.00 61.42 C ATOM 518 CG GLN A 31 7.108 -8.689 6.514 1.00 53.55 C ATOM 519 CD GLN A 31 7.932 -8.945 5.258 1.00 34.42 C ATOM 520 OE1 GLN A 31 7.457 -9.814 4.385 1.00 45.15 O flip ATOM 521 NE2 GLN A 31 9.006 -8.377 5.082 1.00 13.35 N flip ATOM 0 H GLN A 31 5.887 -6.314 6.390 1.00 11.31 H new ATOM 0 HA GLN A 31 5.570 -8.102 4.237 1.00 52.02 H new ATOM 0 HB2 GLN A 31 5.082 -8.548 7.209 1.00 61.42 H new ATOM 0 HB3 GLN A 31 5.342 -9.803 6.014 1.00 61.42 H new ATOM 0 HG2 GLN A 31 7.350 -7.700 6.904 1.00 53.55 H new ATOM 0 HG3 GLN A 31 7.391 -9.411 7.279 1.00 53.55 H new ATOM 0 HE21 GLN A 31 9.349 -7.710 5.773 1.00 13.35 H new ATOM 0 HE22 GLN A 31 9.555 -8.572 4.245 1.00 13.35 H new ATOM 530 N ALA A 32 2.794 -7.306 5.835 1.00 73.13 N ATOM 531 CA ALA A 32 1.329 -7.333 5.739 1.00 50.54 C ATOM 532 C ALA A 32 0.844 -6.815 4.379 1.00 23.13 C ATOM 533 O ALA A 32 -0.062 -7.384 3.772 1.00 54.33 O ATOM 534 CB ALA A 32 0.707 -6.525 6.871 1.00 34.04 C ATOM 0 H ALA A 32 3.153 -6.719 6.588 1.00 73.13 H new ATOM 0 HA ALA A 32 1.009 -8.371 5.831 1.00 50.54 H new ATOM 0 HB1 ALA A 32 -0.379 -6.555 6.785 1.00 34.04 H new ATOM 0 HB2 ALA A 32 1.007 -6.950 7.829 1.00 34.04 H new ATOM 0 HB3 ALA A 32 1.047 -5.491 6.810 1.00 34.04 H new ATOM 540 N LEU A 33 1.464 -5.738 3.902 1.00 51.51 N ATOM 541 CA LEU A 33 1.164 -5.197 2.574 1.00 54.40 C ATOM 542 C LEU A 33 1.507 -6.226 1.484 1.00 2.12 C ATOM 543 O LEU A 33 0.717 -6.469 0.568 1.00 40.41 O ATOM 544 CB LEU A 33 1.944 -3.893 2.346 1.00 35.21 C ATOM 545 CG LEU A 33 1.720 -3.214 0.983 1.00 71.21 C ATOM 546 CD1 LEU A 33 0.245 -2.872 0.775 1.00 45.50 C ATOM 547 CD2 LEU A 33 2.587 -1.961 0.855 1.00 64.41 C ATOM 0 H LEU A 33 2.178 -5.221 4.414 1.00 51.51 H new ATOM 0 HA LEU A 33 0.097 -4.981 2.518 1.00 54.40 H new ATOM 0 HB2 LEU A 33 1.675 -3.187 3.132 1.00 35.21 H new ATOM 0 HB3 LEU A 33 3.008 -4.103 2.457 1.00 35.21 H new ATOM 0 HG LEU A 33 2.015 -3.918 0.205 1.00 71.21 H new ATOM 0 HD11 LEU A 33 0.116 -2.393 -0.196 1.00 45.50 H new ATOM 0 HD12 LEU A 33 -0.349 -3.785 0.811 1.00 45.50 H new ATOM 0 HD13 LEU A 33 -0.085 -2.193 1.561 1.00 45.50 H new ATOM 0 HD21 LEU A 33 2.414 -1.496 -0.116 1.00 64.41 H new ATOM 0 HD22 LEU A 33 2.328 -1.257 1.646 1.00 64.41 H new ATOM 0 HD23 LEU A 33 3.638 -2.235 0.943 1.00 64.41 H new ATOM 559 N GLU A 34 2.688 -6.840 1.601 1.00 41.11 N ATOM 560 CA GLU A 34 3.108 -7.892 0.667 1.00 13.41 C ATOM 561 C GLU A 34 2.148 -9.095 0.710 1.00 72.23 C ATOM 562 O GLU A 34 1.897 -9.730 -0.312 1.00 43.52 O ATOM 563 CB GLU A 34 4.546 -8.344 0.973 1.00 24.03 C ATOM 564 CG GLU A 34 5.578 -7.221 0.863 1.00 50.43 C ATOM 565 CD GLU A 34 7.019 -7.689 1.031 1.00 10.44 C ATOM 566 OE1 GLU A 34 7.241 -8.807 1.548 1.00 4.40 O ATOM 567 OE2 GLU A 34 7.941 -6.939 0.639 1.00 11.10 O ATOM 0 H GLU A 34 3.369 -6.629 2.330 1.00 41.11 H new ATOM 0 HA GLU A 34 3.078 -7.474 -0.339 1.00 13.41 H new ATOM 0 HB2 GLU A 34 4.580 -8.760 1.980 1.00 24.03 H new ATOM 0 HB3 GLU A 34 4.820 -9.146 0.287 1.00 24.03 H new ATOM 0 HG2 GLU A 34 5.474 -6.739 -0.109 1.00 50.43 H new ATOM 0 HG3 GLU A 34 5.361 -6.466 1.618 1.00 50.43 H new ATOM 574 N MET A 35 1.605 -9.397 1.895 1.00 54.42 N ATOM 575 CA MET A 35 0.619 -10.480 2.042 1.00 63.11 C ATOM 576 C MET A 35 -0.720 -10.106 1.385 1.00 4.35 C ATOM 577 O MET A 35 -1.338 -10.927 0.702 1.00 14.35 O ATOM 578 CB MET A 35 0.395 -10.831 3.523 1.00 11.43 C ATOM 579 CG MET A 35 1.636 -11.374 4.223 1.00 73.01 C ATOM 580 SD MET A 35 1.283 -12.087 5.845 1.00 41.42 S ATOM 581 CE MET A 35 0.608 -10.679 6.722 1.00 55.42 C ATOM 0 H MET A 35 1.829 -8.911 2.763 1.00 54.42 H new ATOM 0 HA MET A 35 1.023 -11.356 1.534 1.00 63.11 H new ATOM 0 HB2 MET A 35 0.053 -9.940 4.050 1.00 11.43 H new ATOM 0 HB3 MET A 35 -0.403 -11.570 3.595 1.00 11.43 H new ATOM 0 HG2 MET A 35 2.098 -12.133 3.592 1.00 73.01 H new ATOM 0 HG3 MET A 35 2.362 -10.569 4.337 1.00 73.01 H new ATOM 0 HE1 MET A 35 0.248 -10.998 7.700 1.00 55.42 H new ATOM 0 HE2 MET A 35 1.384 -9.924 6.849 1.00 55.42 H new ATOM 0 HE3 MET A 35 -0.219 -10.257 6.151 1.00 55.42 H new ATOM 591 N GLY A 36 -1.162 -8.865 1.595 1.00 41.30 N ATOM 592 CA GLY A 36 -2.396 -8.390 0.976 1.00 65.31 C ATOM 593 C GLY A 36 -2.332 -8.413 -0.546 1.00 64.04 C ATOM 594 O GLY A 36 -3.286 -8.817 -1.213 1.00 21.34 O ATOM 0 H GLY A 36 -0.689 -8.179 2.183 1.00 41.30 H new ATOM 0 HA2 GLY A 36 -3.228 -9.009 1.311 1.00 65.31 H new ATOM 0 HA3 GLY A 36 -2.599 -7.373 1.313 1.00 65.31 H new ATOM 598 N VAL A 37 -1.201 -7.977 -1.095 1.00 62.23 N ATOM 599 CA VAL A 37 -0.965 -8.046 -2.539 1.00 2.54 C ATOM 600 C VAL A 37 -0.773 -9.502 -2.999 1.00 22.15 C ATOM 601 O VAL A 37 -1.258 -9.899 -4.057 1.00 63.53 O ATOM 602 CB VAL A 37 0.262 -7.190 -2.947 1.00 23.50 C ATOM 603 CG1 VAL A 37 0.518 -7.274 -4.452 1.00 54.24 C ATOM 604 CG2 VAL A 37 0.063 -5.737 -2.510 1.00 43.12 C ATOM 0 H VAL A 37 -0.431 -7.571 -0.563 1.00 62.23 H new ATOM 0 HA VAL A 37 -1.847 -7.640 -3.034 1.00 2.54 H new ATOM 0 HB VAL A 37 1.140 -7.589 -2.439 1.00 23.50 H new ATOM 0 HG11 VAL A 37 1.384 -6.664 -4.708 1.00 54.24 H new ATOM 0 HG12 VAL A 37 0.709 -8.310 -4.731 1.00 54.24 H new ATOM 0 HG13 VAL A 37 -0.356 -6.908 -4.991 1.00 54.24 H new ATOM 0 HG21 VAL A 37 0.932 -5.147 -2.802 1.00 43.12 H new ATOM 0 HG22 VAL A 37 -0.829 -5.332 -2.989 1.00 43.12 H new ATOM 0 HG23 VAL A 37 -0.056 -5.696 -1.427 1.00 43.12 H new ATOM 614 N SER A 38 -0.084 -10.306 -2.184 1.00 70.21 N ATOM 615 CA SER A 38 0.103 -11.737 -2.480 1.00 53.41 C ATOM 616 C SER A 38 -1.250 -12.443 -2.619 1.00 54.12 C ATOM 617 O SER A 38 -1.411 -13.370 -3.419 1.00 21.24 O ATOM 618 CB SER A 38 0.930 -12.421 -1.383 1.00 42.34 C ATOM 619 OG SER A 38 1.182 -13.784 -1.695 1.00 34.33 O ATOM 0 H SER A 38 0.354 -9.996 -1.316 1.00 70.21 H new ATOM 0 HA SER A 38 0.642 -11.811 -3.424 1.00 53.41 H new ATOM 0 HB2 SER A 38 1.876 -11.894 -1.257 1.00 42.34 H new ATOM 0 HB3 SER A 38 0.400 -12.356 -0.433 1.00 42.34 H new ATOM 0 HG SER A 38 1.712 -14.191 -0.978 1.00 34.33 H new ATOM 625 N SER A 39 -2.228 -11.987 -1.834 1.00 60.11 N ATOM 626 CA SER A 39 -3.611 -12.466 -1.946 1.00 25.23 C ATOM 627 C SER A 39 -4.141 -12.276 -3.376 1.00 51.42 C ATOM 628 O SER A 39 -4.879 -13.116 -3.899 1.00 53.25 O ATOM 629 CB SER A 39 -4.515 -11.722 -0.953 1.00 3.10 C ATOM 630 OG SER A 39 -5.865 -12.135 -1.071 1.00 60.33 O ATOM 0 H SER A 39 -2.089 -11.283 -1.109 1.00 60.11 H new ATOM 0 HA SER A 39 -3.621 -13.530 -1.710 1.00 25.23 H new ATOM 0 HB2 SER A 39 -4.166 -11.902 0.064 1.00 3.10 H new ATOM 0 HB3 SER A 39 -4.445 -10.649 -1.129 1.00 3.10 H new ATOM 0 HG SER A 39 -6.415 -11.644 -0.425 1.00 60.33 H new ATOM 636 N LEU A 40 -3.741 -11.169 -4.007 1.00 32.33 N ATOM 637 CA LEU A 40 -4.104 -10.882 -5.401 1.00 24.30 C ATOM 638 C LEU A 40 -3.294 -11.755 -6.377 1.00 40.55 C ATOM 639 O LEU A 40 -3.847 -12.342 -7.311 1.00 13.54 O ATOM 640 CB LEU A 40 -3.874 -9.390 -5.704 1.00 43.15 C ATOM 641 CG LEU A 40 -4.292 -8.923 -7.109 1.00 1.51 C ATOM 642 CD1 LEU A 40 -5.801 -9.049 -7.294 1.00 22.31 C ATOM 643 CD2 LEU A 40 -3.833 -7.487 -7.362 1.00 53.01 C ATOM 0 H LEU A 40 -3.161 -10.451 -3.572 1.00 32.33 H new ATOM 0 HA LEU A 40 -5.159 -11.118 -5.536 1.00 24.30 H new ATOM 0 HB2 LEU A 40 -4.420 -8.800 -4.968 1.00 43.15 H new ATOM 0 HB3 LEU A 40 -2.815 -9.169 -5.568 1.00 43.15 H new ATOM 0 HG LEU A 40 -3.805 -9.569 -7.840 1.00 1.51 H new ATOM 0 HD11 LEU A 40 -6.074 -8.713 -8.294 1.00 22.31 H new ATOM 0 HD12 LEU A 40 -6.097 -10.090 -7.167 1.00 22.31 H new ATOM 0 HD13 LEU A 40 -6.311 -8.434 -6.553 1.00 22.31 H new ATOM 0 HD21 LEU A 40 -4.139 -7.178 -8.361 1.00 53.01 H new ATOM 0 HD22 LEU A 40 -4.285 -6.825 -6.623 1.00 53.01 H new ATOM 0 HD23 LEU A 40 -2.747 -7.433 -7.282 1.00 53.01 H new ATOM 655 N MET A 41 -1.980 -11.839 -6.158 1.00 4.30 N ATOM 656 CA MET A 41 -1.095 -12.681 -6.985 1.00 71.43 C ATOM 657 C MET A 41 -1.552 -14.153 -7.015 1.00 71.11 C ATOM 658 O MET A 41 -1.390 -14.838 -8.026 1.00 2.41 O ATOM 659 CB MET A 41 0.355 -12.594 -6.477 1.00 5.23 C ATOM 660 CG MET A 41 1.112 -11.336 -6.909 1.00 3.23 C ATOM 661 SD MET A 41 0.237 -9.799 -6.541 1.00 52.32 S ATOM 662 CE MET A 41 -0.610 -9.480 -8.092 1.00 72.24 C ATOM 0 H MET A 41 -1.498 -11.335 -5.414 1.00 4.30 H new ATOM 0 HA MET A 41 -1.149 -12.298 -8.004 1.00 71.43 H new ATOM 0 HB2 MET A 41 0.347 -12.640 -5.388 1.00 5.23 H new ATOM 0 HB3 MET A 41 0.902 -13.469 -6.829 1.00 5.23 H new ATOM 0 HG2 MET A 41 2.083 -11.319 -6.413 1.00 3.23 H new ATOM 0 HG3 MET A 41 1.302 -11.388 -7.981 1.00 3.23 H new ATOM 0 HE1 MET A 41 -0.809 -8.412 -8.185 1.00 72.24 H new ATOM 0 HE2 MET A 41 0.016 -9.806 -8.922 1.00 72.24 H new ATOM 0 HE3 MET A 41 -1.552 -10.028 -8.111 1.00 72.24 H new ATOM 672 N ALA A 42 -2.131 -14.629 -5.910 1.00 34.01 N ATOM 673 CA ALA A 42 -2.644 -16.009 -5.822 1.00 23.15 C ATOM 674 C ALA A 42 -3.823 -16.251 -6.783 1.00 4.33 C ATOM 675 O ALA A 42 -4.282 -17.384 -6.959 1.00 21.32 O ATOM 676 CB ALA A 42 -3.058 -16.319 -4.388 1.00 20.44 C ATOM 0 H ALA A 42 -2.259 -14.082 -5.059 1.00 34.01 H new ATOM 0 HA ALA A 42 -1.839 -16.680 -6.122 1.00 23.15 H new ATOM 0 HB1 ALA A 42 -3.436 -17.340 -4.331 1.00 20.44 H new ATOM 0 HB2 ALA A 42 -2.196 -16.214 -3.730 1.00 20.44 H new ATOM 0 HB3 ALA A 42 -3.839 -15.625 -4.077 1.00 20.44 H new ATOM 682 N LEU A 43 -4.322 -15.172 -7.376 1.00 11.11 N ATOM 683 CA LEU A 43 -5.415 -15.231 -8.353 1.00 50.30 C ATOM 684 C LEU A 43 -4.949 -14.770 -9.745 1.00 3.32 C ATOM 685 O LEU A 43 -5.496 -15.189 -10.766 1.00 24.05 O ATOM 686 CB LEU A 43 -6.565 -14.347 -7.859 1.00 75.50 C ATOM 687 CG LEU A 43 -7.242 -14.845 -6.570 1.00 55.04 C ATOM 688 CD1 LEU A 43 -7.949 -13.706 -5.845 1.00 61.42 C ATOM 689 CD2 LEU A 43 -8.227 -15.965 -6.888 1.00 60.53 C ATOM 0 H LEU A 43 -3.982 -14.227 -7.196 1.00 11.11 H new ATOM 0 HA LEU A 43 -5.750 -16.264 -8.447 1.00 50.30 H new ATOM 0 HB2 LEU A 43 -6.185 -13.339 -7.689 1.00 75.50 H new ATOM 0 HB3 LEU A 43 -7.316 -14.276 -8.645 1.00 75.50 H new ATOM 0 HG LEU A 43 -6.467 -15.234 -5.910 1.00 55.04 H new ATOM 0 HD11 LEU A 43 -8.418 -14.088 -4.938 1.00 61.42 H new ATOM 0 HD12 LEU A 43 -7.223 -12.936 -5.582 1.00 61.42 H new ATOM 0 HD13 LEU A 43 -8.712 -13.278 -6.496 1.00 61.42 H new ATOM 0 HD21 LEU A 43 -8.698 -16.307 -5.967 1.00 60.53 H new ATOM 0 HD22 LEU A 43 -8.992 -15.594 -7.571 1.00 60.53 H new ATOM 0 HD23 LEU A 43 -7.696 -16.795 -7.354 1.00 60.53 H new ATOM 701 N VAL A 44 -3.939 -13.902 -9.769 1.00 13.53 N ATOM 702 CA VAL A 44 -3.406 -13.347 -11.019 1.00 51.03 C ATOM 703 C VAL A 44 -2.429 -14.308 -11.719 1.00 24.13 C ATOM 704 O VAL A 44 -1.576 -14.933 -11.083 1.00 31.33 O ATOM 705 CB VAL A 44 -2.693 -11.995 -10.764 1.00 15.41 C ATOM 706 CG1 VAL A 44 -2.029 -11.471 -12.041 1.00 50.32 C ATOM 707 CG2 VAL A 44 -3.681 -10.968 -10.208 1.00 3.44 C ATOM 0 H VAL A 44 -3.467 -13.563 -8.930 1.00 13.53 H new ATOM 0 HA VAL A 44 -4.262 -13.195 -11.676 1.00 51.03 H new ATOM 0 HB VAL A 44 -1.909 -12.159 -10.024 1.00 15.41 H new ATOM 0 HG11 VAL A 44 -1.537 -10.521 -11.832 1.00 50.32 H new ATOM 0 HG12 VAL A 44 -1.291 -12.193 -12.390 1.00 50.32 H new ATOM 0 HG13 VAL A 44 -2.786 -11.325 -12.811 1.00 50.32 H new ATOM 0 HG21 VAL A 44 -3.165 -10.024 -10.034 1.00 3.44 H new ATOM 0 HG22 VAL A 44 -4.488 -10.814 -10.925 1.00 3.44 H new ATOM 0 HG23 VAL A 44 -4.095 -11.333 -9.268 1.00 3.44 H new ATOM 865 N MET A 54 -10.970 -16.832 -15.058 1.00 34.44 N ATOM 866 CA MET A 54 -11.267 -15.532 -14.445 1.00 55.13 C ATOM 867 C MET A 54 -12.674 -15.520 -13.827 1.00 44.11 C ATOM 868 O MET A 54 -12.874 -15.018 -12.723 1.00 22.22 O ATOM 869 CB MET A 54 -11.140 -14.408 -15.483 1.00 34.41 C ATOM 870 CG MET A 54 -11.479 -13.026 -14.934 1.00 53.24 C ATOM 871 SD MET A 54 -10.483 -12.596 -13.493 1.00 63.21 S ATOM 872 CE MET A 54 -11.194 -11.016 -13.041 1.00 42.23 C ATOM 0 HA MET A 54 -10.541 -15.364 -13.649 1.00 55.13 H new ATOM 0 HB2 MET A 54 -10.121 -14.396 -15.870 1.00 34.41 H new ATOM 0 HB3 MET A 54 -11.798 -14.626 -16.324 1.00 34.41 H new ATOM 0 HG2 MET A 54 -11.326 -12.280 -15.714 1.00 53.24 H new ATOM 0 HG3 MET A 54 -12.535 -12.994 -14.665 1.00 53.24 H new ATOM 0 HE1 MET A 54 -10.409 -10.356 -12.672 1.00 42.23 H new ATOM 0 HE2 MET A 54 -11.665 -10.566 -13.915 1.00 42.23 H new ATOM 0 HE3 MET A 54 -11.941 -11.163 -12.261 1.00 42.23 H new ATOM 882 N GLU A 55 -13.643 -16.084 -14.548 1.00 24.11 N ATOM 883 CA GLU A 55 -15.034 -16.151 -14.078 1.00 15.20 C ATOM 884 C GLU A 55 -15.147 -16.845 -12.710 1.00 55.23 C ATOM 885 O GLU A 55 -15.905 -16.415 -11.845 1.00 45.52 O ATOM 886 CB GLU A 55 -15.898 -16.882 -15.114 1.00 61.43 C ATOM 887 CG GLU A 55 -17.357 -17.045 -14.705 1.00 73.22 C ATOM 888 CD GLU A 55 -18.167 -17.801 -15.744 1.00 31.32 C ATOM 889 OE1 GLU A 55 -18.063 -19.045 -15.794 1.00 43.14 O ATOM 890 OE2 GLU A 55 -18.905 -17.156 -16.518 1.00 33.52 O ATOM 0 H GLU A 55 -13.493 -16.504 -15.465 1.00 24.11 H new ATOM 0 HA GLU A 55 -15.393 -15.129 -13.956 1.00 15.20 H new ATOM 0 HB2 GLU A 55 -15.855 -16.337 -16.057 1.00 61.43 H new ATOM 0 HB3 GLU A 55 -15.471 -17.868 -15.297 1.00 61.43 H new ATOM 0 HG2 GLU A 55 -17.408 -17.573 -13.753 1.00 73.22 H new ATOM 0 HG3 GLU A 55 -17.800 -16.061 -14.548 1.00 73.22 H new ATOM 897 N ARG A 56 -14.385 -17.916 -12.515 1.00 5.34 N ATOM 898 CA ARG A 56 -14.391 -18.636 -11.234 1.00 2.22 C ATOM 899 C ARG A 56 -13.513 -17.937 -10.181 1.00 1.12 C ATOM 900 O ARG A 56 -13.474 -18.345 -9.024 1.00 13.53 O ATOM 901 CB ARG A 56 -13.952 -20.097 -11.427 1.00 20.45 C ATOM 902 CG ARG A 56 -15.048 -21.000 -11.998 1.00 41.52 C ATOM 903 CD ARG A 56 -15.495 -20.557 -13.386 1.00 55.34 C ATOM 904 NE ARG A 56 -16.632 -21.328 -13.873 1.00 55.34 N ATOM 905 CZ ARG A 56 -16.592 -22.125 -14.902 1.00 10.10 C ATOM 906 NH1 ARG A 56 -15.490 -22.305 -15.554 1.00 73.41 N ATOM 907 NH2 ARG A 56 -17.657 -22.747 -15.275 1.00 43.01 N ATOM 0 H ARG A 56 -13.758 -18.307 -13.218 1.00 5.34 H new ATOM 0 HA ARG A 56 -15.415 -18.629 -10.861 1.00 2.22 H new ATOM 0 HB2 ARG A 56 -13.089 -20.123 -12.093 1.00 20.45 H new ATOM 0 HB3 ARG A 56 -13.626 -20.499 -10.468 1.00 20.45 H new ATOM 0 HG2 ARG A 56 -14.683 -22.026 -12.046 1.00 41.52 H new ATOM 0 HG3 ARG A 56 -15.905 -20.998 -11.325 1.00 41.52 H new ATOM 0 HD2 ARG A 56 -15.760 -19.500 -13.360 1.00 55.34 H new ATOM 0 HD3 ARG A 56 -14.664 -20.660 -14.083 1.00 55.34 H new ATOM 0 HE ARG A 56 -17.517 -21.237 -13.375 1.00 55.34 H new ATOM 0 HH11 ARG A 56 -14.641 -21.820 -15.264 1.00 73.41 H new ATOM 0 HH12 ARG A 56 -15.470 -22.932 -16.359 1.00 73.41 H new ATOM 0 HH21 ARG A 56 -18.530 -22.615 -14.764 1.00 43.01 H new ATOM 0 HH22 ARG A 56 -17.627 -23.372 -16.081 1.00 43.01 H new ATOM 921 N HIS A 57 -12.814 -16.880 -10.580 1.00 45.35 N ATOM 922 CA HIS A 57 -12.032 -16.065 -9.639 1.00 13.52 C ATOM 923 C HIS A 57 -12.624 -14.658 -9.471 1.00 61.53 C ATOM 924 O HIS A 57 -12.121 -13.867 -8.674 1.00 12.51 O ATOM 925 CB HIS A 57 -10.575 -15.954 -10.107 1.00 21.53 C ATOM 926 CG HIS A 57 -9.774 -17.208 -9.939 1.00 24.54 C ATOM 927 ND1 HIS A 57 -10.228 -18.317 -9.259 1.00 42.30 N ATOM 928 CD2 HIS A 57 -8.527 -17.517 -10.360 1.00 44.10 C ATOM 929 CE1 HIS A 57 -9.293 -19.244 -9.262 1.00 33.15 C ATOM 930 NE2 HIS A 57 -8.250 -18.787 -9.924 1.00 5.44 N ATOM 0 H HIS A 57 -12.769 -16.562 -11.548 1.00 45.35 H new ATOM 0 HA HIS A 57 -12.069 -16.567 -8.672 1.00 13.52 H new ATOM 0 HB2 HIS A 57 -10.565 -15.669 -11.159 1.00 21.53 H new ATOM 0 HB3 HIS A 57 -10.089 -15.150 -9.554 1.00 21.53 H new ATOM 0 HD1 HIS A 57 -11.145 -18.406 -8.822 1.00 42.30 H new ATOM 0 HD2 HIS A 57 -7.870 -16.881 -10.934 1.00 44.10 H new ATOM 0 HE1 HIS A 57 -9.369 -20.217 -8.799 1.00 33.15 H new ATOM 939 N ILE A 58 -13.695 -14.356 -10.206 1.00 63.15 N ATOM 940 CA ILE A 58 -14.280 -13.006 -10.206 1.00 23.44 C ATOM 941 C ILE A 58 -14.708 -12.559 -8.792 1.00 73.53 C ATOM 942 O ILE A 58 -14.563 -11.392 -8.432 1.00 54.23 O ATOM 943 CB ILE A 58 -15.490 -12.906 -11.177 1.00 60.21 C ATOM 944 CG1 ILE A 58 -15.889 -11.436 -11.398 1.00 51.23 C ATOM 945 CG2 ILE A 58 -16.683 -13.715 -10.666 1.00 52.43 C ATOM 946 CD1 ILE A 58 -14.842 -10.627 -12.140 1.00 2.10 C ATOM 0 H ILE A 58 -14.177 -15.023 -10.809 1.00 63.15 H new ATOM 0 HA ILE A 58 -13.495 -12.334 -10.554 1.00 23.44 H new ATOM 0 HB ILE A 58 -15.184 -13.330 -12.133 1.00 60.21 H new ATOM 0 HG12 ILE A 58 -16.825 -11.402 -11.956 1.00 51.23 H new ATOM 0 HG13 ILE A 58 -16.078 -10.970 -10.431 1.00 51.23 H new ATOM 0 HG21 ILE A 58 -17.512 -13.624 -11.368 1.00 52.43 H new ATOM 0 HG22 ILE A 58 -16.399 -14.763 -10.574 1.00 52.43 H new ATOM 0 HG23 ILE A 58 -16.989 -13.335 -9.691 1.00 52.43 H new ATOM 0 HD11 ILE A 58 -15.192 -9.602 -12.259 1.00 2.10 H new ATOM 0 HD12 ILE A 58 -13.911 -10.629 -11.573 1.00 2.10 H new ATOM 0 HD13 ILE A 58 -14.670 -11.068 -13.122 1.00 2.10 H new ATOM 958 N ASN A 59 -15.223 -13.492 -7.995 1.00 1.15 N ATOM 959 CA ASN A 59 -15.607 -13.195 -6.610 1.00 72.14 C ATOM 960 C ASN A 59 -14.390 -13.223 -5.675 1.00 41.20 C ATOM 961 O ASN A 59 -14.240 -12.365 -4.803 1.00 54.02 O ATOM 962 CB ASN A 59 -16.661 -14.196 -6.124 1.00 64.52 C ATOM 963 CG ASN A 59 -17.950 -14.115 -6.921 1.00 72.22 C ATOM 964 OD1 ASN A 59 -18.329 -13.055 -7.411 1.00 12.02 O ATOM 965 ND2 ASN A 59 -18.640 -15.229 -7.053 1.00 51.15 N ATOM 0 H ASN A 59 -15.385 -14.458 -8.280 1.00 1.15 H new ATOM 0 HA ASN A 59 -16.029 -12.190 -6.590 1.00 72.14 H new ATOM 0 HB2 ASN A 59 -16.257 -15.206 -6.194 1.00 64.52 H new ATOM 0 HB3 ASN A 59 -16.876 -14.010 -5.072 1.00 64.52 H new ATOM 0 HD21 ASN A 59 -19.517 -15.227 -7.575 1.00 51.15 H new ATOM 0 HD22 ASN A 59 -18.298 -16.094 -6.634 1.00 51.15 H new ATOM 972 N GLU A 60 -13.519 -14.212 -5.871 1.00 23.12 N ATOM 973 CA GLU A 60 -12.320 -14.378 -5.036 1.00 30.25 C ATOM 974 C GLU A 60 -11.391 -13.151 -5.122 1.00 14.52 C ATOM 975 O GLU A 60 -10.807 -12.729 -4.122 1.00 22.12 O ATOM 976 CB GLU A 60 -11.550 -15.642 -5.456 1.00 31.24 C ATOM 977 CG GLU A 60 -12.365 -16.931 -5.361 1.00 5.15 C ATOM 978 CD GLU A 60 -11.556 -18.170 -5.722 1.00 42.14 C ATOM 979 OE1 GLU A 60 -10.885 -18.731 -4.828 1.00 62.11 O ATOM 980 OE2 GLU A 60 -11.581 -18.592 -6.897 1.00 13.10 O ATOM 0 H GLU A 60 -13.618 -14.916 -6.603 1.00 23.12 H new ATOM 0 HA GLU A 60 -12.652 -14.479 -4.003 1.00 30.25 H new ATOM 0 HB2 GLU A 60 -11.204 -15.519 -6.482 1.00 31.24 H new ATOM 0 HB3 GLU A 60 -10.663 -15.739 -4.830 1.00 31.24 H new ATOM 0 HG2 GLU A 60 -12.751 -17.037 -4.347 1.00 5.15 H new ATOM 0 HG3 GLU A 60 -13.227 -16.860 -6.024 1.00 5.15 H new ATOM 987 N ILE A 61 -11.265 -12.581 -6.322 1.00 74.53 N ATOM 988 CA ILE A 61 -10.387 -11.425 -6.544 1.00 24.11 C ATOM 989 C ILE A 61 -10.922 -10.164 -5.848 1.00 15.40 C ATOM 990 O ILE A 61 -10.151 -9.368 -5.315 1.00 44.35 O ATOM 991 CB ILE A 61 -10.171 -11.158 -8.058 1.00 54.31 C ATOM 992 CG1 ILE A 61 -9.126 -10.052 -8.274 1.00 1.45 C ATOM 993 CG2 ILE A 61 -11.485 -10.797 -8.746 1.00 41.15 C ATOM 994 CD1 ILE A 61 -8.748 -9.843 -9.727 1.00 74.02 C ATOM 0 H ILE A 61 -11.759 -12.899 -7.156 1.00 74.53 H new ATOM 0 HA ILE A 61 -9.422 -11.671 -6.100 1.00 24.11 H new ATOM 0 HB ILE A 61 -9.796 -12.077 -8.508 1.00 54.31 H new ATOM 0 HG12 ILE A 61 -9.512 -9.116 -7.871 1.00 1.45 H new ATOM 0 HG13 ILE A 61 -8.228 -10.297 -7.706 1.00 1.45 H new ATOM 0 HG21 ILE A 61 -11.303 -10.615 -9.805 1.00 41.15 H new ATOM 0 HG22 ILE A 61 -12.192 -11.619 -8.635 1.00 41.15 H new ATOM 0 HG23 ILE A 61 -11.900 -9.898 -8.290 1.00 41.15 H new ATOM 0 HD11 ILE A 61 -8.007 -9.047 -9.799 1.00 74.02 H new ATOM 0 HD12 ILE A 61 -8.331 -10.765 -10.131 1.00 74.02 H new ATOM 0 HD13 ILE A 61 -9.635 -9.566 -10.297 1.00 74.02 H new ATOM 1006 N ARG A 62 -12.246 -10.006 -5.837 1.00 11.34 N ATOM 1007 CA ARG A 62 -12.895 -8.880 -5.150 1.00 24.44 C ATOM 1008 C ARG A 62 -12.452 -8.784 -3.676 1.00 61.32 C ATOM 1009 O ARG A 62 -12.191 -7.693 -3.162 1.00 24.25 O ATOM 1010 CB ARG A 62 -14.421 -9.032 -5.245 1.00 73.43 C ATOM 1011 CG ARG A 62 -14.959 -8.852 -6.663 1.00 2.25 C ATOM 1012 CD ARG A 62 -16.387 -9.371 -6.816 1.00 3.25 C ATOM 1013 NE ARG A 62 -17.303 -8.817 -5.821 1.00 41.41 N ATOM 1014 CZ ARG A 62 -18.603 -8.873 -5.912 1.00 0.34 C ATOM 1015 NH1 ARG A 62 -19.173 -9.369 -6.965 1.00 40.42 N ATOM 1016 NH2 ARG A 62 -19.333 -8.418 -4.947 1.00 3.14 N ATOM 0 H ARG A 62 -12.895 -10.644 -6.297 1.00 11.34 H new ATOM 0 HA ARG A 62 -12.591 -7.956 -5.641 1.00 24.44 H new ATOM 0 HB2 ARG A 62 -14.704 -10.019 -4.879 1.00 73.43 H new ATOM 0 HB3 ARG A 62 -14.894 -8.301 -4.589 1.00 73.43 H new ATOM 0 HG2 ARG A 62 -14.929 -7.795 -6.928 1.00 2.25 H new ATOM 0 HG3 ARG A 62 -14.309 -9.375 -7.364 1.00 2.25 H new ATOM 0 HD2 ARG A 62 -16.752 -9.127 -7.814 1.00 3.25 H new ATOM 0 HD3 ARG A 62 -16.384 -10.458 -6.734 1.00 3.25 H new ATOM 0 HE ARG A 62 -16.900 -8.358 -5.004 1.00 41.41 H new ATOM 0 HH11 ARG A 62 -18.604 -9.721 -7.735 1.00 40.42 H new ATOM 0 HH12 ARG A 62 -20.191 -9.407 -7.024 1.00 40.42 H new ATOM 0 HH21 ARG A 62 -18.892 -8.017 -4.119 1.00 3.14 H new ATOM 0 HH22 ARG A 62 -20.350 -8.460 -5.014 1.00 3.14 H new ATOM 1030 N THR A 63 -12.356 -9.934 -3.011 1.00 21.25 N ATOM 1031 CA THR A 63 -11.881 -9.996 -1.620 1.00 51.30 C ATOM 1032 C THR A 63 -10.439 -9.472 -1.490 1.00 64.04 C ATOM 1033 O THR A 63 -10.148 -8.619 -0.642 1.00 0.34 O ATOM 1034 CB THR A 63 -11.938 -11.445 -1.070 1.00 75.23 C ATOM 1035 OG1 THR A 63 -13.295 -11.918 -1.050 1.00 63.41 O ATOM 1036 CG2 THR A 63 -11.347 -11.530 0.335 1.00 30.30 C ATOM 0 H THR A 63 -12.600 -10.840 -3.410 1.00 21.25 H new ATOM 0 HA THR A 63 -12.546 -9.360 -1.036 1.00 51.30 H new ATOM 0 HB THR A 63 -11.343 -12.073 -1.733 1.00 75.23 H new ATOM 0 HG1 THR A 63 -13.317 -12.834 -0.703 1.00 63.41 H new ATOM 0 HG21 THR A 63 -11.402 -12.559 0.691 1.00 30.30 H new ATOM 0 HG22 THR A 63 -10.305 -11.210 0.312 1.00 30.30 H new ATOM 0 HG23 THR A 63 -11.911 -10.883 1.007 1.00 30.30 H new ATOM 1044 N ALA A 64 -9.546 -9.987 -2.336 1.00 41.35 N ATOM 1045 CA ALA A 64 -8.132 -9.590 -2.323 1.00 61.24 C ATOM 1046 C ALA A 64 -7.956 -8.095 -2.626 1.00 44.34 C ATOM 1047 O ALA A 64 -7.163 -7.414 -1.978 1.00 61.22 O ATOM 1048 CB ALA A 64 -7.345 -10.427 -3.325 1.00 52.43 C ATOM 0 H ALA A 64 -9.776 -10.684 -3.044 1.00 41.35 H new ATOM 0 HA ALA A 64 -7.746 -9.769 -1.319 1.00 61.24 H new ATOM 0 HB1 ALA A 64 -6.298 -10.125 -3.308 1.00 52.43 H new ATOM 0 HB2 ALA A 64 -7.423 -11.481 -3.059 1.00 52.43 H new ATOM 0 HB3 ALA A 64 -7.751 -10.274 -4.325 1.00 52.43 H new ATOM 1054 N VAL A 65 -8.703 -7.593 -3.612 1.00 13.10 N ATOM 1055 CA VAL A 65 -8.673 -6.167 -3.966 1.00 12.12 C ATOM 1056 C VAL A 65 -8.955 -5.278 -2.744 1.00 21.52 C ATOM 1057 O VAL A 65 -8.251 -4.295 -2.497 1.00 10.14 O ATOM 1058 CB VAL A 65 -9.696 -5.847 -5.090 1.00 12.03 C ATOM 1059 CG1 VAL A 65 -9.813 -4.343 -5.331 1.00 13.43 C ATOM 1060 CG2 VAL A 65 -9.310 -6.564 -6.382 1.00 10.41 C ATOM 0 H VAL A 65 -9.338 -8.152 -4.182 1.00 13.10 H new ATOM 0 HA VAL A 65 -7.668 -5.950 -4.330 1.00 12.12 H new ATOM 0 HB VAL A 65 -10.671 -6.208 -4.763 1.00 12.03 H new ATOM 0 HG11 VAL A 65 -10.537 -4.157 -6.124 1.00 13.43 H new ATOM 0 HG12 VAL A 65 -10.143 -3.852 -4.415 1.00 13.43 H new ATOM 0 HG13 VAL A 65 -8.842 -3.945 -5.626 1.00 13.43 H new ATOM 0 HG21 VAL A 65 -10.037 -6.329 -7.160 1.00 10.41 H new ATOM 0 HG22 VAL A 65 -8.320 -6.235 -6.699 1.00 10.41 H new ATOM 0 HG23 VAL A 65 -9.297 -7.640 -6.211 1.00 10.41 H new ATOM 1070 N ASP A 66 -9.985 -5.634 -1.977 1.00 61.45 N ATOM 1071 CA ASP A 66 -10.323 -4.903 -0.751 1.00 25.34 C ATOM 1072 C ASP A 66 -9.175 -4.992 0.277 1.00 43.32 C ATOM 1073 O ASP A 66 -8.907 -4.038 1.013 1.00 13.23 O ATOM 1074 CB ASP A 66 -11.624 -5.464 -0.157 1.00 1.21 C ATOM 1075 CG ASP A 66 -12.200 -4.580 0.939 1.00 62.24 C ATOM 1076 OD1 ASP A 66 -12.971 -3.652 0.619 1.00 22.11 O ATOM 1077 OD2 ASP A 66 -11.899 -4.818 2.128 1.00 44.31 O ATOM 0 H ASP A 66 -10.600 -6.422 -2.180 1.00 61.45 H new ATOM 0 HA ASP A 66 -10.468 -3.851 -0.999 1.00 25.34 H new ATOM 0 HB2 ASP A 66 -12.362 -5.577 -0.951 1.00 1.21 H new ATOM 0 HB3 ASP A 66 -11.435 -6.459 0.247 1.00 1.21 H new ATOM 1082 N LYS A 67 -8.499 -6.146 0.312 1.00 30.22 N ATOM 1083 CA LYS A 67 -7.358 -6.356 1.217 1.00 53.34 C ATOM 1084 C LYS A 67 -6.154 -5.478 0.849 1.00 13.25 C ATOM 1085 O LYS A 67 -5.558 -4.844 1.722 1.00 72.05 O ATOM 1086 CB LYS A 67 -6.944 -7.834 1.235 1.00 50.24 C ATOM 1087 CG LYS A 67 -7.920 -8.718 1.997 1.00 3.11 C ATOM 1088 CD LYS A 67 -7.389 -10.137 2.191 1.00 10.11 C ATOM 1089 CE LYS A 67 -8.089 -10.834 3.353 1.00 13.13 C ATOM 1090 NZ LYS A 67 -9.564 -10.892 3.174 1.00 63.13 N ATOM 0 H LYS A 67 -8.721 -6.950 -0.275 1.00 30.22 H new ATOM 0 HA LYS A 67 -7.687 -6.063 2.214 1.00 53.34 H new ATOM 0 HB2 LYS A 67 -6.861 -8.194 0.210 1.00 50.24 H new ATOM 0 HB3 LYS A 67 -5.955 -7.923 1.685 1.00 50.24 H new ATOM 0 HG2 LYS A 67 -8.125 -8.273 2.971 1.00 3.11 H new ATOM 0 HG3 LYS A 67 -8.867 -8.758 1.459 1.00 3.11 H new ATOM 0 HD2 LYS A 67 -7.537 -10.712 1.277 1.00 10.11 H new ATOM 0 HD3 LYS A 67 -6.315 -10.104 2.377 1.00 10.11 H new ATOM 0 HE2 LYS A 67 -7.698 -11.846 3.454 1.00 13.13 H new ATOM 0 HE3 LYS A 67 -7.859 -10.309 4.280 1.00 13.13 H new ATOM 0 HZ1 LYS A 67 -10.026 -10.324 3.913 1.00 63.13 H new ATOM 0 HZ2 LYS A 67 -9.815 -10.514 2.238 1.00 63.13 H new ATOM 0 HZ3 LYS A 67 -9.884 -11.879 3.245 1.00 63.13 H new ATOM 1104 N VAL A 68 -5.795 -5.445 -0.436 1.00 75.33 N ATOM 1105 CA VAL A 68 -4.696 -4.590 -0.906 1.00 34.53 C ATOM 1106 C VAL A 68 -4.885 -3.150 -0.411 1.00 53.31 C ATOM 1107 O VAL A 68 -3.994 -2.570 0.208 1.00 71.22 O ATOM 1108 CB VAL A 68 -4.587 -4.592 -2.454 1.00 11.51 C ATOM 1109 CG1 VAL A 68 -3.448 -3.687 -2.927 1.00 45.11 C ATOM 1110 CG2 VAL A 68 -4.401 -6.015 -2.980 1.00 32.14 C ATOM 0 H VAL A 68 -6.244 -5.996 -1.168 1.00 75.33 H new ATOM 0 HA VAL A 68 -3.773 -5.000 -0.497 1.00 34.53 H new ATOM 0 HB VAL A 68 -5.519 -4.196 -2.857 1.00 11.51 H new ATOM 0 HG11 VAL A 68 -3.395 -3.708 -4.016 1.00 45.11 H new ATOM 0 HG12 VAL A 68 -3.631 -2.666 -2.592 1.00 45.11 H new ATOM 0 HG13 VAL A 68 -2.505 -4.041 -2.511 1.00 45.11 H new ATOM 0 HG21 VAL A 68 -4.327 -5.994 -4.067 1.00 32.14 H new ATOM 0 HG22 VAL A 68 -3.489 -6.441 -2.562 1.00 32.14 H new ATOM 0 HG23 VAL A 68 -5.255 -6.626 -2.686 1.00 32.14 H new ATOM 1120 N GLU A 69 -6.071 -2.601 -0.662 1.00 12.22 N ATOM 1121 CA GLU A 69 -6.423 -1.254 -0.202 1.00 33.20 C ATOM 1122 C GLU A 69 -6.424 -1.147 1.334 1.00 71.31 C ATOM 1123 O GLU A 69 -6.060 -0.111 1.894 1.00 21.25 O ATOM 1124 CB GLU A 69 -7.798 -0.866 -0.760 1.00 2.25 C ATOM 1125 CG GLU A 69 -7.806 -0.631 -2.269 1.00 21.24 C ATOM 1126 CD GLU A 69 -7.065 0.640 -2.656 1.00 20.32 C ATOM 1127 OE1 GLU A 69 -5.827 0.596 -2.817 1.00 72.23 O ATOM 1128 OE2 GLU A 69 -7.720 1.697 -2.758 1.00 2.13 O ATOM 0 H GLU A 69 -6.811 -3.069 -1.185 1.00 12.22 H new ATOM 0 HA GLU A 69 -5.664 -0.565 -0.572 1.00 33.20 H new ATOM 0 HB2 GLU A 69 -8.513 -1.653 -0.520 1.00 2.25 H new ATOM 0 HB3 GLU A 69 -8.141 0.039 -0.259 1.00 2.25 H new ATOM 0 HG2 GLU A 69 -7.348 -1.484 -2.770 1.00 21.24 H new ATOM 0 HG3 GLU A 69 -8.836 -0.570 -2.620 1.00 21.24 H new ATOM 1135 N LEU A 70 -6.838 -2.219 2.010 1.00 45.34 N ATOM 1136 CA LEU A 70 -6.885 -2.245 3.479 1.00 65.42 C ATOM 1137 C LEU A 70 -5.481 -2.123 4.093 1.00 23.10 C ATOM 1138 O LEU A 70 -5.183 -1.152 4.792 1.00 12.30 O ATOM 1139 CB LEU A 70 -7.562 -3.536 3.966 1.00 71.03 C ATOM 1140 CG LEU A 70 -7.558 -3.755 5.490 1.00 0.14 C ATOM 1141 CD1 LEU A 70 -8.266 -2.607 6.213 1.00 20.11 C ATOM 1142 CD2 LEU A 70 -8.197 -5.099 5.844 1.00 71.13 C ATOM 0 H LEU A 70 -7.147 -3.084 1.566 1.00 45.34 H new ATOM 0 HA LEU A 70 -7.469 -1.385 3.807 1.00 65.42 H new ATOM 0 HB2 LEU A 70 -8.596 -3.536 3.620 1.00 71.03 H new ATOM 0 HB3 LEU A 70 -7.068 -4.385 3.494 1.00 71.03 H new ATOM 0 HG LEU A 70 -6.521 -3.771 5.826 1.00 0.14 H new ATOM 0 HD11 LEU A 70 -8.248 -2.788 7.288 1.00 20.11 H new ATOM 0 HD12 LEU A 70 -7.755 -1.669 5.994 1.00 20.11 H new ATOM 0 HD13 LEU A 70 -9.300 -2.545 5.873 1.00 20.11 H new ATOM 0 HD21 LEU A 70 -8.184 -5.234 6.925 1.00 71.13 H new ATOM 0 HD22 LEU A 70 -9.227 -5.117 5.488 1.00 71.13 H new ATOM 0 HD23 LEU A 70 -7.636 -5.905 5.371 1.00 71.13 H new ATOM 1154 N PHE A 71 -4.617 -3.099 3.813 1.00 33.54 N ATOM 1155 CA PHE A 71 -3.250 -3.102 4.351 1.00 52.02 C ATOM 1156 C PHE A 71 -2.458 -1.877 3.875 1.00 2.44 C ATOM 1157 O PHE A 71 -1.624 -1.344 4.607 1.00 53.31 O ATOM 1158 CB PHE A 71 -2.518 -4.393 3.958 1.00 63.12 C ATOM 1159 CG PHE A 71 -3.126 -5.639 4.561 1.00 42.42 C ATOM 1160 CD1 PHE A 71 -2.898 -5.964 5.893 1.00 34.51 C ATOM 1161 CD2 PHE A 71 -3.922 -6.485 3.800 1.00 12.11 C ATOM 1162 CE1 PHE A 71 -3.451 -7.101 6.451 1.00 72.33 C ATOM 1163 CE2 PHE A 71 -4.477 -7.625 4.356 1.00 2.52 C ATOM 1164 CZ PHE A 71 -4.242 -7.932 5.681 1.00 2.41 C ATOM 0 H PHE A 71 -4.836 -3.898 3.218 1.00 33.54 H new ATOM 0 HA PHE A 71 -3.323 -3.055 5.438 1.00 52.02 H new ATOM 0 HB2 PHE A 71 -2.520 -4.486 2.872 1.00 63.12 H new ATOM 0 HB3 PHE A 71 -1.476 -4.320 4.269 1.00 63.12 H new ATOM 0 HD1 PHE A 71 -2.280 -5.319 6.500 1.00 34.51 H new ATOM 0 HD2 PHE A 71 -4.110 -6.251 2.763 1.00 12.11 H new ATOM 0 HE1 PHE A 71 -3.265 -7.340 7.488 1.00 72.33 H new ATOM 0 HE2 PHE A 71 -5.094 -8.274 3.753 1.00 2.52 H new ATOM 0 HZ PHE A 71 -4.676 -8.821 6.115 1.00 2.41 H new ATOM 1174 N LEU A 72 -2.730 -1.432 2.651 1.00 71.41 N ATOM 1175 CA LEU A 72 -2.108 -0.218 2.117 1.00 71.32 C ATOM 1176 C LEU A 72 -2.552 1.026 2.906 1.00 74.02 C ATOM 1177 O LEU A 72 -1.758 1.935 3.144 1.00 50.12 O ATOM 1178 CB LEU A 72 -2.451 -0.060 0.631 1.00 23.33 C ATOM 1179 CG LEU A 72 -1.776 1.120 -0.084 1.00 25.23 C ATOM 1180 CD1 LEU A 72 -0.260 1.064 0.094 1.00 15.42 C ATOM 1181 CD2 LEU A 72 -2.144 1.125 -1.567 1.00 11.24 C ATOM 0 H LEU A 72 -3.376 -1.891 2.009 1.00 71.41 H new ATOM 0 HA LEU A 72 -1.027 -0.314 2.223 1.00 71.32 H new ATOM 0 HB2 LEU A 72 -2.178 -0.980 0.114 1.00 23.33 H new ATOM 0 HB3 LEU A 72 -3.531 0.050 0.536 1.00 23.33 H new ATOM 0 HG LEU A 72 -2.137 2.046 0.365 1.00 25.23 H new ATOM 0 HD11 LEU A 72 0.198 1.909 -0.420 1.00 15.42 H new ATOM 0 HD12 LEU A 72 -0.016 1.110 1.155 1.00 15.42 H new ATOM 0 HD13 LEU A 72 0.122 0.133 -0.326 1.00 15.42 H new ATOM 0 HD21 LEU A 72 -1.658 1.967 -2.060 1.00 11.24 H new ATOM 0 HD22 LEU A 72 -1.812 0.194 -2.027 1.00 11.24 H new ATOM 0 HD23 LEU A 72 -3.225 1.217 -1.673 1.00 11.24 H new ATOM 1193 N LYS A 73 -3.817 1.050 3.324 1.00 33.25 N ATOM 1194 CA LYS A 73 -4.347 2.165 4.119 1.00 34.10 C ATOM 1195 C LYS A 73 -3.735 2.162 5.525 1.00 5.52 C ATOM 1196 O LYS A 73 -3.380 3.212 6.069 1.00 33.21 O ATOM 1197 CB LYS A 73 -5.887 2.088 4.181 1.00 11.33 C ATOM 1198 CG LYS A 73 -6.553 3.167 5.043 1.00 21.00 C ATOM 1199 CD LYS A 73 -6.776 2.706 6.486 1.00 32.12 C ATOM 1200 CE LYS A 73 -7.852 1.631 6.579 1.00 73.41 C ATOM 1201 NZ LYS A 73 -8.081 1.198 7.981 1.00 54.02 N ATOM 0 H LYS A 73 -4.495 0.314 3.128 1.00 33.25 H new ATOM 0 HA LYS A 73 -4.072 3.104 3.638 1.00 34.10 H new ATOM 0 HB2 LYS A 73 -6.281 2.159 3.167 1.00 11.33 H new ATOM 0 HB3 LYS A 73 -6.172 1.109 4.566 1.00 11.33 H new ATOM 0 HG2 LYS A 73 -5.932 4.063 5.043 1.00 21.00 H new ATOM 0 HG3 LYS A 73 -7.510 3.442 4.600 1.00 21.00 H new ATOM 0 HD2 LYS A 73 -5.841 2.320 6.892 1.00 32.12 H new ATOM 0 HD3 LYS A 73 -7.062 3.560 7.100 1.00 32.12 H new ATOM 0 HE2 LYS A 73 -8.783 2.012 6.160 1.00 73.41 H new ATOM 0 HE3 LYS A 73 -7.559 0.771 5.976 1.00 73.41 H new ATOM 0 HZ1 LYS A 73 -8.529 0.259 7.986 1.00 54.02 H new ATOM 0 HZ2 LYS A 73 -7.171 1.150 8.483 1.00 54.02 H new ATOM 0 HZ3 LYS A 73 -8.704 1.881 8.458 1.00 54.02 H new ATOM 1215 N GLU A 74 -3.614 0.971 6.104 1.00 21.43 N ATOM 1216 CA GLU A 74 -2.957 0.795 7.402 1.00 62.21 C ATOM 1217 C GLU A 74 -1.496 1.271 7.341 1.00 2.54 C ATOM 1218 O GLU A 74 -1.024 2.000 8.218 1.00 32.41 O ATOM 1219 CB GLU A 74 -3.017 -0.684 7.808 1.00 72.22 C ATOM 1220 CG GLU A 74 -4.434 -1.262 7.829 1.00 12.55 C ATOM 1221 CD GLU A 74 -5.255 -0.808 9.029 1.00 3.02 C ATOM 1222 OE1 GLU A 74 -5.709 0.355 9.047 1.00 2.52 O ATOM 1223 OE2 GLU A 74 -5.471 -1.620 9.957 1.00 21.00 O ATOM 0 H GLU A 74 -3.964 0.105 5.694 1.00 21.43 H new ATOM 0 HA GLU A 74 -3.478 1.397 8.147 1.00 62.21 H new ATOM 0 HB2 GLU A 74 -2.408 -1.266 7.117 1.00 72.22 H new ATOM 0 HB3 GLU A 74 -2.574 -0.798 8.797 1.00 72.22 H new ATOM 0 HG2 GLU A 74 -4.950 -0.972 6.914 1.00 12.55 H new ATOM 0 HG3 GLU A 74 -4.374 -2.350 7.830 1.00 12.55 H new ATOM 1230 N TYR A 75 -0.795 0.856 6.286 1.00 51.03 N ATOM 1231 CA TYR A 75 0.593 1.264 6.054 1.00 61.12 C ATOM 1232 C TYR A 75 0.705 2.790 5.888 1.00 60.21 C ATOM 1233 O TYR A 75 1.549 3.432 6.520 1.00 74.41 O ATOM 1234 CB TYR A 75 1.146 0.551 4.810 1.00 1.10 C ATOM 1235 CG TYR A 75 2.606 0.861 4.522 1.00 3.13 C ATOM 1236 CD1 TYR A 75 3.625 0.206 5.206 1.00 34.45 C ATOM 1237 CD2 TYR A 75 2.964 1.815 3.572 1.00 10.22 C ATOM 1238 CE1 TYR A 75 4.954 0.491 4.954 1.00 14.31 C ATOM 1239 CE2 TYR A 75 4.291 2.105 3.318 1.00 65.13 C ATOM 1240 CZ TYR A 75 5.281 1.439 4.011 1.00 52.44 C ATOM 1241 OH TYR A 75 6.603 1.732 3.769 1.00 14.22 O ATOM 0 H TYR A 75 -1.169 0.231 5.572 1.00 51.03 H new ATOM 0 HA TYR A 75 1.183 0.978 6.925 1.00 61.12 H new ATOM 0 HB2 TYR A 75 1.032 -0.525 4.939 1.00 1.10 H new ATOM 0 HB3 TYR A 75 0.547 0.834 3.944 1.00 1.10 H new ATOM 0 HD1 TYR A 75 3.373 -0.538 5.947 1.00 34.45 H new ATOM 0 HD2 TYR A 75 2.192 2.336 3.025 1.00 10.22 H new ATOM 0 HE1 TYR A 75 5.732 -0.028 5.494 1.00 14.31 H new ATOM 0 HE2 TYR A 75 4.552 2.850 2.580 1.00 65.13 H new ATOM 0 HH TYR A 75 7.154 0.947 3.969 1.00 14.22 H new ATOM 1251 N LEU A 76 -0.155 3.365 5.043 1.00 51.25 N ATOM 1252 CA LEU A 76 -0.174 4.818 4.826 1.00 43.44 C ATOM 1253 C LEU A 76 -0.385 5.586 6.138 1.00 64.13 C ATOM 1254 O LEU A 76 0.296 6.574 6.396 1.00 11.13 O ATOM 1255 CB LEU A 76 -1.256 5.208 3.806 1.00 64.33 C ATOM 1256 CG LEU A 76 -0.920 4.892 2.336 1.00 24.33 C ATOM 1257 CD1 LEU A 76 -2.081 5.272 1.420 1.00 52.51 C ATOM 1258 CD2 LEU A 76 0.358 5.612 1.909 1.00 14.54 C ATOM 0 H LEU A 76 -0.847 2.850 4.498 1.00 51.25 H new ATOM 0 HA LEU A 76 0.802 5.095 4.427 1.00 43.44 H new ATOM 0 HB2 LEU A 76 -2.181 4.695 4.068 1.00 64.33 H new ATOM 0 HB3 LEU A 76 -1.448 6.277 3.896 1.00 64.33 H new ATOM 0 HG LEU A 76 -0.755 3.818 2.249 1.00 24.33 H new ATOM 0 HD11 LEU A 76 -1.821 5.040 0.387 1.00 52.51 H new ATOM 0 HD12 LEU A 76 -2.969 4.709 1.706 1.00 52.51 H new ATOM 0 HD13 LEU A 76 -2.283 6.339 1.512 1.00 52.51 H new ATOM 0 HD21 LEU A 76 0.578 5.376 0.868 1.00 14.54 H new ATOM 0 HD22 LEU A 76 0.222 6.688 2.016 1.00 14.54 H new ATOM 0 HD23 LEU A 76 1.187 5.286 2.538 1.00 14.54 H new ATOM 1270 N HIS A 77 -1.316 5.122 6.971 1.00 12.11 N ATOM 1271 CA HIS A 77 -1.588 5.771 8.264 1.00 71.41 C ATOM 1272 C HIS A 77 -0.332 5.786 9.160 1.00 5.31 C ATOM 1273 O HIS A 77 -0.178 6.662 10.012 1.00 3.01 O ATOM 1274 CB HIS A 77 -2.741 5.062 8.991 1.00 53.33 C ATOM 1275 CG HIS A 77 -3.222 5.781 10.219 1.00 54.12 C ATOM 1276 ND1 HIS A 77 -2.426 6.016 11.321 1.00 63.32 N ATOM 1277 CD2 HIS A 77 -4.430 6.321 10.516 1.00 65.32 C ATOM 1278 CE1 HIS A 77 -3.118 6.659 12.235 1.00 34.51 C ATOM 1279 NE2 HIS A 77 -4.333 6.857 11.774 1.00 23.24 N ATOM 0 H HIS A 77 -1.895 4.304 6.780 1.00 12.11 H new ATOM 0 HA HIS A 77 -1.875 6.803 8.061 1.00 71.41 H new ATOM 0 HB2 HIS A 77 -3.576 4.946 8.300 1.00 53.33 H new ATOM 0 HB3 HIS A 77 -2.418 4.060 9.272 1.00 53.33 H new ATOM 0 HD1 HIS A 77 -1.450 5.734 11.412 1.00 63.32 H new ATOM 0 HD2 HIS A 77 -5.304 6.328 9.881 1.00 65.32 H new ATOM 0 HE1 HIS A 77 -2.751 6.972 13.201 1.00 34.51 H new ATOM 1288 N PHE A 78 0.551 4.808 8.970 1.00 42.13 N ATOM 1289 CA PHE A 78 1.785 4.715 9.759 1.00 4.51 C ATOM 1290 C PHE A 78 2.875 5.645 9.194 1.00 61.20 C ATOM 1291 O PHE A 78 3.446 6.466 9.916 1.00 11.41 O ATOM 1292 CB PHE A 78 2.285 3.262 9.779 1.00 11.22 C ATOM 1293 CG PHE A 78 3.331 2.975 10.833 1.00 22.13 C ATOM 1294 CD1 PHE A 78 4.682 3.147 10.569 1.00 2.32 C ATOM 1295 CD2 PHE A 78 2.952 2.521 12.091 1.00 32.32 C ATOM 1296 CE1 PHE A 78 5.632 2.870 11.535 1.00 41.52 C ATOM 1297 CE2 PHE A 78 3.898 2.246 13.059 1.00 43.52 C ATOM 1298 CZ PHE A 78 5.239 2.420 12.781 1.00 31.41 C ATOM 0 H PHE A 78 0.438 4.067 8.278 1.00 42.13 H new ATOM 0 HA PHE A 78 1.565 5.033 10.778 1.00 4.51 H new ATOM 0 HB2 PHE A 78 1.434 2.600 9.940 1.00 11.22 H new ATOM 0 HB3 PHE A 78 2.697 3.019 8.800 1.00 11.22 H new ATOM 0 HD1 PHE A 78 4.995 3.501 9.598 1.00 2.32 H new ATOM 0 HD2 PHE A 78 1.905 2.382 12.314 1.00 32.32 H new ATOM 0 HE1 PHE A 78 6.681 3.005 11.316 1.00 41.52 H new ATOM 0 HE2 PHE A 78 3.589 1.895 14.033 1.00 43.52 H new ATOM 0 HZ PHE A 78 5.980 2.205 13.537 1.00 31.41 H new ATOM 1308 N VAL A 79 3.151 5.519 7.896 1.00 40.15 N ATOM 1309 CA VAL A 79 4.195 6.323 7.248 1.00 70.22 C ATOM 1310 C VAL A 79 3.851 7.824 7.225 1.00 62.42 C ATOM 1311 O VAL A 79 4.725 8.660 7.443 1.00 30.44 O ATOM 1312 CB VAL A 79 4.491 5.828 5.811 1.00 54.12 C ATOM 1313 CG1 VAL A 79 5.080 4.422 5.847 1.00 15.03 C ATOM 1314 CG2 VAL A 79 3.234 5.865 4.947 1.00 65.23 C ATOM 0 H VAL A 79 2.670 4.871 7.272 1.00 40.15 H new ATOM 0 HA VAL A 79 5.092 6.193 7.854 1.00 70.22 H new ATOM 0 HB VAL A 79 5.222 6.501 5.363 1.00 54.12 H new ATOM 0 HG11 VAL A 79 5.283 4.087 4.830 1.00 15.03 H new ATOM 0 HG12 VAL A 79 6.008 4.431 6.418 1.00 15.03 H new ATOM 0 HG13 VAL A 79 4.370 3.742 6.318 1.00 15.03 H new ATOM 0 HG21 VAL A 79 3.472 5.512 3.943 1.00 65.23 H new ATOM 0 HG22 VAL A 79 2.471 5.222 5.387 1.00 65.23 H new ATOM 0 HG23 VAL A 79 2.860 6.887 4.893 1.00 65.23 H new ATOM 1324 N LYS A 80 2.585 8.166 6.975 1.00 5.31 N ATOM 1325 CA LYS A 80 2.139 9.569 7.034 1.00 42.22 C ATOM 1326 C LYS A 80 2.406 10.166 8.427 1.00 2.02 C ATOM 1327 O LYS A 80 2.872 11.302 8.556 1.00 0.33 O ATOM 1328 CB LYS A 80 0.643 9.678 6.693 1.00 32.14 C ATOM 1329 CG LYS A 80 0.309 9.398 5.225 1.00 50.34 C ATOM 1330 CD LYS A 80 -1.201 9.325 4.993 1.00 3.52 C ATOM 1331 CE LYS A 80 -1.550 9.053 3.533 1.00 20.24 C ATOM 1332 NZ LYS A 80 -1.266 10.222 2.660 1.00 73.22 N ATOM 0 H LYS A 80 1.852 7.500 6.731 1.00 5.31 H new ATOM 0 HA LYS A 80 2.708 10.135 6.296 1.00 42.22 H new ATOM 0 HB2 LYS A 80 0.088 8.980 7.319 1.00 32.14 H new ATOM 0 HB3 LYS A 80 0.296 10.680 6.948 1.00 32.14 H new ATOM 0 HG2 LYS A 80 0.736 10.181 4.599 1.00 50.34 H new ATOM 0 HG3 LYS A 80 0.770 8.459 4.920 1.00 50.34 H new ATOM 0 HD2 LYS A 80 -1.625 8.539 5.618 1.00 3.52 H new ATOM 0 HD3 LYS A 80 -1.660 10.263 5.305 1.00 3.52 H new ATOM 0 HE2 LYS A 80 -0.983 8.192 3.180 1.00 20.24 H new ATOM 0 HE3 LYS A 80 -2.606 8.792 3.456 1.00 20.24 H new ATOM 0 HZ1 LYS A 80 -1.671 10.057 1.717 1.00 73.22 H new ATOM 0 HZ2 LYS A 80 -1.690 11.076 3.075 1.00 73.22 H new ATOM 0 HZ3 LYS A 80 -0.237 10.352 2.577 1.00 73.22 H new ATOM 1346 N GLY A 81 2.113 9.384 9.467 1.00 44.22 N ATOM 1347 CA GLY A 81 2.411 9.801 10.830 1.00 25.04 C ATOM 1348 C GLY A 81 3.908 9.987 11.070 1.00 0.11 C ATOM 1349 O GLY A 81 4.328 10.938 11.736 1.00 2.14 O ATOM 0 H GLY A 81 1.673 8.467 9.389 1.00 44.22 H new ATOM 0 HA2 GLY A 81 1.893 10.736 11.042 1.00 25.04 H new ATOM 0 HA3 GLY A 81 2.024 9.058 11.527 1.00 25.04 H new ATOM 1353 N ALA A 82 4.712 9.069 10.535 1.00 34.41 N ATOM 1354 CA ALA A 82 6.174 9.194 10.576 1.00 32.21 C ATOM 1355 C ALA A 82 6.637 10.504 9.912 1.00 23.01 C ATOM 1356 O ALA A 82 7.432 11.256 10.481 1.00 64.03 O ATOM 1357 CB ALA A 82 6.824 7.987 9.906 1.00 62.32 C ATOM 0 H ALA A 82 4.377 8.227 10.066 1.00 34.41 H new ATOM 0 HA ALA A 82 6.487 9.224 11.620 1.00 32.21 H new ATOM 0 HB1 ALA A 82 7.908 8.091 9.942 1.00 62.32 H new ATOM 0 HB2 ALA A 82 6.529 7.078 10.429 1.00 62.32 H new ATOM 0 HB3 ALA A 82 6.500 7.929 8.867 1.00 62.32 H new ATOM 1363 N VAL A 83 6.114 10.783 8.716 1.00 64.25 N ATOM 1364 CA VAL A 83 6.414 12.034 8.008 1.00 75.20 C ATOM 1365 C VAL A 83 6.049 13.254 8.872 1.00 52.53 C ATOM 1366 O VAL A 83 6.771 14.256 8.900 1.00 1.02 O ATOM 1367 CB VAL A 83 5.660 12.111 6.650 1.00 21.54 C ATOM 1368 CG1 VAL A 83 5.932 13.437 5.942 1.00 34.11 C ATOM 1369 CG2 VAL A 83 6.045 10.935 5.751 1.00 32.32 C ATOM 0 H VAL A 83 5.480 10.160 8.215 1.00 64.25 H new ATOM 0 HA VAL A 83 7.486 12.045 7.811 1.00 75.20 H new ATOM 0 HB VAL A 83 4.592 12.053 6.858 1.00 21.54 H new ATOM 0 HG11 VAL A 83 5.392 13.462 4.996 1.00 34.11 H new ATOM 0 HG12 VAL A 83 5.598 14.261 6.572 1.00 34.11 H new ATOM 0 HG13 VAL A 83 7.001 13.536 5.752 1.00 34.11 H new ATOM 0 HG21 VAL A 83 5.506 11.008 4.806 1.00 32.32 H new ATOM 0 HG22 VAL A 83 7.118 10.959 5.560 1.00 32.32 H new ATOM 0 HG23 VAL A 83 5.785 9.999 6.245 1.00 32.32 H new ATOM 1379 N ALA A 84 4.930 13.157 9.587 1.00 63.50 N ATOM 1380 CA ALA A 84 4.515 14.207 10.525 1.00 24.13 C ATOM 1381 C ALA A 84 5.563 14.423 11.633 1.00 64.45 C ATOM 1382 O ALA A 84 5.773 15.546 12.094 1.00 23.42 O ATOM 1383 CB ALA A 84 3.160 13.869 11.135 1.00 3.44 C ATOM 0 H ALA A 84 4.292 12.363 9.537 1.00 63.50 H new ATOM 0 HA ALA A 84 4.429 15.137 9.964 1.00 24.13 H new ATOM 0 HB1 ALA A 84 2.866 14.657 11.828 1.00 3.44 H new ATOM 0 HB2 ALA A 84 2.415 13.786 10.343 1.00 3.44 H new ATOM 0 HB3 ALA A 84 3.228 12.922 11.670 1.00 3.44 H new ATOM 1389 N ASN A 85 6.221 13.342 12.057 1.00 60.21 N ATOM 1390 CA ASN A 85 7.309 13.435 13.040 1.00 43.34 C ATOM 1391 C ASN A 85 8.556 14.085 12.417 1.00 64.03 C ATOM 1392 O ASN A 85 9.244 14.879 13.059 1.00 31.32 O ATOM 1393 CB ASN A 85 7.655 12.043 13.595 1.00 52.20 C ATOM 1394 CG ASN A 85 6.661 11.561 14.637 1.00 21.50 C ATOM 1395 OD1 ASN A 85 6.842 11.775 15.830 1.00 12.02 O ATOM 1396 ND2 ASN A 85 5.598 10.912 14.203 1.00 43.11 N ATOM 0 H ASN A 85 6.022 12.394 11.738 1.00 60.21 H new ATOM 0 HA ASN A 85 6.969 14.064 13.862 1.00 43.34 H new ATOM 0 HB2 ASN A 85 7.689 11.327 12.773 1.00 52.20 H new ATOM 0 HB3 ASN A 85 8.652 12.070 14.035 1.00 52.20 H new ATOM 0 HD21 ASN A 85 4.901 10.574 14.866 1.00 43.11 H new ATOM 0 HD22 ASN A 85 5.473 10.748 13.204 1.00 43.11 H new ATOM 1403 N ALA A 86 8.828 13.755 11.153 1.00 43.12 N ATOM 1404 CA ALA A 86 9.972 14.319 10.427 1.00 40.22 C ATOM 1405 C ALA A 86 9.886 15.852 10.316 1.00 71.13 C ATOM 1406 O ALA A 86 10.902 16.532 10.182 1.00 12.02 O ATOM 1407 CB ALA A 86 10.071 13.695 9.039 1.00 72.21 C ATOM 0 H ALA A 86 8.270 13.098 10.608 1.00 43.12 H new ATOM 0 HA ALA A 86 10.871 14.083 10.996 1.00 40.22 H new ATOM 0 HB1 ALA A 86 10.923 14.120 8.509 1.00 72.21 H new ATOM 0 HB2 ALA A 86 10.204 12.617 9.133 1.00 72.21 H new ATOM 0 HB3 ALA A 86 9.157 13.901 8.482 1.00 72.21 H new ATOM 1413 N ALA A 87 8.666 16.390 10.372 1.00 12.33 N ATOM 1414 CA ALA A 87 8.456 17.843 10.310 1.00 11.23 C ATOM 1415 C ALA A 87 9.037 18.563 11.539 1.00 63.23 C ATOM 1416 O ALA A 87 9.248 19.776 11.522 1.00 3.32 O ATOM 1417 CB ALA A 87 6.968 18.149 10.164 1.00 62.22 C ATOM 0 H ALA A 87 7.808 15.845 10.460 1.00 12.33 H new ATOM 0 HA ALA A 87 8.989 18.218 9.436 1.00 11.23 H new ATOM 0 HB1 ALA A 87 6.821 19.228 10.119 1.00 62.22 H new ATOM 0 HB2 ALA A 87 6.591 17.693 9.249 1.00 62.22 H new ATOM 0 HB3 ALA A 87 6.428 17.745 11.020 1.00 62.22 H new ATOM 1423 N CYS A 88 9.302 17.801 12.598 1.00 14.43 N ATOM 1424 CA CYS A 88 9.857 18.354 13.841 1.00 30.24 C ATOM 1425 C CYS A 88 11.394 18.439 13.807 1.00 61.42 C ATOM 1426 O CYS A 88 12.003 19.069 14.674 1.00 12.33 O ATOM 1427 CB CYS A 88 9.417 17.500 15.037 1.00 33.42 C ATOM 1428 SG CYS A 88 10.086 18.040 16.631 1.00 75.22 S ATOM 0 H CYS A 88 9.142 16.794 12.624 1.00 14.43 H new ATOM 0 HA CYS A 88 9.471 19.368 13.943 1.00 30.24 H new ATOM 0 HB2 CYS A 88 8.328 17.508 15.092 1.00 33.42 H new ATOM 0 HB3 CYS A 88 9.719 16.468 14.861 1.00 33.42 H new ATOM 0 HG CYS A 88 11.187 18.703 16.437 1.00 75.22 H new ATOM 1434 N LEU A 89 12.016 17.810 12.810 1.00 2.41 N ATOM 1435 CA LEU A 89 13.482 17.771 12.706 1.00 4.04 C ATOM 1436 C LEU A 89 14.076 19.151 12.368 1.00 71.00 C ATOM 1437 O LEU A 89 13.441 19.957 11.682 1.00 24.20 O ATOM 1438 CB LEU A 89 13.904 16.743 11.646 1.00 71.45 C ATOM 1439 CG LEU A 89 13.519 15.288 11.957 1.00 73.13 C ATOM 1440 CD1 LEU A 89 13.946 14.360 10.825 1.00 64.20 C ATOM 1441 CD2 LEU A 89 14.131 14.841 13.285 1.00 12.51 C ATOM 0 H LEU A 89 11.530 17.319 12.060 1.00 2.41 H new ATOM 0 HA LEU A 89 13.873 17.477 13.680 1.00 4.04 H new ATOM 0 HB2 LEU A 89 13.458 17.024 10.692 1.00 71.45 H new ATOM 0 HB3 LEU A 89 14.985 16.797 11.520 1.00 71.45 H new ATOM 0 HG LEU A 89 12.434 15.235 12.046 1.00 73.13 H new ATOM 0 HD11 LEU A 89 13.663 13.336 11.068 1.00 64.20 H new ATOM 0 HD12 LEU A 89 13.454 14.663 9.901 1.00 64.20 H new ATOM 0 HD13 LEU A 89 15.027 14.417 10.696 1.00 64.20 H new ATOM 0 HD21 LEU A 89 13.847 13.808 13.487 1.00 12.51 H new ATOM 0 HD22 LEU A 89 15.217 14.914 13.228 1.00 12.51 H new ATOM 0 HD23 LEU A 89 13.766 15.482 14.088 1.00 12.51 H new ATOM 1453 N PRO A 90 15.300 19.445 12.861 1.00 14.22 N ATOM 1454 CA PRO A 90 16.000 20.708 12.573 1.00 12.32 C ATOM 1455 C PRO A 90 16.002 21.070 11.074 1.00 64.11 C ATOM 1456 O PRO A 90 15.466 22.110 10.677 1.00 22.13 O ATOM 1457 CB PRO A 90 17.435 20.466 13.087 1.00 22.32 C ATOM 1458 CG PRO A 90 17.498 19.025 13.500 1.00 13.03 C ATOM 1459 CD PRO A 90 16.085 18.588 13.762 1.00 4.34 C ATOM 0 HA PRO A 90 15.506 21.553 13.053 1.00 12.32 H new ATOM 0 HB2 PRO A 90 18.168 20.680 12.309 1.00 22.32 H new ATOM 0 HB3 PRO A 90 17.662 21.122 13.928 1.00 22.32 H new ATOM 0 HG2 PRO A 90 17.952 18.418 12.717 1.00 13.03 H new ATOM 0 HG3 PRO A 90 18.112 18.905 14.393 1.00 13.03 H new ATOM 0 HD2 PRO A 90 15.942 17.531 13.539 1.00 4.34 H new ATOM 0 HD3 PRO A 90 15.804 18.735 14.805 1.00 4.34 H new ATOM 1467 N GLU A 91 16.603 20.220 10.236 1.00 62.40 N ATOM 1468 CA GLU A 91 16.579 20.440 8.782 1.00 11.21 C ATOM 1469 C GLU A 91 15.443 19.645 8.117 1.00 44.43 C ATOM 1470 O GLU A 91 15.240 18.462 8.396 1.00 32.24 O ATOM 1471 CB GLU A 91 17.930 20.097 8.122 1.00 73.13 C ATOM 1472 CG GLU A 91 18.433 18.670 8.355 1.00 72.12 C ATOM 1473 CD GLU A 91 19.138 18.502 9.692 1.00 51.33 C ATOM 1474 OE1 GLU A 91 20.324 18.886 9.793 1.00 55.34 O ATOM 1475 OE2 GLU A 91 18.510 18.003 10.647 1.00 72.25 O ATOM 0 H GLU A 91 17.106 19.383 10.531 1.00 62.40 H new ATOM 0 HA GLU A 91 16.395 21.503 8.629 1.00 11.21 H new ATOM 0 HB2 GLU A 91 17.842 20.262 7.048 1.00 73.13 H new ATOM 0 HB3 GLU A 91 18.682 20.794 8.491 1.00 73.13 H new ATOM 0 HG2 GLU A 91 17.590 17.980 8.305 1.00 72.12 H new ATOM 0 HG3 GLU A 91 19.117 18.396 7.552 1.00 72.12 H new ATOM 1482 N LEU A 92 14.718 20.305 7.221 1.00 1.21 N ATOM 1483 CA LEU A 92 13.550 19.712 6.556 1.00 61.24 C ATOM 1484 C LEU A 92 13.979 18.686 5.482 1.00 5.51 C ATOM 1485 O LEU A 92 13.154 17.938 4.958 1.00 45.22 O ATOM 1486 CB LEU A 92 12.707 20.853 5.943 1.00 42.24 C ATOM 1487 CG LEU A 92 11.193 20.600 5.767 1.00 63.35 C ATOM 1488 CD1 LEU A 92 10.899 19.695 4.578 1.00 13.44 C ATOM 1489 CD2 LEU A 92 10.588 20.023 7.048 1.00 1.11 C ATOM 0 H LEU A 92 14.917 21.263 6.932 1.00 1.21 H new ATOM 0 HA LEU A 92 12.949 19.167 7.284 1.00 61.24 H new ATOM 0 HB2 LEU A 92 12.831 21.737 6.568 1.00 42.24 H new ATOM 0 HB3 LEU A 92 13.125 21.093 4.965 1.00 42.24 H new ATOM 0 HG LEU A 92 10.726 21.564 5.563 1.00 63.35 H new ATOM 0 HD11 LEU A 92 9.823 19.545 4.493 1.00 13.44 H new ATOM 0 HD12 LEU A 92 11.274 20.159 3.666 1.00 13.44 H new ATOM 0 HD13 LEU A 92 11.389 18.732 4.723 1.00 13.44 H new ATOM 0 HD21 LEU A 92 9.521 19.853 6.902 1.00 1.11 H new ATOM 0 HD22 LEU A 92 11.077 19.079 7.288 1.00 1.11 H new ATOM 0 HD23 LEU A 92 10.734 20.726 7.868 1.00 1.11 H new ATOM 1501 N ILE A 93 15.282 18.633 5.200 1.00 32.42 N ATOM 1502 CA ILE A 93 15.845 17.762 4.150 1.00 73.31 C ATOM 1503 C ILE A 93 15.248 16.339 4.168 1.00 54.42 C ATOM 1504 O ILE A 93 14.679 15.887 3.171 1.00 3.10 O ATOM 1505 CB ILE A 93 17.388 17.659 4.294 1.00 60.01 C ATOM 1506 CG1 ILE A 93 18.035 19.055 4.245 1.00 30.02 C ATOM 1507 CG2 ILE A 93 17.977 16.759 3.209 1.00 5.33 C ATOM 1508 CD1 ILE A 93 17.794 19.799 2.947 1.00 44.34 C ATOM 0 H ILE A 93 15.982 19.190 5.689 1.00 32.42 H new ATOM 0 HA ILE A 93 15.583 18.226 3.199 1.00 73.31 H new ATOM 0 HB ILE A 93 17.606 17.213 5.264 1.00 60.01 H new ATOM 0 HG12 ILE A 93 17.650 19.652 5.071 1.00 30.02 H new ATOM 0 HG13 ILE A 93 19.109 18.952 4.399 1.00 30.02 H new ATOM 0 HG21 ILE A 93 19.059 16.703 3.331 1.00 5.33 H new ATOM 0 HG22 ILE A 93 17.550 15.760 3.293 1.00 5.33 H new ATOM 0 HG23 ILE A 93 17.743 17.172 2.228 1.00 5.33 H new ATOM 0 HD11 ILE A 93 18.281 20.773 2.990 1.00 44.34 H new ATOM 0 HD12 ILE A 93 18.205 19.224 2.117 1.00 44.34 H new ATOM 0 HD13 ILE A 93 16.723 19.935 2.799 1.00 44.34 H new ATOM 1520 N LEU A 94 15.369 15.646 5.301 1.00 2.22 N ATOM 1521 CA LEU A 94 14.851 14.273 5.427 1.00 15.23 C ATOM 1522 C LEU A 94 13.337 14.216 5.167 1.00 71.52 C ATOM 1523 O LEU A 94 12.848 13.335 4.456 1.00 72.12 O ATOM 1524 CB LEU A 94 15.176 13.707 6.821 1.00 72.45 C ATOM 1525 CG LEU A 94 14.642 12.289 7.109 1.00 13.11 C ATOM 1526 CD1 LEU A 94 15.142 11.293 6.065 1.00 62.12 C ATOM 1527 CD2 LEU A 94 15.043 11.839 8.513 1.00 62.12 C ATOM 0 H LEU A 94 15.818 16.006 6.143 1.00 2.22 H new ATOM 0 HA LEU A 94 15.341 13.660 4.671 1.00 15.23 H new ATOM 0 HB2 LEU A 94 16.259 13.700 6.946 1.00 72.45 H new ATOM 0 HB3 LEU A 94 14.773 14.387 7.572 1.00 72.45 H new ATOM 0 HG LEU A 94 13.554 12.321 7.053 1.00 13.11 H new ATOM 0 HD11 LEU A 94 14.751 10.301 6.292 1.00 62.12 H new ATOM 0 HD12 LEU A 94 14.801 11.600 5.076 1.00 62.12 H new ATOM 0 HD13 LEU A 94 16.232 11.266 6.081 1.00 62.12 H new ATOM 0 HD21 LEU A 94 14.657 10.836 8.698 1.00 62.12 H new ATOM 0 HD22 LEU A 94 16.130 11.831 8.596 1.00 62.12 H new ATOM 0 HD23 LEU A 94 14.628 12.529 9.248 1.00 62.12 H new ATOM 1539 N HIS A 95 12.607 15.177 5.725 1.00 10.41 N ATOM 1540 CA HIS A 95 11.152 15.248 5.557 1.00 62.42 C ATOM 1541 C HIS A 95 10.759 15.413 4.081 1.00 2.41 C ATOM 1542 O HIS A 95 9.796 14.803 3.610 1.00 12.20 O ATOM 1543 CB HIS A 95 10.588 16.414 6.378 1.00 61.43 C ATOM 1544 CG HIS A 95 9.100 16.579 6.267 1.00 13.12 C ATOM 1545 ND1 HIS A 95 8.490 17.342 5.291 1.00 2.24 N ATOM 1546 CD2 HIS A 95 8.096 16.078 7.023 1.00 21.54 C ATOM 1547 CE1 HIS A 95 7.183 17.306 5.457 1.00 23.12 C ATOM 1548 NE2 HIS A 95 6.919 16.549 6.498 1.00 21.33 N ATOM 0 H HIS A 95 12.998 15.923 6.301 1.00 10.41 H new ATOM 0 HA HIS A 95 10.729 14.309 5.913 1.00 62.42 H new ATOM 0 HB2 HIS A 95 10.849 16.266 7.426 1.00 61.43 H new ATOM 0 HB3 HIS A 95 11.070 17.337 6.057 1.00 61.43 H new ATOM 0 HD2 HIS A 95 8.201 15.429 7.880 1.00 21.54 H new ATOM 0 HE1 HIS A 95 6.454 17.812 4.842 1.00 23.12 H new ATOM 0 HE2 HIS A 95 5.987 16.344 6.859 1.00 21.33 H new ATOM 1557 N ASN A 96 11.507 16.244 3.359 1.00 63.42 N ATOM 1558 CA ASN A 96 11.223 16.505 1.946 1.00 53.44 C ATOM 1559 C ASN A 96 11.578 15.285 1.082 1.00 21.45 C ATOM 1560 O ASN A 96 10.899 14.987 0.101 1.00 23.51 O ATOM 1561 CB ASN A 96 11.989 17.748 1.468 1.00 13.10 C ATOM 1562 CG ASN A 96 11.529 18.234 0.102 1.00 64.21 C ATOM 1563 OD1 ASN A 96 10.373 18.061 -0.280 1.00 1.24 O ATOM 1564 ND2 ASN A 96 12.418 18.861 -0.639 1.00 50.53 N ATOM 0 H ASN A 96 12.314 16.749 3.726 1.00 63.42 H new ATOM 0 HA ASN A 96 10.155 16.694 1.840 1.00 53.44 H new ATOM 0 HB2 ASN A 96 11.862 18.550 2.196 1.00 13.10 H new ATOM 0 HB3 ASN A 96 13.054 17.520 1.428 1.00 13.10 H new ATOM 0 HD21 ASN A 96 12.155 19.219 -1.557 1.00 50.53 H new ATOM 0 HD22 ASN A 96 13.370 18.989 -0.295 1.00 50.53 H new ATOM 1571 N LYS A 97 12.641 14.573 1.455 1.00 12.32 N ATOM 1572 CA LYS A 97 13.032 13.349 0.745 1.00 1.02 C ATOM 1573 C LYS A 97 11.990 12.231 0.917 1.00 45.53 C ATOM 1574 O LYS A 97 11.463 11.702 -0.064 1.00 53.22 O ATOM 1575 CB LYS A 97 14.398 12.841 1.231 1.00 22.11 C ATOM 1576 CG LYS A 97 15.587 13.703 0.812 1.00 12.22 C ATOM 1577 CD LYS A 97 16.910 13.048 1.209 1.00 2.14 C ATOM 1578 CE LYS A 97 18.119 13.806 0.670 1.00 21.45 C ATOM 1579 NZ LYS A 97 19.394 13.107 0.988 1.00 2.01 N ATOM 0 H LYS A 97 13.245 14.818 2.239 1.00 12.32 H new ATOM 0 HA LYS A 97 13.095 13.608 -0.312 1.00 1.02 H new ATOM 0 HB2 LYS A 97 14.380 12.776 2.319 1.00 22.11 H new ATOM 0 HB3 LYS A 97 14.549 11.830 0.854 1.00 22.11 H new ATOM 0 HG2 LYS A 97 15.564 13.859 -0.267 1.00 12.22 H new ATOM 0 HG3 LYS A 97 15.510 14.685 1.278 1.00 12.22 H new ATOM 0 HD2 LYS A 97 16.974 12.994 2.296 1.00 2.14 H new ATOM 0 HD3 LYS A 97 16.931 12.024 0.837 1.00 2.14 H new ATOM 0 HE2 LYS A 97 18.026 13.919 -0.410 1.00 21.45 H new ATOM 0 HE3 LYS A 97 18.138 14.810 1.095 1.00 21.45 H new ATOM 0 HZ1 LYS A 97 20.193 13.652 0.606 1.00 2.01 H new ATOM 0 HZ2 LYS A 97 19.495 13.021 2.020 1.00 2.01 H new ATOM 0 HZ3 LYS A 97 19.386 12.159 0.561 1.00 2.01 H new ATOM 1593 N MET A 98 11.699 11.880 2.171 1.00 11.12 N ATOM 1594 CA MET A 98 10.808 10.757 2.484 1.00 61.25 C ATOM 1595 C MET A 98 9.407 10.924 1.859 1.00 35.21 C ATOM 1596 O MET A 98 8.812 9.951 1.398 1.00 1.34 O ATOM 1597 CB MET A 98 10.703 10.574 4.007 1.00 74.44 C ATOM 1598 CG MET A 98 10.022 11.730 4.731 1.00 64.13 C ATOM 1599 SD MET A 98 10.194 11.634 6.524 1.00 13.05 S ATOM 1600 CE MET A 98 9.525 10.006 6.862 1.00 14.53 C ATOM 0 H MET A 98 12.069 12.359 2.992 1.00 11.12 H new ATOM 0 HA MET A 98 11.246 9.862 2.042 1.00 61.25 H new ATOM 0 HB2 MET A 98 10.153 9.656 4.214 1.00 74.44 H new ATOM 0 HB3 MET A 98 11.705 10.444 4.416 1.00 74.44 H new ATOM 0 HG2 MET A 98 10.445 12.671 4.380 1.00 64.13 H new ATOM 0 HG3 MET A 98 8.963 11.741 4.473 1.00 64.13 H new ATOM 0 HE1 MET A 98 8.895 10.049 7.751 1.00 14.53 H new ATOM 0 HE2 MET A 98 8.930 9.673 6.011 1.00 14.53 H new ATOM 0 HE3 MET A 98 10.342 9.305 7.030 1.00 14.53 H new ATOM 1610 N LYS A 99 8.886 12.154 1.829 1.00 15.51 N ATOM 1611 CA LYS A 99 7.557 12.398 1.249 1.00 24.41 C ATOM 1612 C LYS A 99 7.556 12.150 -0.271 1.00 55.23 C ATOM 1613 O LYS A 99 6.581 11.632 -0.821 1.00 34.25 O ATOM 1614 CB LYS A 99 7.069 13.822 1.549 1.00 4.02 C ATOM 1615 CG LYS A 99 7.880 14.917 0.863 1.00 10.21 C ATOM 1616 CD LYS A 99 7.231 16.289 1.010 1.00 0.24 C ATOM 1617 CE LYS A 99 5.850 16.330 0.364 1.00 41.51 C ATOM 1618 NZ LYS A 99 5.228 17.674 0.470 1.00 34.30 N ATOM 0 H LYS A 99 9.353 12.985 2.192 1.00 15.51 H new ATOM 0 HA LYS A 99 6.870 11.692 1.715 1.00 24.41 H new ATOM 0 HB2 LYS A 99 6.027 13.910 1.241 1.00 4.02 H new ATOM 0 HB3 LYS A 99 7.098 13.985 2.626 1.00 4.02 H new ATOM 0 HG2 LYS A 99 8.884 14.944 1.287 1.00 10.21 H new ATOM 0 HG3 LYS A 99 7.988 14.679 -0.195 1.00 10.21 H new ATOM 0 HD2 LYS A 99 7.146 16.540 2.067 1.00 0.24 H new ATOM 0 HD3 LYS A 99 7.870 17.045 0.553 1.00 0.24 H new ATOM 0 HE2 LYS A 99 5.932 16.050 -0.686 1.00 41.51 H new ATOM 0 HE3 LYS A 99 5.204 15.593 0.841 1.00 41.51 H new ATOM 0 HZ1 LYS A 99 4.291 17.659 0.019 1.00 34.30 H new ATOM 0 HZ2 LYS A 99 5.126 17.931 1.473 1.00 34.30 H new ATOM 0 HZ3 LYS A 99 5.831 18.374 -0.007 1.00 34.30 H new ATOM 1632 N ARG A 100 8.656 12.512 -0.939 1.00 62.34 N ATOM 1633 CA ARG A 100 8.796 12.292 -2.385 1.00 73.24 C ATOM 1634 C ARG A 100 8.660 10.805 -2.726 1.00 54.04 C ATOM 1635 O ARG A 100 7.939 10.427 -3.650 1.00 25.22 O ATOM 1636 CB ARG A 100 10.151 12.816 -2.880 1.00 3.43 C ATOM 1637 CG ARG A 100 10.304 14.330 -2.772 1.00 64.44 C ATOM 1638 CD ARG A 100 11.724 14.785 -3.099 1.00 14.33 C ATOM 1639 NE ARG A 100 12.126 14.407 -4.453 1.00 54.03 N ATOM 1640 CZ ARG A 100 13.063 13.539 -4.729 1.00 43.44 C ATOM 1641 NH1 ARG A 100 13.692 12.925 -3.777 1.00 24.42 N ATOM 1642 NH2 ARG A 100 13.364 13.283 -5.960 1.00 41.03 N ATOM 0 H ARG A 100 9.463 12.959 -0.503 1.00 62.34 H new ATOM 0 HA ARG A 100 7.998 12.840 -2.886 1.00 73.24 H new ATOM 0 HB2 ARG A 100 10.946 12.338 -2.307 1.00 3.43 H new ATOM 0 HB3 ARG A 100 10.286 12.520 -3.920 1.00 3.43 H new ATOM 0 HG2 ARG A 100 9.602 14.815 -3.451 1.00 64.44 H new ATOM 0 HG3 ARG A 100 10.044 14.650 -1.763 1.00 64.44 H new ATOM 0 HD2 ARG A 100 11.791 15.868 -2.991 1.00 14.33 H new ATOM 0 HD3 ARG A 100 12.418 14.349 -2.380 1.00 14.33 H new ATOM 0 HE ARG A 100 11.643 14.850 -5.234 1.00 54.03 H new ATOM 0 HH11 ARG A 100 13.457 13.118 -2.803 1.00 24.42 H new ATOM 0 HH12 ARG A 100 14.422 12.249 -4.001 1.00 24.42 H new ATOM 0 HH21 ARG A 100 12.870 13.759 -6.715 1.00 41.03 H new ATOM 0 HH22 ARG A 100 14.095 12.606 -6.176 1.00 41.03 H new ATOM 1656 N GLU A 101 9.362 9.969 -1.969 1.00 3.33 N ATOM 1657 CA GLU A 101 9.269 8.519 -2.130 1.00 44.42 C ATOM 1658 C GLU A 101 7.856 8.024 -1.774 1.00 62.21 C ATOM 1659 O GLU A 101 7.305 7.146 -2.437 1.00 32.43 O ATOM 1660 CB GLU A 101 10.313 7.823 -1.243 1.00 40.50 C ATOM 1661 CG GLU A 101 11.747 8.306 -1.461 1.00 24.50 C ATOM 1662 CD GLU A 101 12.258 8.046 -2.871 1.00 41.02 C ATOM 1663 OE1 GLU A 101 12.803 6.950 -3.121 1.00 61.22 O ATOM 1664 OE2 GLU A 101 12.128 8.938 -3.737 1.00 71.01 O ATOM 0 H GLU A 101 10.004 10.270 -1.235 1.00 3.33 H new ATOM 0 HA GLU A 101 9.468 8.272 -3.173 1.00 44.42 H new ATOM 0 HB2 GLU A 101 10.045 7.977 -0.198 1.00 40.50 H new ATOM 0 HB3 GLU A 101 10.272 6.750 -1.428 1.00 40.50 H new ATOM 0 HG2 GLU A 101 11.799 9.375 -1.254 1.00 24.50 H new ATOM 0 HG3 GLU A 101 12.404 7.810 -0.746 1.00 24.50 H new ATOM 1671 N LEU A 102 7.271 8.607 -0.725 1.00 61.14 N ATOM 1672 CA LEU A 102 5.917 8.248 -0.273 1.00 2.13 C ATOM 1673 C LEU A 102 4.863 8.455 -1.378 1.00 45.42 C ATOM 1674 O LEU A 102 3.874 7.722 -1.454 1.00 15.44 O ATOM 1675 CB LEU A 102 5.542 9.071 0.970 1.00 24.01 C ATOM 1676 CG LEU A 102 4.133 8.817 1.537 1.00 40.11 C ATOM 1677 CD1 LEU A 102 3.952 7.345 1.895 1.00 51.55 C ATOM 1678 CD2 LEU A 102 3.870 9.705 2.754 1.00 25.42 C ATOM 0 H LEU A 102 7.715 9.336 -0.166 1.00 61.14 H new ATOM 0 HA LEU A 102 5.926 7.187 -0.023 1.00 2.13 H new ATOM 0 HB2 LEU A 102 6.272 8.865 1.753 1.00 24.01 H new ATOM 0 HB3 LEU A 102 5.629 10.129 0.723 1.00 24.01 H new ATOM 0 HG LEU A 102 3.406 9.072 0.766 1.00 40.11 H new ATOM 0 HD11 LEU A 102 2.950 7.188 2.294 1.00 51.55 H new ATOM 0 HD12 LEU A 102 4.087 6.734 1.002 1.00 51.55 H new ATOM 0 HD13 LEU A 102 4.690 7.060 2.645 1.00 51.55 H new ATOM 0 HD21 LEU A 102 2.869 9.509 3.138 1.00 25.42 H new ATOM 0 HD22 LEU A 102 4.605 9.487 3.529 1.00 25.42 H new ATOM 0 HD23 LEU A 102 3.948 10.753 2.464 1.00 25.42 H new ATOM 1690 N GLN A 103 5.080 9.447 -2.239 1.00 44.10 N ATOM 1691 CA GLN A 103 4.148 9.720 -3.340 1.00 64.44 C ATOM 1692 C GLN A 103 4.032 8.520 -4.293 1.00 30.34 C ATOM 1693 O GLN A 103 2.992 8.308 -4.911 1.00 70.13 O ATOM 1694 CB GLN A 103 4.568 10.982 -4.107 1.00 41.32 C ATOM 1695 CG GLN A 103 4.557 12.247 -3.254 1.00 31.24 C ATOM 1696 CD GLN A 103 3.250 12.426 -2.491 1.00 21.21 C ATOM 1697 OE1 GLN A 103 2.302 13.037 -2.977 1.00 10.55 O ATOM 1698 NE2 GLN A 103 3.190 11.888 -1.290 1.00 41.51 N ATOM 0 H GLN A 103 5.885 10.072 -2.200 1.00 44.10 H new ATOM 0 HA GLN A 103 3.164 9.891 -2.903 1.00 64.44 H new ATOM 0 HB2 GLN A 103 5.570 10.835 -4.511 1.00 41.32 H new ATOM 0 HB3 GLN A 103 3.899 11.121 -4.956 1.00 41.32 H new ATOM 0 HG2 GLN A 103 5.385 12.211 -2.546 1.00 31.24 H new ATOM 0 HG3 GLN A 103 4.722 13.114 -3.894 1.00 31.24 H new ATOM 0 HE21 GLN A 103 3.995 11.387 -0.915 1.00 41.51 H new ATOM 0 HE22 GLN A 103 2.338 11.973 -0.735 1.00 41.51 H new ATOM 1707 N ARG A 104 5.097 7.722 -4.390 1.00 23.40 N ATOM 1708 CA ARG A 104 5.065 6.480 -5.177 1.00 21.34 C ATOM 1709 C ARG A 104 3.989 5.521 -4.642 1.00 42.31 C ATOM 1710 O ARG A 104 3.405 4.737 -5.390 1.00 15.11 O ATOM 1711 CB ARG A 104 6.437 5.792 -5.143 1.00 0.53 C ATOM 1712 CG ARG A 104 7.562 6.628 -5.741 1.00 71.33 C ATOM 1713 CD ARG A 104 7.381 6.844 -7.241 1.00 34.53 C ATOM 1714 NE ARG A 104 7.441 5.589 -7.987 1.00 11.14 N ATOM 1715 CZ ARG A 104 7.360 5.505 -9.288 1.00 62.14 C ATOM 1716 NH1 ARG A 104 7.147 6.559 -10.009 1.00 54.13 N ATOM 1717 NH2 ARG A 104 7.467 4.358 -9.871 1.00 11.32 N ATOM 0 H ARG A 104 5.991 7.909 -3.936 1.00 23.40 H new ATOM 0 HA ARG A 104 4.820 6.739 -6.207 1.00 21.34 H new ATOM 0 HB2 ARG A 104 6.686 5.551 -4.110 1.00 0.53 H new ATOM 0 HB3 ARG A 104 6.372 4.848 -5.684 1.00 0.53 H new ATOM 0 HG2 ARG A 104 7.602 7.594 -5.238 1.00 71.33 H new ATOM 0 HG3 ARG A 104 8.516 6.134 -5.559 1.00 71.33 H new ATOM 0 HD2 ARG A 104 6.422 7.329 -7.424 1.00 34.53 H new ATOM 0 HD3 ARG A 104 8.155 7.520 -7.606 1.00 34.53 H new ATOM 0 HE ARG A 104 7.553 4.724 -7.458 1.00 11.14 H new ATOM 0 HH11 ARG A 104 7.040 7.470 -9.562 1.00 54.13 H new ATOM 0 HH12 ARG A 104 7.086 6.479 -11.024 1.00 54.13 H new ATOM 0 HH21 ARG A 104 7.615 3.515 -9.316 1.00 11.32 H new ATOM 0 HH22 ARG A 104 7.403 4.294 -10.887 1.00 11.32 H new ATOM 1731 N VAL A 105 3.733 5.604 -3.341 1.00 41.44 N ATOM 1732 CA VAL A 105 2.721 4.772 -2.690 1.00 73.35 C ATOM 1733 C VAL A 105 1.320 5.406 -2.803 1.00 45.41 C ATOM 1734 O VAL A 105 0.339 4.722 -3.107 1.00 61.22 O ATOM 1735 CB VAL A 105 3.069 4.548 -1.196 1.00 60.30 C ATOM 1736 CG1 VAL A 105 2.089 3.576 -0.540 1.00 22.34 C ATOM 1737 CG2 VAL A 105 4.511 4.059 -1.045 1.00 13.21 C ATOM 0 H VAL A 105 4.215 6.244 -2.710 1.00 41.44 H new ATOM 0 HA VAL A 105 2.712 3.810 -3.203 1.00 73.35 H new ATOM 0 HB VAL A 105 2.979 5.505 -0.682 1.00 60.30 H new ATOM 0 HG11 VAL A 105 2.359 3.439 0.507 1.00 22.34 H new ATOM 0 HG12 VAL A 105 1.078 3.979 -0.605 1.00 22.34 H new ATOM 0 HG13 VAL A 105 2.130 2.616 -1.054 1.00 22.34 H new ATOM 0 HG21 VAL A 105 4.735 3.908 0.011 1.00 13.21 H new ATOM 0 HG22 VAL A 105 4.634 3.118 -1.580 1.00 13.21 H new ATOM 0 HG23 VAL A 105 5.193 4.803 -1.458 1.00 13.21 H new ATOM 1747 N GLU A 106 1.234 6.720 -2.574 1.00 5.12 N ATOM 1748 CA GLU A 106 -0.052 7.432 -2.638 1.00 24.34 C ATOM 1749 C GLU A 106 -0.619 7.476 -4.067 1.00 50.21 C ATOM 1750 O GLU A 106 -1.783 7.134 -4.290 1.00 54.30 O ATOM 1751 CB GLU A 106 0.079 8.859 -2.091 1.00 44.24 C ATOM 1752 CG GLU A 106 0.444 8.934 -0.611 1.00 74.35 C ATOM 1753 CD GLU A 106 0.213 10.321 -0.026 1.00 10.14 C ATOM 1754 OE1 GLU A 106 -0.947 10.791 -0.058 1.00 12.14 O ATOM 1755 OE2 GLU A 106 1.171 10.943 0.472 1.00 64.34 O ATOM 0 H GLU A 106 2.032 7.312 -2.344 1.00 5.12 H new ATOM 0 HA GLU A 106 -0.749 6.872 -2.014 1.00 24.34 H new ATOM 0 HB2 GLU A 106 0.838 9.388 -2.667 1.00 44.24 H new ATOM 0 HB3 GLU A 106 -0.864 9.383 -2.248 1.00 44.24 H new ATOM 0 HG2 GLU A 106 -0.147 8.206 -0.056 1.00 74.35 H new ATOM 0 HG3 GLU A 106 1.491 8.658 -0.483 1.00 74.35 H new ATOM 1762 N ASP A 107 0.198 7.899 -5.034 1.00 43.13 N ATOM 1763 CA ASP A 107 -0.222 7.928 -6.443 1.00 41.30 C ATOM 1764 C ASP A 107 -0.628 6.533 -6.948 1.00 62.20 C ATOM 1765 O ASP A 107 -1.301 6.401 -7.972 1.00 2.43 O ATOM 1766 CB ASP A 107 0.874 8.532 -7.326 1.00 23.23 C ATOM 1767 CG ASP A 107 0.956 10.040 -7.168 1.00 40.33 C ATOM 1768 OD1 ASP A 107 1.637 10.515 -6.238 1.00 20.44 O ATOM 1769 OD2 ASP A 107 0.314 10.760 -7.965 1.00 25.52 O ATOM 0 H ASP A 107 1.151 8.225 -4.872 1.00 43.13 H new ATOM 0 HA ASP A 107 -1.104 8.565 -6.507 1.00 41.30 H new ATOM 0 HB2 ASP A 107 1.835 8.087 -7.069 1.00 23.23 H new ATOM 0 HB3 ASP A 107 0.677 8.286 -8.369 1.00 23.23 H new ATOM 1774 N SER A 108 -0.210 5.498 -6.229 1.00 41.22 N ATOM 1775 CA SER A 108 -0.695 4.139 -6.482 1.00 53.22 C ATOM 1776 C SER A 108 -2.089 3.939 -5.867 1.00 21.42 C ATOM 1777 O SER A 108 -3.044 3.604 -6.563 1.00 44.11 O ATOM 1778 CB SER A 108 0.281 3.099 -5.911 1.00 42.24 C ATOM 1779 OG SER A 108 1.555 3.196 -6.530 1.00 71.34 O ATOM 0 H SER A 108 0.463 5.570 -5.466 1.00 41.22 H new ATOM 0 HA SER A 108 -0.763 4.001 -7.561 1.00 53.22 H new ATOM 0 HB2 SER A 108 0.384 3.245 -4.836 1.00 42.24 H new ATOM 0 HB3 SER A 108 -0.123 2.098 -6.059 1.00 42.24 H new ATOM 0 HG SER A 108 2.196 3.587 -5.900 1.00 71.34 H new ATOM 1785 N HIS A 109 -2.201 4.188 -4.562 1.00 51.24 N ATOM 1786 CA HIS A 109 -3.454 3.969 -3.817 1.00 34.44 C ATOM 1787 C HIS A 109 -4.647 4.725 -4.432 1.00 63.23 C ATOM 1788 O HIS A 109 -5.756 4.198 -4.500 1.00 11.35 O ATOM 1789 CB HIS A 109 -3.259 4.386 -2.352 1.00 25.22 C ATOM 1790 CG HIS A 109 -4.454 4.158 -1.469 1.00 21.30 C ATOM 1791 ND1 HIS A 109 -5.206 3.002 -1.487 1.00 24.12 N ATOM 1792 CD2 HIS A 109 -5.013 4.945 -0.519 1.00 52.41 C ATOM 1793 CE1 HIS A 109 -6.167 3.090 -0.590 1.00 3.52 C ATOM 1794 NE2 HIS A 109 -6.073 4.256 0.010 1.00 30.44 N ATOM 0 H HIS A 109 -1.436 4.545 -3.990 1.00 51.24 H new ATOM 0 HA HIS A 109 -3.690 2.906 -3.875 1.00 34.44 H new ATOM 0 HB2 HIS A 109 -2.411 3.837 -1.942 1.00 25.22 H new ATOM 0 HB3 HIS A 109 -2.998 5.444 -2.321 1.00 25.22 H new ATOM 0 HD1 HIS A 109 -5.043 2.203 -2.100 1.00 24.12 H new ATOM 0 HD2 HIS A 109 -4.684 5.933 -0.232 1.00 52.41 H new ATOM 0 HE1 HIS A 109 -6.908 2.332 -0.382 1.00 3.52 H new ATOM 1803 N GLN A 110 -4.415 5.956 -4.889 1.00 45.43 N ATOM 1804 CA GLN A 110 -5.491 6.773 -5.464 1.00 25.05 C ATOM 1805 C GLN A 110 -6.099 6.125 -6.723 1.00 34.10 C ATOM 1806 O GLN A 110 -7.319 6.042 -6.853 1.00 53.33 O ATOM 1807 CB GLN A 110 -4.995 8.198 -5.772 1.00 33.21 C ATOM 1808 CG GLN A 110 -3.840 8.272 -6.761 1.00 24.41 C ATOM 1809 CD GLN A 110 -3.413 9.701 -7.058 1.00 1.21 C ATOM 1810 OE1 GLN A 110 -2.499 10.229 -6.268 1.00 3.11 O flip ATOM 1811 NE2 GLN A 110 -3.913 10.331 -7.985 1.00 33.25 N flip ATOM 0 H GLN A 110 -3.501 6.409 -4.874 1.00 45.43 H new ATOM 0 HA GLN A 110 -6.281 6.835 -4.716 1.00 25.05 H new ATOM 0 HB2 GLN A 110 -5.828 8.781 -6.164 1.00 33.21 H new ATOM 0 HB3 GLN A 110 -4.687 8.670 -4.839 1.00 33.21 H new ATOM 0 HG2 GLN A 110 -2.990 7.718 -6.363 1.00 24.41 H new ATOM 0 HG3 GLN A 110 -4.131 7.783 -7.691 1.00 24.41 H new ATOM 0 HE21 GLN A 110 -4.618 9.893 -8.578 1.00 33.25 H new ATOM 0 HE22 GLN A 110 -3.624 11.293 -8.163 1.00 33.25 H new ATOM 1820 N ILE A 111 -5.256 5.644 -7.639 1.00 44.44 N ATOM 1821 CA ILE A 111 -5.754 5.022 -8.875 1.00 43.21 C ATOM 1822 C ILE A 111 -6.322 3.615 -8.611 1.00 61.15 C ATOM 1823 O ILE A 111 -7.249 3.174 -9.295 1.00 54.21 O ATOM 1824 CB ILE A 111 -4.666 4.953 -9.981 1.00 64.34 C ATOM 1825 CG1 ILE A 111 -3.475 4.084 -9.540 1.00 55.12 C ATOM 1826 CG2 ILE A 111 -4.197 6.359 -10.356 1.00 41.30 C ATOM 1827 CD1 ILE A 111 -2.406 3.922 -10.602 1.00 4.31 C ATOM 0 H ILE A 111 -4.240 5.670 -7.554 1.00 44.44 H new ATOM 0 HA ILE A 111 -6.558 5.664 -9.235 1.00 43.21 H new ATOM 0 HB ILE A 111 -5.110 4.487 -10.861 1.00 64.34 H new ATOM 0 HG12 ILE A 111 -3.026 4.525 -8.651 1.00 55.12 H new ATOM 0 HG13 ILE A 111 -3.843 3.098 -9.255 1.00 55.12 H new ATOM 0 HG21 ILE A 111 -3.435 6.293 -11.132 1.00 41.30 H new ATOM 0 HG22 ILE A 111 -5.043 6.938 -10.726 1.00 41.30 H new ATOM 0 HG23 ILE A 111 -3.779 6.849 -9.477 1.00 41.30 H new ATOM 0 HD11 ILE A 111 -1.601 3.297 -10.215 1.00 4.31 H new ATOM 0 HD12 ILE A 111 -2.839 3.451 -11.485 1.00 4.31 H new ATOM 0 HD13 ILE A 111 -2.009 4.901 -10.870 1.00 4.31 H new ATOM 1839 N LEU A 112 -5.766 2.916 -7.617 1.00 63.12 N ATOM 1840 CA LEU A 112 -6.292 1.607 -7.200 1.00 2.04 C ATOM 1841 C LEU A 112 -7.740 1.738 -6.695 1.00 4.53 C ATOM 1842 O LEU A 112 -8.627 0.985 -7.102 1.00 44.41 O ATOM 1843 CB LEU A 112 -5.409 0.995 -6.099 1.00 21.25 C ATOM 1844 CG LEU A 112 -3.947 0.723 -6.492 1.00 21.02 C ATOM 1845 CD1 LEU A 112 -3.165 0.169 -5.305 1.00 30.33 C ATOM 1846 CD2 LEU A 112 -3.861 -0.225 -7.686 1.00 23.34 C ATOM 0 H LEU A 112 -4.954 3.231 -7.086 1.00 63.12 H new ATOM 0 HA LEU A 112 -6.281 0.948 -8.068 1.00 2.04 H new ATOM 0 HB2 LEU A 112 -5.416 1.664 -5.239 1.00 21.25 H new ATOM 0 HB3 LEU A 112 -5.860 0.057 -5.777 1.00 21.25 H new ATOM 0 HG LEU A 112 -3.499 1.671 -6.788 1.00 21.02 H new ATOM 0 HD11 LEU A 112 -2.133 -0.017 -5.604 1.00 30.33 H new ATOM 0 HD12 LEU A 112 -3.182 0.891 -4.489 1.00 30.33 H new ATOM 0 HD13 LEU A 112 -3.620 -0.764 -4.973 1.00 30.33 H new ATOM 0 HD21 LEU A 112 -2.815 -0.397 -7.939 1.00 23.34 H new ATOM 0 HD22 LEU A 112 -4.334 -1.174 -7.432 1.00 23.34 H new ATOM 0 HD23 LEU A 112 -4.373 0.218 -8.540 1.00 23.34 H new ATOM 1858 N SER A 113 -7.964 2.713 -5.814 1.00 4.43 N ATOM 1859 CA SER A 113 -9.302 2.997 -5.271 1.00 42.24 C ATOM 1860 C SER A 113 -10.307 3.323 -6.384 1.00 21.41 C ATOM 1861 O SER A 113 -11.412 2.773 -6.424 1.00 4.35 O ATOM 1862 CB SER A 113 -9.236 4.170 -4.279 1.00 1.13 C ATOM 1863 OG SER A 113 -10.502 4.420 -3.678 1.00 22.42 O ATOM 0 H SER A 113 -7.232 3.327 -5.456 1.00 4.43 H new ATOM 0 HA SER A 113 -9.643 2.099 -4.756 1.00 42.24 H new ATOM 0 HB2 SER A 113 -8.502 3.951 -3.504 1.00 1.13 H new ATOM 0 HB3 SER A 113 -8.895 5.066 -4.797 1.00 1.13 H new ATOM 0 HG SER A 113 -10.425 5.170 -3.052 1.00 22.42 H new ATOM 1869 N GLN A 114 -9.915 4.216 -7.294 1.00 12.33 N ATOM 1870 CA GLN A 114 -10.789 4.628 -8.401 1.00 70.31 C ATOM 1871 C GLN A 114 -11.134 3.449 -9.326 1.00 74.05 C ATOM 1872 O GLN A 114 -12.305 3.213 -9.629 1.00 2.21 O ATOM 1873 CB GLN A 114 -10.136 5.759 -9.208 1.00 23.33 C ATOM 1874 CG GLN A 114 -9.843 7.014 -8.388 1.00 54.12 C ATOM 1875 CD GLN A 114 -11.078 7.616 -7.724 1.00 34.24 C ATOM 1876 OE1 GLN A 114 -12.227 7.503 -8.362 1.00 3.54 O flip ATOM 1877 NE2 GLN A 114 -10.993 8.199 -6.648 1.00 70.22 N flip ATOM 0 H GLN A 114 -9.001 4.669 -7.289 1.00 12.33 H new ATOM 0 HA GLN A 114 -11.719 4.991 -7.964 1.00 70.31 H new ATOM 0 HB2 GLN A 114 -9.204 5.393 -9.640 1.00 23.33 H new ATOM 0 HB3 GLN A 114 -10.790 6.024 -10.039 1.00 23.33 H new ATOM 0 HG2 GLN A 114 -9.110 6.772 -7.619 1.00 54.12 H new ATOM 0 HG3 GLN A 114 -9.389 7.763 -9.037 1.00 54.12 H new ATOM 0 HE21 GLN A 114 -10.091 8.271 -6.177 1.00 70.22 H new ATOM 0 HE22 GLN A 114 -11.824 8.612 -6.224 1.00 70.22 H new ATOM 1886 N THR A 115 -10.115 2.707 -9.770 1.00 64.02 N ATOM 1887 CA THR A 115 -10.339 1.533 -10.635 1.00 3.23 C ATOM 1888 C THR A 115 -11.281 0.521 -9.973 1.00 51.43 C ATOM 1889 O THR A 115 -12.288 0.118 -10.559 1.00 64.23 O ATOM 1890 CB THR A 115 -9.022 0.806 -11.004 1.00 74.21 C ATOM 1891 OG1 THR A 115 -8.307 0.451 -9.814 1.00 34.24 O ATOM 1892 CG2 THR A 115 -8.138 1.670 -11.898 1.00 54.22 C ATOM 0 H THR A 115 -9.136 2.891 -9.551 1.00 64.02 H new ATOM 0 HA THR A 115 -10.792 1.923 -11.546 1.00 3.23 H new ATOM 0 HB THR A 115 -9.283 -0.096 -11.557 1.00 74.21 H new ATOM 0 HG1 THR A 115 -7.909 1.255 -9.419 1.00 34.24 H new ATOM 0 HG21 THR A 115 -7.223 1.129 -12.137 1.00 54.22 H new ATOM 0 HG22 THR A 115 -8.671 1.905 -12.819 1.00 54.22 H new ATOM 0 HG23 THR A 115 -7.887 2.594 -11.378 1.00 54.22 H new ATOM 1900 N SER A 116 -10.949 0.123 -8.746 1.00 21.33 N ATOM 1901 CA SER A 116 -11.781 -0.812 -7.974 1.00 14.23 C ATOM 1902 C SER A 116 -13.217 -0.294 -7.828 1.00 34.04 C ATOM 1903 O SER A 116 -14.184 -1.055 -7.934 1.00 4.54 O ATOM 1904 CB SER A 116 -11.170 -1.046 -6.583 1.00 33.11 C ATOM 1905 OG SER A 116 -11.978 -1.919 -5.798 1.00 42.45 O ATOM 0 H SER A 116 -10.107 0.432 -8.260 1.00 21.33 H new ATOM 0 HA SER A 116 -11.812 -1.755 -8.520 1.00 14.23 H new ATOM 0 HB2 SER A 116 -10.172 -1.470 -6.690 1.00 33.11 H new ATOM 0 HB3 SER A 116 -11.058 -0.092 -6.069 1.00 33.11 H new ATOM 0 HG SER A 116 -11.562 -2.049 -4.920 1.00 42.45 H new ATOM 1911 N HIS A 117 -13.354 1.008 -7.591 1.00 74.23 N ATOM 1912 CA HIS A 117 -14.672 1.633 -7.454 1.00 24.12 C ATOM 1913 C HIS A 117 -15.483 1.497 -8.751 1.00 25.14 C ATOM 1914 O HIS A 117 -16.633 1.059 -8.733 1.00 34.13 O ATOM 1915 CB HIS A 117 -14.528 3.113 -7.084 1.00 60.30 C ATOM 1916 CG HIS A 117 -15.815 3.731 -6.638 1.00 14.04 C ATOM 1917 ND1 HIS A 117 -16.691 4.368 -7.489 1.00 35.42 N ATOM 1918 CD2 HIS A 117 -16.381 3.788 -5.413 1.00 62.30 C ATOM 1919 CE1 HIS A 117 -17.736 4.789 -6.807 1.00 22.21 C ATOM 1920 NE2 HIS A 117 -17.574 4.449 -5.550 1.00 65.12 N ATOM 0 H HIS A 117 -12.570 1.653 -7.489 1.00 74.23 H new ATOM 0 HA HIS A 117 -15.205 1.117 -6.656 1.00 24.12 H new ATOM 0 HB2 HIS A 117 -13.789 3.213 -6.289 1.00 60.30 H new ATOM 0 HB3 HIS A 117 -14.147 3.662 -7.945 1.00 60.30 H new ATOM 0 HD1 HIS A 117 -16.552 4.494 -8.492 1.00 35.42 H new ATOM 0 HD2 HIS A 117 -15.971 3.388 -4.498 1.00 62.30 H new ATOM 0 HE1 HIS A 117 -18.582 5.323 -7.213 1.00 22.21 H new ATOM 1929 N ASP A 118 -14.868 1.869 -9.869 1.00 54.33 N ATOM 1930 CA ASP A 118 -15.506 1.759 -11.188 1.00 13.52 C ATOM 1931 C ASP A 118 -15.897 0.303 -11.501 1.00 22.34 C ATOM 1932 O ASP A 118 -16.976 0.041 -12.036 1.00 24.40 O ATOM 1933 CB ASP A 118 -14.571 2.316 -12.269 1.00 15.41 C ATOM 1934 CG ASP A 118 -15.119 2.134 -13.676 1.00 11.31 C ATOM 1935 OD1 ASP A 118 -16.025 2.895 -14.075 1.00 11.04 O ATOM 1936 OD2 ASP A 118 -14.635 1.231 -14.398 1.00 73.54 O ATOM 0 H ASP A 118 -13.923 2.252 -9.894 1.00 54.33 H new ATOM 0 HA ASP A 118 -16.423 2.348 -11.176 1.00 13.52 H new ATOM 0 HB2 ASP A 118 -14.402 3.377 -12.085 1.00 15.41 H new ATOM 0 HB3 ASP A 118 -13.603 1.821 -12.195 1.00 15.41 H new ATOM 1941 N LEU A 119 -15.022 -0.644 -11.158 1.00 32.53 N ATOM 1942 CA LEU A 119 -15.327 -2.070 -11.331 1.00 44.10 C ATOM 1943 C LEU A 119 -16.538 -2.479 -10.475 1.00 30.11 C ATOM 1944 O LEU A 119 -17.369 -3.287 -10.895 1.00 21.12 O ATOM 1945 CB LEU A 119 -14.106 -2.929 -10.971 1.00 62.10 C ATOM 1946 CG LEU A 119 -12.845 -2.664 -11.813 1.00 55.54 C ATOM 1947 CD1 LEU A 119 -11.705 -3.586 -11.386 1.00 22.22 C ATOM 1948 CD2 LEU A 119 -13.144 -2.822 -13.303 1.00 54.03 C ATOM 0 H LEU A 119 -14.102 -0.454 -10.761 1.00 32.53 H new ATOM 0 HA LEU A 119 -15.576 -2.238 -12.379 1.00 44.10 H new ATOM 0 HB2 LEU A 119 -13.863 -2.764 -9.921 1.00 62.10 H new ATOM 0 HB3 LEU A 119 -14.378 -3.979 -11.074 1.00 62.10 H new ATOM 0 HG LEU A 119 -12.531 -1.635 -11.639 1.00 55.54 H new ATOM 0 HD11 LEU A 119 -10.824 -3.381 -11.994 1.00 22.22 H new ATOM 0 HD12 LEU A 119 -11.470 -3.411 -10.336 1.00 22.22 H new ATOM 0 HD13 LEU A 119 -12.007 -4.625 -11.522 1.00 22.22 H new ATOM 0 HD21 LEU A 119 -12.238 -2.630 -13.878 1.00 54.03 H new ATOM 0 HD22 LEU A 119 -13.490 -3.837 -13.499 1.00 54.03 H new ATOM 0 HD23 LEU A 119 -13.917 -2.112 -13.596 1.00 54.03 H new ATOM 1960 N ASN A 120 -16.636 -1.898 -9.279 1.00 51.54 N ATOM 1961 CA ASN A 120 -17.781 -2.122 -8.389 1.00 72.51 C ATOM 1962 C ASN A 120 -19.067 -1.550 -9.010 1.00 34.44 C ATOM 1963 O ASN A 120 -20.134 -2.167 -8.948 1.00 74.20 O ATOM 1964 CB ASN A 120 -17.507 -1.475 -7.025 1.00 40.23 C ATOM 1965 CG ASN A 120 -18.658 -1.622 -6.047 1.00 61.43 C ATOM 1966 OD1 ASN A 120 -19.397 -2.601 -6.072 1.00 72.11 O ATOM 1967 ND2 ASN A 120 -18.824 -0.642 -5.183 1.00 72.13 N ATOM 0 H ASN A 120 -15.932 -1.264 -8.900 1.00 51.54 H new ATOM 0 HA ASN A 120 -17.920 -3.194 -8.252 1.00 72.51 H new ATOM 0 HB2 ASN A 120 -16.612 -1.922 -6.592 1.00 40.23 H new ATOM 0 HB3 ASN A 120 -17.296 -0.416 -7.169 1.00 40.23 H new ATOM 0 HD21 ASN A 120 -19.586 -0.682 -4.506 1.00 72.13 H new ATOM 0 HD22 ASN A 120 -18.190 0.157 -5.191 1.00 72.13 H new ATOM 1974 N GLU A 121 -18.951 -0.372 -9.624 1.00 0.13 N ATOM 1975 CA GLU A 121 -20.077 0.259 -10.325 1.00 43.31 C ATOM 1976 C GLU A 121 -20.461 -0.540 -11.581 1.00 12.23 C ATOM 1977 O GLU A 121 -21.609 -0.519 -12.022 1.00 31.45 O ATOM 1978 CB GLU A 121 -19.724 1.705 -10.698 1.00 21.24 C ATOM 1979 CG GLU A 121 -19.291 2.548 -9.502 1.00 42.41 C ATOM 1980 CD GLU A 121 -19.081 4.011 -9.855 1.00 42.10 C ATOM 1981 OE1 GLU A 121 -20.071 4.770 -9.871 1.00 11.14 O ATOM 1982 OE2 GLU A 121 -17.926 4.414 -10.104 1.00 73.43 O ATOM 0 H GLU A 121 -18.086 0.169 -9.652 1.00 0.13 H new ATOM 0 HA GLU A 121 -20.936 0.267 -9.654 1.00 43.31 H new ATOM 0 HB2 GLU A 121 -18.923 1.697 -11.437 1.00 21.24 H new ATOM 0 HB3 GLU A 121 -20.588 2.173 -11.170 1.00 21.24 H new ATOM 0 HG2 GLU A 121 -20.045 2.473 -8.719 1.00 42.41 H new ATOM 0 HG3 GLU A 121 -18.366 2.142 -9.093 1.00 42.41 H new ATOM 1989 N CYS A 122 -19.484 -1.247 -12.147 1.00 12.11 N ATOM 1990 CA CYS A 122 -19.724 -2.151 -13.283 1.00 63.35 C ATOM 1991 C CYS A 122 -20.095 -3.564 -12.798 1.00 44.33 C ATOM 1992 O CYS A 122 -20.187 -4.504 -13.593 1.00 44.30 O ATOM 1993 CB CYS A 122 -18.482 -2.217 -14.183 1.00 12.24 C ATOM 1994 SG CYS A 122 -18.002 -0.627 -14.899 1.00 62.21 S ATOM 0 H CYS A 122 -18.512 -1.214 -11.839 1.00 12.11 H new ATOM 0 HA CYS A 122 -20.561 -1.754 -13.857 1.00 63.35 H new ATOM 0 HB2 CYS A 122 -17.647 -2.609 -13.603 1.00 12.24 H new ATOM 0 HB3 CYS A 122 -18.669 -2.925 -14.990 1.00 12.24 H new ATOM 0 HG CYS A 122 -17.455 0.114 -13.982 1.00 62.21 H new ATOM 2000 N SER A 123 -20.276 -3.705 -11.480 1.00 71.24 N ATOM 2001 CA SER A 123 -20.718 -4.966 -10.854 1.00 41.03 C ATOM 2002 C SER A 123 -19.734 -6.125 -11.086 1.00 14.03 C ATOM 2003 O SER A 123 -20.074 -7.288 -10.854 1.00 61.32 O ATOM 2004 CB SER A 123 -22.115 -5.356 -11.369 1.00 22.15 C ATOM 2005 OG SER A 123 -23.063 -4.324 -11.124 1.00 52.32 O ATOM 0 H SER A 123 -20.121 -2.949 -10.812 1.00 71.24 H new ATOM 0 HA SER A 123 -20.755 -4.786 -9.780 1.00 41.03 H new ATOM 0 HB2 SER A 123 -22.066 -5.562 -12.438 1.00 22.15 H new ATOM 0 HB3 SER A 123 -22.441 -6.275 -10.882 1.00 22.15 H new ATOM 0 HG SER A 123 -23.940 -4.599 -11.463 1.00 52.32 H new ATOM 2011 N TRP A 124 -18.510 -5.802 -11.517 1.00 55.20 N ATOM 2012 CA TRP A 124 -17.493 -6.818 -11.841 1.00 73.42 C ATOM 2013 C TRP A 124 -18.017 -7.844 -12.867 1.00 22.11 C ATOM 2014 O TRP A 124 -17.581 -8.996 -12.894 1.00 25.44 O ATOM 2015 CB TRP A 124 -17.020 -7.536 -10.564 1.00 3.32 C ATOM 2016 CG TRP A 124 -16.157 -6.691 -9.669 1.00 54.33 C ATOM 2017 CD1 TRP A 124 -16.571 -5.750 -8.768 1.00 65.24 C ATOM 2018 CD2 TRP A 124 -14.727 -6.723 -9.586 1.00 51.01 C ATOM 2019 NE1 TRP A 124 -15.484 -5.195 -8.135 1.00 31.22 N ATOM 2020 CE2 TRP A 124 -14.343 -5.776 -8.620 1.00 14.13 C ATOM 2021 CE3 TRP A 124 -13.733 -7.462 -10.238 1.00 45.12 C ATOM 2022 CZ2 TRP A 124 -13.010 -5.548 -8.287 1.00 53.54 C ATOM 2023 CZ3 TRP A 124 -12.409 -7.234 -9.907 1.00 60.03 C ATOM 2024 CH2 TRP A 124 -12.059 -6.285 -8.938 1.00 71.12 C ATOM 0 H TRP A 124 -18.195 -4.841 -11.651 1.00 55.20 H new ATOM 0 HA TRP A 124 -16.646 -6.300 -12.291 1.00 73.42 H new ATOM 0 HB2 TRP A 124 -17.893 -7.867 -10.002 1.00 3.32 H new ATOM 0 HB3 TRP A 124 -16.465 -8.430 -10.847 1.00 3.32 H new ATOM 0 HD1 TRP A 124 -17.600 -5.482 -8.581 1.00 65.24 H new ATOM 0 HE1 TRP A 124 -15.521 -4.468 -7.420 1.00 31.22 H new ATOM 0 HE3 TRP A 124 -13.995 -8.196 -10.985 1.00 45.12 H new ATOM 0 HZ2 TRP A 124 -12.737 -4.816 -7.542 1.00 53.54 H new ATOM 0 HZ3 TRP A 124 -11.633 -7.797 -10.404 1.00 60.03 H new ATOM 0 HH2 TRP A 124 -11.017 -6.132 -8.700 1.00 71.12 H new ATOM 2035 N SER A 125 -18.939 -7.409 -13.726 1.00 65.41 N ATOM 2036 CA SER A 125 -19.536 -8.290 -14.740 1.00 21.12 C ATOM 2037 C SER A 125 -18.487 -8.822 -15.733 1.00 65.32 C ATOM 2038 O SER A 125 -17.821 -8.051 -16.427 1.00 31.34 O ATOM 2039 CB SER A 125 -20.651 -7.556 -15.498 1.00 53.34 C ATOM 2040 OG SER A 125 -21.693 -7.159 -14.617 1.00 2.44 O ATOM 0 H SER A 125 -19.291 -6.452 -13.743 1.00 65.41 H new ATOM 0 HA SER A 125 -19.959 -9.146 -14.215 1.00 21.12 H new ATOM 0 HB2 SER A 125 -20.239 -6.679 -15.997 1.00 53.34 H new ATOM 0 HB3 SER A 125 -21.055 -8.205 -16.275 1.00 53.34 H new ATOM 0 HG SER A 125 -22.390 -6.692 -15.124 1.00 2.44 H new ATOM 2046 N LEU A 126 -18.367 -10.149 -15.806 1.00 34.35 N ATOM 2047 CA LEU A 126 -17.379 -10.813 -16.674 1.00 22.33 C ATOM 2048 C LEU A 126 -17.464 -10.332 -18.134 1.00 14.33 C ATOM 2049 O LEU A 126 -16.440 -10.161 -18.799 1.00 44.02 O ATOM 2050 CB LEU A 126 -17.565 -12.340 -16.627 1.00 12.23 C ATOM 2051 CG LEU A 126 -17.121 -13.040 -15.332 1.00 45.32 C ATOM 2052 CD1 LEU A 126 -15.643 -12.784 -15.067 1.00 43.50 C ATOM 2053 CD2 LEU A 126 -17.971 -12.604 -14.144 1.00 41.13 C ATOM 0 H LEU A 126 -18.946 -10.795 -15.270 1.00 34.35 H new ATOM 0 HA LEU A 126 -16.394 -10.546 -16.292 1.00 22.33 H new ATOM 0 HB2 LEU A 126 -18.619 -12.562 -16.792 1.00 12.23 H new ATOM 0 HB3 LEU A 126 -17.014 -12.778 -17.459 1.00 12.23 H new ATOM 0 HG LEU A 126 -17.267 -14.112 -15.463 1.00 45.32 H new ATOM 0 HD11 LEU A 126 -15.346 -13.287 -14.147 1.00 43.50 H new ATOM 0 HD12 LEU A 126 -15.052 -13.169 -15.898 1.00 43.50 H new ATOM 0 HD13 LEU A 126 -15.472 -11.712 -14.966 1.00 43.50 H new ATOM 0 HD21 LEU A 126 -17.630 -13.118 -13.245 1.00 41.13 H new ATOM 0 HD22 LEU A 126 -17.876 -11.527 -14.005 1.00 41.13 H new ATOM 0 HD23 LEU A 126 -19.015 -12.855 -14.332 1.00 41.13 H new ATOM 2065 N ASN A 127 -18.683 -10.109 -18.618 1.00 72.04 N ATOM 2066 CA ASN A 127 -18.906 -9.630 -19.990 1.00 23.53 C ATOM 2067 C ASN A 127 -18.138 -8.324 -20.269 1.00 2.12 C ATOM 2068 O ASN A 127 -17.724 -8.062 -21.398 1.00 23.43 O ATOM 2069 CB ASN A 127 -20.402 -9.404 -20.219 1.00 21.05 C ATOM 2070 CG ASN A 127 -21.227 -10.645 -19.920 1.00 44.32 C ATOM 2071 OD1 ASN A 127 -20.789 -11.768 -20.142 1.00 55.53 O ATOM 2072 ND2 ASN A 127 -22.421 -10.453 -19.398 1.00 15.33 N ATOM 0 H ASN A 127 -19.539 -10.252 -18.082 1.00 72.04 H new ATOM 0 HA ASN A 127 -18.534 -10.392 -20.675 1.00 23.53 H new ATOM 0 HB2 ASN A 127 -20.744 -8.583 -19.588 1.00 21.05 H new ATOM 0 HB3 ASN A 127 -20.567 -9.102 -21.253 1.00 21.05 H new ATOM 0 HD21 ASN A 127 -23.011 -11.252 -19.166 1.00 15.33 H new ATOM 0 HD22 ASN A 127 -22.756 -9.505 -19.226 1.00 15.33 H new ATOM 2079 N ILE A 128 -17.949 -7.518 -19.226 1.00 54.54 N ATOM 2080 CA ILE A 128 -17.276 -6.218 -19.347 1.00 32.13 C ATOM 2081 C ILE A 128 -15.769 -6.323 -19.029 1.00 31.52 C ATOM 2082 O ILE A 128 -14.971 -5.495 -19.466 1.00 52.02 O ATOM 2083 CB ILE A 128 -17.932 -5.184 -18.390 1.00 42.44 C ATOM 2084 CG1 ILE A 128 -19.461 -5.185 -18.576 1.00 14.45 C ATOM 2085 CG2 ILE A 128 -17.363 -3.785 -18.625 1.00 71.22 C ATOM 2086 CD1 ILE A 128 -20.209 -4.299 -17.598 1.00 4.40 C ATOM 0 H ILE A 128 -18.254 -7.741 -18.279 1.00 54.54 H new ATOM 0 HA ILE A 128 -17.386 -5.889 -20.380 1.00 32.13 H new ATOM 0 HB ILE A 128 -17.703 -5.471 -17.364 1.00 42.44 H new ATOM 0 HG12 ILE A 128 -19.692 -4.862 -19.591 1.00 14.45 H new ATOM 0 HG13 ILE A 128 -19.827 -6.207 -18.476 1.00 14.45 H new ATOM 0 HG21 ILE A 128 -17.838 -3.080 -17.943 1.00 71.22 H new ATOM 0 HG22 ILE A 128 -16.288 -3.795 -18.446 1.00 71.22 H new ATOM 0 HG23 ILE A 128 -17.557 -3.482 -19.654 1.00 71.22 H new ATOM 0 HD11 ILE A 128 -21.279 -4.358 -17.798 1.00 4.40 H new ATOM 0 HD12 ILE A 128 -20.012 -4.634 -16.580 1.00 4.40 H new ATOM 0 HD13 ILE A 128 -19.875 -3.268 -17.712 1.00 4.40 H new ATOM 2098 N LEU A 129 -15.387 -7.350 -18.268 1.00 21.42 N ATOM 2099 CA LEU A 129 -13.988 -7.520 -17.834 1.00 51.45 C ATOM 2100 C LEU A 129 -13.246 -8.595 -18.652 1.00 44.40 C ATOM 2101 O LEU A 129 -12.257 -8.306 -19.323 1.00 2.45 O ATOM 2102 CB LEU A 129 -13.945 -7.892 -16.344 1.00 13.21 C ATOM 2103 CG LEU A 129 -14.603 -6.877 -15.393 1.00 41.32 C ATOM 2104 CD1 LEU A 129 -14.493 -7.349 -13.946 1.00 3.41 C ATOM 2105 CD2 LEU A 129 -13.978 -5.494 -15.564 1.00 41.11 C ATOM 0 H LEU A 129 -16.020 -8.078 -17.937 1.00 21.42 H new ATOM 0 HA LEU A 129 -13.481 -6.569 -18.001 1.00 51.45 H new ATOM 0 HB2 LEU A 129 -14.434 -8.857 -16.213 1.00 13.21 H new ATOM 0 HB3 LEU A 129 -12.904 -8.020 -16.048 1.00 13.21 H new ATOM 0 HG LEU A 129 -15.660 -6.803 -15.647 1.00 41.32 H new ATOM 0 HD11 LEU A 129 -14.964 -6.618 -13.288 1.00 3.41 H new ATOM 0 HD12 LEU A 129 -14.994 -8.311 -13.838 1.00 3.41 H new ATOM 0 HD13 LEU A 129 -13.442 -7.455 -13.677 1.00 3.41 H new ATOM 0 HD21 LEU A 129 -14.457 -4.791 -14.883 1.00 41.11 H new ATOM 0 HD22 LEU A 129 -12.912 -5.546 -15.341 1.00 41.11 H new ATOM 0 HD23 LEU A 129 -14.117 -5.156 -16.591 1.00 41.11 H new ATOM 2117 N ALA A 130 -13.733 -9.832 -18.589 1.00 43.42 N ATOM 2118 CA ALA A 130 -13.058 -10.968 -19.230 1.00 10.15 C ATOM 2119 C ALA A 130 -13.267 -10.984 -20.753 1.00 62.42 C ATOM 2120 O ALA A 130 -12.430 -11.491 -21.502 1.00 25.13 O ATOM 2121 CB ALA A 130 -13.546 -12.274 -18.614 1.00 70.41 C ATOM 0 H ALA A 130 -14.594 -10.078 -18.101 1.00 43.42 H new ATOM 0 HA ALA A 130 -11.988 -10.858 -19.055 1.00 10.15 H new ATOM 0 HB1 ALA A 130 -13.042 -13.113 -19.093 1.00 70.41 H new ATOM 0 HB2 ALA A 130 -13.323 -12.279 -17.547 1.00 70.41 H new ATOM 0 HB3 ALA A 130 -14.622 -12.366 -18.760 1.00 70.41 H new ATOM 2272 N ASP A 140 -8.926 -1.337 -16.873 1.00 11.23 N ATOM 2273 CA ASP A 140 -8.505 -0.912 -15.536 1.00 62.14 C ATOM 2274 C ASP A 140 -8.248 -2.110 -14.603 1.00 1.35 C ATOM 2275 O ASP A 140 -7.620 -1.963 -13.553 1.00 70.44 O ATOM 2276 CB ASP A 140 -9.567 -0.003 -14.924 1.00 71.21 C ATOM 2277 CG ASP A 140 -9.787 1.252 -15.743 1.00 20.22 C ATOM 2278 OD1 ASP A 140 -10.547 1.198 -16.735 1.00 33.34 O ATOM 2279 OD2 ASP A 140 -9.207 2.303 -15.396 1.00 23.00 O ATOM 0 HA ASP A 140 -7.566 -0.369 -15.644 1.00 62.14 H new ATOM 0 HB2 ASP A 140 -10.506 -0.550 -14.841 1.00 71.21 H new ATOM 0 HB3 ASP A 140 -9.268 0.273 -13.913 1.00 71.21 H new ATOM 2284 N LEU A 141 -8.731 -3.287 -14.993 1.00 32.41 N ATOM 2285 CA LEU A 141 -8.544 -4.506 -14.198 1.00 24.20 C ATOM 2286 C LEU A 141 -7.053 -4.865 -14.085 1.00 2.41 C ATOM 2287 O LEU A 141 -6.508 -4.979 -12.984 1.00 1.44 O ATOM 2288 CB LEU A 141 -9.325 -5.666 -14.834 1.00 33.50 C ATOM 2289 CG LEU A 141 -9.236 -7.013 -14.094 1.00 74.11 C ATOM 2290 CD1 LEU A 141 -9.827 -6.903 -12.689 1.00 70.44 C ATOM 2291 CD2 LEU A 141 -9.934 -8.111 -14.896 1.00 23.32 C ATOM 0 H LEU A 141 -9.256 -3.426 -15.856 1.00 32.41 H new ATOM 0 HA LEU A 141 -8.924 -4.326 -13.192 1.00 24.20 H new ATOM 0 HB2 LEU A 141 -10.374 -5.379 -14.904 1.00 33.50 H new ATOM 0 HB3 LEU A 141 -8.965 -5.807 -15.853 1.00 33.50 H new ATOM 0 HG LEU A 141 -8.184 -7.280 -13.994 1.00 74.11 H new ATOM 0 HD11 LEU A 141 -9.752 -7.867 -12.186 1.00 70.44 H new ATOM 0 HD12 LEU A 141 -9.276 -6.154 -12.120 1.00 70.44 H new ATOM 0 HD13 LEU A 141 -10.874 -6.609 -12.757 1.00 70.44 H new ATOM 0 HD21 LEU A 141 -9.861 -9.056 -14.358 1.00 23.32 H new ATOM 0 HD22 LEU A 141 -10.984 -7.851 -15.032 1.00 23.32 H new ATOM 0 HD23 LEU A 141 -9.455 -8.210 -15.870 1.00 23.32 H new ATOM 2303 N ASP A 142 -6.395 -5.029 -15.231 1.00 50.01 N ATOM 2304 CA ASP A 142 -4.954 -5.286 -15.266 1.00 71.45 C ATOM 2305 C ASP A 142 -4.174 -4.067 -14.745 1.00 11.31 C ATOM 2306 O ASP A 142 -3.104 -4.207 -14.150 1.00 73.00 O ATOM 2307 CB ASP A 142 -4.521 -5.638 -16.694 1.00 10.23 C ATOM 2308 CG ASP A 142 -3.056 -6.032 -16.781 1.00 1.15 C ATOM 2309 OD1 ASP A 142 -2.714 -7.162 -16.368 1.00 65.51 O ATOM 2310 OD2 ASP A 142 -2.241 -5.224 -17.270 1.00 5.21 O ATOM 0 H ASP A 142 -6.836 -4.989 -16.150 1.00 50.01 H new ATOM 0 HA ASP A 142 -4.731 -6.131 -14.615 1.00 71.45 H new ATOM 0 HB2 ASP A 142 -5.136 -6.458 -17.064 1.00 10.23 H new ATOM 0 HB3 ASP A 142 -4.703 -4.783 -17.346 1.00 10.23 H new ATOM 2315 N ARG A 143 -4.737 -2.870 -14.953 1.00 23.54 N ATOM 2316 CA ARG A 143 -4.140 -1.627 -14.446 1.00 12.13 C ATOM 2317 C ARG A 143 -4.002 -1.665 -12.916 1.00 71.41 C ATOM 2318 O ARG A 143 -2.973 -1.271 -12.365 1.00 52.02 O ATOM 2319 CB ARG A 143 -4.979 -0.414 -14.874 1.00 23.33 C ATOM 2320 CG ARG A 143 -4.525 0.910 -14.261 1.00 11.15 C ATOM 2321 CD ARG A 143 -5.294 2.093 -14.841 1.00 50.51 C ATOM 2322 NE ARG A 143 -4.970 2.319 -16.249 1.00 34.30 N ATOM 2323 CZ ARG A 143 -5.801 2.817 -17.130 1.00 63.11 C ATOM 2324 NH1 ARG A 143 -7.035 3.063 -16.821 1.00 73.35 N ATOM 2325 NH2 ARG A 143 -5.399 3.046 -18.334 1.00 52.15 N ATOM 0 H ARG A 143 -5.606 -2.736 -15.470 1.00 23.54 H new ATOM 0 HA ARG A 143 -3.143 -1.533 -14.876 1.00 12.13 H new ATOM 0 HB2 ARG A 143 -4.946 -0.329 -15.960 1.00 23.33 H new ATOM 0 HB3 ARG A 143 -6.019 -0.591 -14.600 1.00 23.33 H new ATOM 0 HG2 ARG A 143 -4.666 0.878 -13.181 1.00 11.15 H new ATOM 0 HG3 ARG A 143 -3.458 1.047 -14.439 1.00 11.15 H new ATOM 0 HD2 ARG A 143 -6.364 1.915 -14.739 1.00 50.51 H new ATOM 0 HD3 ARG A 143 -5.065 2.991 -14.267 1.00 50.51 H new ATOM 0 HE ARG A 143 -4.033 2.072 -16.567 1.00 34.30 H new ATOM 0 HH11 ARG A 143 -7.373 2.869 -15.879 1.00 73.35 H new ATOM 0 HH12 ARG A 143 -7.668 3.451 -17.520 1.00 73.35 H new ATOM 0 HH21 ARG A 143 -4.436 2.839 -18.598 1.00 52.15 H new ATOM 0 HH22 ARG A 143 -6.044 3.434 -19.022 1.00 52.15 H new ATOM 2339 N PHE A 144 -5.045 -2.142 -12.236 1.00 63.10 N ATOM 2340 CA PHE A 144 -4.994 -2.334 -10.782 1.00 40.53 C ATOM 2341 C PHE A 144 -3.851 -3.291 -10.404 1.00 3.12 C ATOM 2342 O PHE A 144 -3.036 -2.993 -9.534 1.00 61.34 O ATOM 2343 CB PHE A 144 -6.334 -2.892 -10.270 1.00 25.13 C ATOM 2344 CG PHE A 144 -6.382 -3.100 -8.773 1.00 61.24 C ATOM 2345 CD1 PHE A 144 -5.960 -4.297 -8.205 1.00 74.10 C ATOM 2346 CD2 PHE A 144 -6.851 -2.098 -7.934 1.00 23.43 C ATOM 2347 CE1 PHE A 144 -6.002 -4.483 -6.836 1.00 34.23 C ATOM 2348 CE2 PHE A 144 -6.895 -2.281 -6.565 1.00 42.42 C ATOM 2349 CZ PHE A 144 -6.469 -3.475 -6.016 1.00 52.12 C ATOM 0 H PHE A 144 -5.933 -2.402 -12.664 1.00 63.10 H new ATOM 0 HA PHE A 144 -4.810 -1.366 -10.315 1.00 40.53 H new ATOM 0 HB2 PHE A 144 -7.134 -2.209 -10.557 1.00 25.13 H new ATOM 0 HB3 PHE A 144 -6.533 -3.842 -10.765 1.00 25.13 H new ATOM 0 HD1 PHE A 144 -5.595 -5.090 -8.841 1.00 74.10 H new ATOM 0 HD2 PHE A 144 -7.186 -1.163 -8.357 1.00 23.43 H new ATOM 0 HE1 PHE A 144 -5.669 -5.417 -6.408 1.00 34.23 H new ATOM 0 HE2 PHE A 144 -7.262 -1.492 -5.925 1.00 42.42 H new ATOM 0 HZ PHE A 144 -6.501 -3.620 -4.946 1.00 52.12 H new ATOM 2359 N VAL A 145 -3.799 -4.434 -11.085 1.00 44.12 N ATOM 2360 CA VAL A 145 -2.812 -5.480 -10.793 1.00 51.13 C ATOM 2361 C VAL A 145 -1.360 -5.008 -11.008 1.00 74.34 C ATOM 2362 O VAL A 145 -0.520 -5.135 -10.111 1.00 33.04 O ATOM 2363 CB VAL A 145 -3.068 -6.739 -11.655 1.00 72.41 C ATOM 2364 CG1 VAL A 145 -2.068 -7.840 -11.317 1.00 30.02 C ATOM 2365 CG2 VAL A 145 -4.504 -7.232 -11.473 1.00 64.01 C ATOM 0 H VAL A 145 -4.433 -4.664 -11.850 1.00 44.12 H new ATOM 0 HA VAL A 145 -2.934 -5.722 -9.737 1.00 51.13 H new ATOM 0 HB VAL A 145 -2.930 -6.470 -12.702 1.00 72.41 H new ATOM 0 HG11 VAL A 145 -2.268 -8.715 -11.935 1.00 30.02 H new ATOM 0 HG12 VAL A 145 -1.056 -7.484 -11.508 1.00 30.02 H new ATOM 0 HG13 VAL A 145 -2.165 -8.109 -10.265 1.00 30.02 H new ATOM 0 HG21 VAL A 145 -4.665 -8.118 -12.087 1.00 64.01 H new ATOM 0 HG22 VAL A 145 -4.673 -7.481 -10.425 1.00 64.01 H new ATOM 0 HG23 VAL A 145 -5.199 -6.449 -11.777 1.00 64.01 H new ATOM 2375 N MET A 146 -1.065 -4.468 -12.197 1.00 42.12 N ATOM 2376 CA MET A 146 0.300 -4.030 -12.538 1.00 30.35 C ATOM 2377 C MET A 146 0.850 -3.015 -11.521 1.00 23.34 C ATOM 2378 O MET A 146 2.043 -3.013 -11.215 1.00 35.23 O ATOM 2379 CB MET A 146 0.351 -3.431 -13.954 1.00 5.14 C ATOM 2380 CG MET A 146 -0.552 -2.221 -14.155 1.00 13.33 C ATOM 2381 SD MET A 146 -0.278 -1.395 -15.738 1.00 62.04 S ATOM 2382 CE MET A 146 1.370 -0.734 -15.491 1.00 14.03 C ATOM 0 H MET A 146 -1.749 -4.323 -12.939 1.00 42.12 H new ATOM 0 HA MET A 146 0.932 -4.917 -12.505 1.00 30.35 H new ATOM 0 HB2 MET A 146 1.378 -3.144 -14.178 1.00 5.14 H new ATOM 0 HB3 MET A 146 0.072 -4.202 -14.672 1.00 5.14 H new ATOM 0 HG2 MET A 146 -1.593 -2.536 -14.091 1.00 13.33 H new ATOM 0 HG3 MET A 146 -0.384 -1.510 -13.346 1.00 13.33 H new ATOM 0 HE1 MET A 146 1.533 0.101 -16.173 1.00 14.03 H new ATOM 0 HE2 MET A 146 1.473 -0.388 -14.463 1.00 14.03 H new ATOM 0 HE3 MET A 146 2.107 -1.512 -15.687 1.00 14.03 H new ATOM 2392 N VAL A 147 -0.023 -2.159 -10.998 1.00 65.40 N ATOM 2393 CA VAL A 147 0.372 -1.183 -9.980 1.00 33.13 C ATOM 2394 C VAL A 147 0.455 -1.831 -8.587 1.00 51.42 C ATOM 2395 O VAL A 147 1.458 -1.696 -7.887 1.00 75.24 O ATOM 2396 CB VAL A 147 -0.613 0.013 -9.936 1.00 75.21 C ATOM 2397 CG1 VAL A 147 -0.199 1.028 -8.870 1.00 14.20 C ATOM 2398 CG2 VAL A 147 -0.714 0.674 -11.311 1.00 4.55 C ATOM 0 H VAL A 147 -1.008 -2.119 -11.260 1.00 65.40 H new ATOM 0 HA VAL A 147 1.360 -0.816 -10.257 1.00 33.13 H new ATOM 0 HB VAL A 147 -1.598 -0.367 -9.666 1.00 75.21 H new ATOM 0 HG11 VAL A 147 -0.908 1.856 -8.861 1.00 14.20 H new ATOM 0 HG12 VAL A 147 -0.192 0.546 -7.892 1.00 14.20 H new ATOM 0 HG13 VAL A 147 0.798 1.406 -9.095 1.00 14.20 H new ATOM 0 HG21 VAL A 147 -1.410 1.512 -11.262 1.00 4.55 H new ATOM 0 HG22 VAL A 147 0.269 1.036 -11.614 1.00 4.55 H new ATOM 0 HG23 VAL A 147 -1.073 -0.054 -12.039 1.00 4.55 H new ATOM 2408 N ALA A 148 -0.593 -2.557 -8.205 1.00 63.02 N ATOM 2409 CA ALA A 148 -0.666 -3.189 -6.878 1.00 4.50 C ATOM 2410 C ALA A 148 0.566 -4.059 -6.568 1.00 72.34 C ATOM 2411 O ALA A 148 1.051 -4.077 -5.438 1.00 15.21 O ATOM 2412 CB ALA A 148 -1.940 -4.021 -6.764 1.00 11.34 C ATOM 0 H ALA A 148 -1.409 -2.726 -8.793 1.00 63.02 H new ATOM 0 HA ALA A 148 -0.683 -2.387 -6.141 1.00 4.50 H new ATOM 0 HB1 ALA A 148 -1.985 -4.485 -5.779 1.00 11.34 H new ATOM 0 HB2 ALA A 148 -2.809 -3.377 -6.902 1.00 11.34 H new ATOM 0 HB3 ALA A 148 -1.938 -4.796 -7.530 1.00 11.34 H new ATOM 2418 N LYS A 149 1.079 -4.766 -7.577 1.00 74.01 N ATOM 2419 CA LYS A 149 2.220 -5.674 -7.382 1.00 3.21 C ATOM 2420 C LYS A 149 3.545 -4.921 -7.135 1.00 12.45 C ATOM 2421 O LYS A 149 4.478 -5.481 -6.558 1.00 32.02 O ATOM 2422 CB LYS A 149 2.374 -6.620 -8.582 1.00 13.13 C ATOM 2423 CG LYS A 149 2.679 -5.913 -9.898 1.00 31.13 C ATOM 2424 CD LYS A 149 2.916 -6.903 -11.038 1.00 75.25 C ATOM 2425 CE LYS A 149 1.691 -7.766 -11.313 1.00 54.32 C ATOM 2426 NZ LYS A 149 1.928 -8.728 -12.417 1.00 15.31 N ATOM 0 H LYS A 149 0.727 -4.731 -8.534 1.00 74.01 H new ATOM 0 HA LYS A 149 2.003 -6.255 -6.486 1.00 3.21 H new ATOM 0 HB2 LYS A 149 3.173 -7.331 -8.370 1.00 13.13 H new ATOM 0 HB3 LYS A 149 1.456 -7.197 -8.696 1.00 13.13 H new ATOM 0 HG2 LYS A 149 1.850 -5.254 -10.156 1.00 31.13 H new ATOM 0 HG3 LYS A 149 3.560 -5.283 -9.776 1.00 31.13 H new ATOM 0 HD2 LYS A 149 3.184 -6.356 -11.942 1.00 75.25 H new ATOM 0 HD3 LYS A 149 3.762 -7.544 -10.791 1.00 75.25 H new ATOM 0 HE2 LYS A 149 1.421 -8.311 -10.409 1.00 54.32 H new ATOM 0 HE3 LYS A 149 0.845 -7.126 -11.565 1.00 54.32 H new ATOM 0 HZ1 LYS A 149 1.071 -9.296 -12.573 1.00 15.31 H new ATOM 0 HZ2 LYS A 149 2.161 -8.208 -13.287 1.00 15.31 H new ATOM 0 HZ3 LYS A 149 2.718 -9.356 -12.167 1.00 15.31 H new ATOM 2440 N THR A 150 3.640 -3.661 -7.572 1.00 61.24 N ATOM 2441 CA THR A 150 4.872 -2.872 -7.358 1.00 41.21 C ATOM 2442 C THR A 150 4.773 -1.992 -6.102 1.00 43.41 C ATOM 2443 O THR A 150 5.789 -1.524 -5.584 1.00 53.54 O ATOM 2444 CB THR A 150 5.231 -1.979 -8.577 1.00 24.42 C ATOM 2445 OG1 THR A 150 6.506 -1.342 -8.370 1.00 50.32 O ATOM 2446 CG2 THR A 150 4.173 -0.912 -8.829 1.00 41.33 C ATOM 0 H THR A 150 2.898 -3.167 -8.067 1.00 61.24 H new ATOM 0 HA THR A 150 5.668 -3.605 -7.224 1.00 41.21 H new ATOM 0 HB THR A 150 5.277 -2.629 -9.451 1.00 24.42 H new ATOM 0 HG1 THR A 150 6.396 -0.578 -7.766 1.00 50.32 H new ATOM 0 HG21 THR A 150 4.462 -0.309 -9.690 1.00 41.33 H new ATOM 0 HG22 THR A 150 3.214 -1.390 -9.027 1.00 41.33 H new ATOM 0 HG23 THR A 150 4.085 -0.272 -7.951 1.00 41.33 H new ATOM 2454 N VAL A 151 3.549 -1.786 -5.603 1.00 22.34 N ATOM 2455 CA VAL A 151 3.321 -0.974 -4.394 1.00 52.51 C ATOM 2456 C VAL A 151 4.207 -1.413 -3.206 1.00 44.14 C ATOM 2457 O VAL A 151 4.841 -0.568 -2.574 1.00 75.53 O ATOM 2458 CB VAL A 151 1.830 -0.992 -3.957 1.00 63.13 C ATOM 2459 CG1 VAL A 151 1.631 -0.205 -2.662 1.00 12.40 C ATOM 2460 CG2 VAL A 151 0.936 -0.442 -5.063 1.00 50.44 C ATOM 0 H VAL A 151 2.698 -2.169 -6.015 1.00 22.34 H new ATOM 0 HA VAL A 151 3.599 0.043 -4.670 1.00 52.51 H new ATOM 0 HB VAL A 151 1.546 -2.028 -3.771 1.00 63.13 H new ATOM 0 HG11 VAL A 151 0.579 -0.233 -2.377 1.00 12.40 H new ATOM 0 HG12 VAL A 151 2.233 -0.650 -1.870 1.00 12.40 H new ATOM 0 HG13 VAL A 151 1.939 0.830 -2.814 1.00 12.40 H new ATOM 0 HG21 VAL A 151 -0.103 -0.464 -4.735 1.00 50.44 H new ATOM 0 HG22 VAL A 151 1.224 0.585 -5.287 1.00 50.44 H new ATOM 0 HG23 VAL A 151 1.047 -1.053 -5.959 1.00 50.44 H new ATOM 2470 N PRO A 152 4.270 -2.729 -2.872 1.00 13.32 N ATOM 2471 CA PRO A 152 5.144 -3.222 -1.787 1.00 25.44 C ATOM 2472 C PRO A 152 6.616 -2.806 -1.960 1.00 62.04 C ATOM 2473 O PRO A 152 7.325 -2.583 -0.979 1.00 62.54 O ATOM 2474 CB PRO A 152 5.004 -4.747 -1.879 1.00 74.32 C ATOM 2475 CG PRO A 152 3.677 -4.969 -2.519 1.00 43.21 C ATOM 2476 CD PRO A 152 3.498 -3.831 -3.488 1.00 0.10 C ATOM 0 HA PRO A 152 4.853 -2.807 -0.822 1.00 25.44 H new ATOM 0 HB2 PRO A 152 5.807 -5.183 -2.473 1.00 74.32 H new ATOM 0 HB3 PRO A 152 5.050 -5.209 -0.893 1.00 74.32 H new ATOM 0 HG2 PRO A 152 3.646 -5.930 -3.033 1.00 43.21 H new ATOM 0 HG3 PRO A 152 2.880 -4.979 -1.775 1.00 43.21 H new ATOM 0 HD2 PRO A 152 3.878 -4.083 -4.478 1.00 0.10 H new ATOM 0 HD3 PRO A 152 2.447 -3.567 -3.608 1.00 0.10 H new ATOM 2484 N ASP A 153 7.061 -2.690 -3.211 1.00 51.32 N ATOM 2485 CA ASP A 153 8.449 -2.324 -3.507 1.00 23.14 C ATOM 2486 C ASP A 153 8.686 -0.816 -3.316 1.00 40.43 C ATOM 2487 O ASP A 153 9.644 -0.405 -2.657 1.00 42.31 O ATOM 2488 CB ASP A 153 8.805 -2.748 -4.933 1.00 44.24 C ATOM 2489 CG ASP A 153 10.239 -2.414 -5.294 1.00 33.33 C ATOM 2490 OD1 ASP A 153 11.161 -3.019 -4.709 1.00 34.25 O ATOM 2491 OD2 ASP A 153 10.455 -1.541 -6.158 1.00 2.31 O ATOM 0 H ASP A 153 6.482 -2.844 -4.037 1.00 51.32 H new ATOM 0 HA ASP A 153 9.097 -2.849 -2.805 1.00 23.14 H new ATOM 0 HB2 ASP A 153 8.647 -3.821 -5.040 1.00 44.24 H new ATOM 0 HB3 ASP A 153 8.132 -2.255 -5.635 1.00 44.24 H new ATOM 2496 N ASP A 154 7.814 0.006 -3.903 1.00 41.23 N ATOM 2497 CA ASP A 154 7.870 1.458 -3.702 1.00 32.33 C ATOM 2498 C ASP A 154 7.695 1.809 -2.213 1.00 2.23 C ATOM 2499 O ASP A 154 8.324 2.736 -1.703 1.00 53.13 O ATOM 2500 CB ASP A 154 6.800 2.155 -4.551 1.00 63.15 C ATOM 2501 CG ASP A 154 7.092 2.047 -6.041 1.00 3.21 C ATOM 2502 OD1 ASP A 154 6.774 1.001 -6.644 1.00 43.23 O ATOM 2503 OD2 ASP A 154 7.657 3.002 -6.619 1.00 53.53 O ATOM 0 H ASP A 154 7.063 -0.306 -4.519 1.00 41.23 H new ATOM 0 HA ASP A 154 8.850 1.813 -4.021 1.00 32.33 H new ATOM 0 HB2 ASP A 154 5.826 1.714 -4.340 1.00 63.15 H new ATOM 0 HB3 ASP A 154 6.742 3.206 -4.269 1.00 63.15 H new ATOM 2508 N ALA A 155 6.845 1.049 -1.524 1.00 64.42 N ATOM 2509 CA ALA A 155 6.671 1.191 -0.074 1.00 34.35 C ATOM 2510 C ALA A 155 7.928 0.735 0.681 1.00 61.42 C ATOM 2511 O ALA A 155 8.345 1.365 1.648 1.00 74.32 O ATOM 2512 CB ALA A 155 5.456 0.395 0.389 1.00 74.14 C ATOM 0 H ALA A 155 6.263 0.325 -1.946 1.00 64.42 H new ATOM 0 HA ALA A 155 6.510 2.246 0.148 1.00 34.35 H new ATOM 0 HB1 ALA A 155 5.336 0.508 1.467 1.00 74.14 H new ATOM 0 HB2 ALA A 155 4.564 0.766 -0.116 1.00 74.14 H new ATOM 0 HB3 ALA A 155 5.598 -0.658 0.148 1.00 74.14 H new ATOM 2518 N LYS A 156 8.532 -0.358 0.218 1.00 70.53 N ATOM 2519 CA LYS A 156 9.771 -0.884 0.804 1.00 22.32 C ATOM 2520 C LYS A 156 10.875 0.191 0.853 1.00 22.23 C ATOM 2521 O LYS A 156 11.734 0.176 1.737 1.00 1.02 O ATOM 2522 CB LYS A 156 10.219 -2.118 0.005 1.00 64.42 C ATOM 2523 CG LYS A 156 11.550 -2.728 0.442 1.00 2.30 C ATOM 2524 CD LYS A 156 11.659 -4.201 0.033 1.00 71.41 C ATOM 2525 CE LYS A 156 11.331 -4.435 -1.444 1.00 63.54 C ATOM 2526 NZ LYS A 156 12.345 -3.845 -2.353 1.00 62.03 N ATOM 0 H LYS A 156 8.182 -0.904 -0.569 1.00 70.53 H new ATOM 0 HA LYS A 156 9.581 -1.178 1.836 1.00 22.32 H new ATOM 0 HB2 LYS A 156 9.445 -2.882 0.082 1.00 64.42 H new ATOM 0 HB3 LYS A 156 10.292 -1.843 -1.047 1.00 64.42 H new ATOM 0 HG2 LYS A 156 12.371 -2.165 -0.002 1.00 2.30 H new ATOM 0 HG3 LYS A 156 11.652 -2.642 1.524 1.00 2.30 H new ATOM 0 HD2 LYS A 156 12.670 -4.555 0.236 1.00 71.41 H new ATOM 0 HD3 LYS A 156 10.983 -4.795 0.649 1.00 71.41 H new ATOM 0 HE2 LYS A 156 11.260 -5.506 -1.631 1.00 63.54 H new ATOM 0 HE3 LYS A 156 10.354 -4.006 -1.668 1.00 63.54 H new ATOM 0 HZ1 LYS A 156 11.950 -3.772 -3.312 1.00 62.03 H new ATOM 0 HZ2 LYS A 156 12.607 -2.898 -2.013 1.00 62.03 H new ATOM 0 HZ3 LYS A 156 13.189 -4.452 -2.372 1.00 62.03 H new ATOM 2540 N GLN A 157 10.828 1.133 -0.092 1.00 14.02 N ATOM 2541 CA GLN A 157 11.722 2.300 -0.079 1.00 22.23 C ATOM 2542 C GLN A 157 11.511 3.134 1.196 1.00 12.13 C ATOM 2543 O GLN A 157 12.470 3.514 1.877 1.00 32.33 O ATOM 2544 CB GLN A 157 11.470 3.166 -1.323 1.00 61.15 C ATOM 2545 CG GLN A 157 11.740 2.446 -2.641 1.00 54.02 C ATOM 2546 CD GLN A 157 13.219 2.181 -2.871 1.00 73.23 C ATOM 2547 OE1 GLN A 157 13.920 2.980 -3.480 1.00 30.32 O ATOM 2548 NE2 GLN A 157 13.710 1.059 -2.383 1.00 24.22 N ATOM 0 H GLN A 157 10.180 1.113 -0.879 1.00 14.02 H new ATOM 0 HA GLN A 157 12.753 1.946 -0.091 1.00 22.23 H new ATOM 0 HB2 GLN A 157 10.435 3.508 -1.312 1.00 61.15 H new ATOM 0 HB3 GLN A 157 12.100 4.054 -1.269 1.00 61.15 H new ATOM 0 HG2 GLN A 157 11.199 1.500 -2.651 1.00 54.02 H new ATOM 0 HG3 GLN A 157 11.350 3.045 -3.464 1.00 54.02 H new ATOM 0 HE21 GLN A 157 13.102 0.412 -1.880 1.00 24.22 H new ATOM 0 HE22 GLN A 157 14.698 0.837 -2.508 1.00 24.22 H new ATOM 2557 N LEU A 158 10.245 3.406 1.517 1.00 72.41 N ATOM 2558 CA LEU A 158 9.892 4.131 2.742 1.00 60.12 C ATOM 2559 C LEU A 158 10.238 3.301 3.981 1.00 32.41 C ATOM 2560 O LEU A 158 10.853 3.802 4.920 1.00 12.04 O ATOM 2561 CB LEU A 158 8.392 4.491 2.768 1.00 60.21 C ATOM 2562 CG LEU A 158 7.941 5.591 1.793 1.00 33.13 C ATOM 2563 CD1 LEU A 158 8.707 6.885 2.047 1.00 24.50 C ATOM 2564 CD2 LEU A 158 8.100 5.142 0.343 1.00 43.15 C ATOM 0 H LEU A 158 9.445 3.135 0.945 1.00 72.41 H new ATOM 0 HA LEU A 158 10.473 5.053 2.752 1.00 60.12 H new ATOM 0 HB2 LEU A 158 7.819 3.588 2.555 1.00 60.21 H new ATOM 0 HB3 LEU A 158 8.132 4.802 3.780 1.00 60.21 H new ATOM 0 HG LEU A 158 6.882 5.781 1.969 1.00 33.13 H new ATOM 0 HD11 LEU A 158 8.372 7.650 1.346 1.00 24.50 H new ATOM 0 HD12 LEU A 158 8.523 7.222 3.067 1.00 24.50 H new ATOM 0 HD13 LEU A 158 9.774 6.709 1.910 1.00 24.50 H new ATOM 0 HD21 LEU A 158 7.773 5.941 -0.323 1.00 43.15 H new ATOM 0 HD22 LEU A 158 9.147 4.911 0.146 1.00 43.15 H new ATOM 0 HD23 LEU A 158 7.494 4.253 0.169 1.00 43.15 H new ATOM 2576 N THR A 159 9.840 2.033 3.965 1.00 14.12 N ATOM 2577 CA THR A 159 10.112 1.105 5.067 1.00 74.22 C ATOM 2578 C THR A 159 11.580 1.161 5.517 1.00 2.13 C ATOM 2579 O THR A 159 11.871 1.409 6.688 1.00 22.41 O ATOM 2580 CB THR A 159 9.754 -0.349 4.672 1.00 61.24 C ATOM 2581 OG1 THR A 159 8.383 -0.412 4.255 1.00 11.25 O ATOM 2582 CG2 THR A 159 9.974 -1.313 5.833 1.00 55.22 C ATOM 0 H THR A 159 9.321 1.617 3.192 1.00 14.12 H new ATOM 0 HA THR A 159 9.483 1.419 5.900 1.00 74.22 H new ATOM 0 HB THR A 159 10.409 -0.646 3.853 1.00 61.24 H new ATOM 0 HG1 THR A 159 8.239 -1.224 3.726 1.00 11.25 H new ATOM 0 HG21 THR A 159 9.713 -2.324 5.521 1.00 55.22 H new ATOM 0 HG22 THR A 159 11.021 -1.285 6.135 1.00 55.22 H new ATOM 0 HG23 THR A 159 9.346 -1.019 6.674 1.00 55.22 H new ATOM 2590 N THR A 160 12.504 0.966 4.582 1.00 14.51 N ATOM 2591 CA THR A 160 13.934 0.971 4.911 1.00 33.32 C ATOM 2592 C THR A 160 14.400 2.362 5.374 1.00 74.10 C ATOM 2593 O THR A 160 15.104 2.489 6.379 1.00 64.25 O ATOM 2594 CB THR A 160 14.800 0.523 3.710 1.00 12.50 C ATOM 2595 OG1 THR A 160 14.368 -0.764 3.233 1.00 64.22 O ATOM 2596 CG2 THR A 160 16.278 0.458 4.093 1.00 74.44 C ATOM 0 H THR A 160 12.296 0.803 3.597 1.00 14.51 H new ATOM 0 HA THR A 160 14.064 0.259 5.726 1.00 33.32 H new ATOM 0 HB THR A 160 14.678 1.261 2.917 1.00 12.50 H new ATOM 0 HG1 THR A 160 13.533 -0.663 2.729 1.00 64.22 H new ATOM 0 HG21 THR A 160 16.864 0.140 3.230 1.00 74.44 H new ATOM 0 HG22 THR A 160 16.614 1.443 4.417 1.00 74.44 H new ATOM 0 HG23 THR A 160 16.412 -0.256 4.905 1.00 74.44 H new ATOM 2604 N THR A 161 13.990 3.405 4.643 1.00 72.24 N ATOM 2605 CA THR A 161 14.375 4.789 4.975 1.00 40.10 C ATOM 2606 C THR A 161 13.933 5.179 6.397 1.00 61.32 C ATOM 2607 O THR A 161 14.726 5.702 7.183 1.00 32.30 O ATOM 2608 CB THR A 161 13.791 5.812 3.960 1.00 3.53 C ATOM 2609 OG1 THR A 161 14.297 5.549 2.640 1.00 65.45 O ATOM 2610 CG2 THR A 161 14.137 7.249 4.355 1.00 61.11 C ATOM 0 H THR A 161 13.394 3.322 3.820 1.00 72.24 H new ATOM 0 HA THR A 161 15.463 4.821 4.921 1.00 40.10 H new ATOM 0 HB THR A 161 12.707 5.700 3.968 1.00 3.53 H new ATOM 0 HG1 THR A 161 13.762 4.844 2.219 1.00 65.45 H new ATOM 0 HG21 THR A 161 13.714 7.939 3.625 1.00 61.11 H new ATOM 0 HG22 THR A 161 13.724 7.465 5.340 1.00 61.11 H new ATOM 0 HG23 THR A 161 15.220 7.368 4.382 1.00 61.11 H new ATOM 2618 N ILE A 162 12.674 4.913 6.727 1.00 64.33 N ATOM 2619 CA ILE A 162 12.139 5.214 8.060 1.00 12.13 C ATOM 2620 C ILE A 162 12.842 4.387 9.149 1.00 24.34 C ATOM 2621 O ILE A 162 13.302 4.933 10.149 1.00 31.14 O ATOM 2622 CB ILE A 162 10.609 4.962 8.122 1.00 33.13 C ATOM 2623 CG1 ILE A 162 9.875 5.897 7.144 1.00 14.31 C ATOM 2624 CG2 ILE A 162 10.080 5.142 9.548 1.00 35.14 C ATOM 2625 CD1 ILE A 162 8.377 5.677 7.086 1.00 45.13 C ATOM 0 H ILE A 162 11.999 4.488 6.091 1.00 64.33 H new ATOM 0 HA ILE A 162 12.331 6.271 8.247 1.00 12.13 H new ATOM 0 HB ILE A 162 10.419 3.931 7.825 1.00 33.13 H new ATOM 0 HG12 ILE A 162 10.069 6.930 7.431 1.00 14.31 H new ATOM 0 HG13 ILE A 162 10.291 5.760 6.146 1.00 14.31 H new ATOM 0 HG21 ILE A 162 9.005 4.960 9.563 1.00 35.14 H new ATOM 0 HG22 ILE A 162 10.577 4.435 10.212 1.00 35.14 H new ATOM 0 HG23 ILE A 162 10.280 6.159 9.885 1.00 35.14 H new ATOM 0 HD11 ILE A 162 7.934 6.374 6.375 1.00 45.13 H new ATOM 0 HD12 ILE A 162 8.171 4.655 6.768 1.00 45.13 H new ATOM 0 HD13 ILE A 162 7.946 5.843 8.073 1.00 45.13 H new ATOM 2637 N ASN A 163 12.938 3.073 8.936 1.00 41.41 N ATOM 2638 CA ASN A 163 13.575 2.169 9.907 1.00 1.24 C ATOM 2639 C ASN A 163 15.016 2.592 10.252 1.00 42.22 C ATOM 2640 O ASN A 163 15.422 2.535 11.412 1.00 21.53 O ATOM 2641 CB ASN A 163 13.560 0.728 9.379 1.00 14.42 C ATOM 2642 CG ASN A 163 12.172 0.112 9.411 1.00 31.41 C ATOM 2643 OD1 ASN A 163 11.356 0.434 10.263 1.00 22.14 O ATOM 2644 ND2 ASN A 163 11.889 -0.779 8.482 1.00 34.43 N ATOM 0 H ASN A 163 12.584 2.607 8.101 1.00 41.41 H new ATOM 0 HA ASN A 163 12.994 2.228 10.827 1.00 1.24 H new ATOM 0 HB2 ASN A 163 13.936 0.715 8.356 1.00 14.42 H new ATOM 0 HB3 ASN A 163 14.238 0.119 9.976 1.00 14.42 H new ATOM 0 HD21 ASN A 163 10.969 -1.219 8.461 1.00 34.43 H new ATOM 0 HD22 ASN A 163 12.590 -1.028 7.784 1.00 34.43 H new ATOM 2651 N THR A 164 15.792 3.011 9.250 1.00 32.01 N ATOM 2652 CA THR A 164 17.187 3.427 9.491 1.00 42.34 C ATOM 2653 C THR A 164 17.276 4.852 10.062 1.00 11.31 C ATOM 2654 O THR A 164 18.242 5.199 10.739 1.00 53.31 O ATOM 2655 CB THR A 164 18.060 3.334 8.212 1.00 3.23 C ATOM 2656 OG1 THR A 164 19.435 3.631 8.526 1.00 53.30 O ATOM 2657 CG2 THR A 164 17.574 4.289 7.128 1.00 53.31 C ATOM 0 H THR A 164 15.491 3.073 8.278 1.00 32.01 H new ATOM 0 HA THR A 164 17.576 2.726 10.230 1.00 42.34 H new ATOM 0 HB THR A 164 17.977 2.315 7.834 1.00 3.23 H new ATOM 0 HG1 THR A 164 19.977 3.568 7.712 1.00 53.30 H new ATOM 0 HG21 THR A 164 18.210 4.195 6.248 1.00 53.31 H new ATOM 0 HG22 THR A 164 16.546 4.043 6.861 1.00 53.31 H new ATOM 0 HG23 THR A 164 17.617 5.313 7.499 1.00 53.31 H new ATOM 2665 N ASN A 165 16.264 5.678 9.785 1.00 43.32 N ATOM 2666 CA ASN A 165 16.203 7.044 10.329 1.00 33.24 C ATOM 2667 C ASN A 165 15.245 7.130 11.530 1.00 41.24 C ATOM 2668 O ASN A 165 14.919 8.222 11.997 1.00 12.22 O ATOM 2669 CB ASN A 165 15.774 8.041 9.240 1.00 23.34 C ATOM 2670 CG ASN A 165 16.871 8.291 8.218 1.00 1.33 C ATOM 2671 OD1 ASN A 165 17.707 9.170 8.395 1.00 22.22 O ATOM 2672 ND2 ASN A 165 16.877 7.532 7.144 1.00 12.03 N ATOM 0 H ASN A 165 15.475 5.429 9.189 1.00 43.32 H new ATOM 0 HA ASN A 165 17.203 7.304 10.675 1.00 33.24 H new ATOM 0 HB2 ASN A 165 14.888 7.661 8.732 1.00 23.34 H new ATOM 0 HB3 ASN A 165 15.493 8.986 9.706 1.00 23.34 H new ATOM 0 HD21 ASN A 165 17.591 7.666 6.429 1.00 12.03 H new ATOM 0 HD22 ASN A 165 16.167 6.809 7.026 1.00 12.03 H new ATOM 2679 N ALA A 166 14.821 5.974 12.042 1.00 31.31 N ATOM 2680 CA ALA A 166 13.870 5.909 13.165 1.00 65.31 C ATOM 2681 C ALA A 166 14.373 6.686 14.390 1.00 10.33 C ATOM 2682 O ALA A 166 13.598 7.346 15.077 1.00 54.24 O ATOM 2683 CB ALA A 166 13.594 4.456 13.534 1.00 71.12 C ATOM 0 H ALA A 166 15.120 5.062 11.698 1.00 31.31 H new ATOM 0 HA ALA A 166 12.943 6.381 12.840 1.00 65.31 H new ATOM 0 HB1 ALA A 166 12.890 4.419 14.365 1.00 71.12 H new ATOM 0 HB2 ALA A 166 13.169 3.937 12.675 1.00 71.12 H new ATOM 0 HB3 ALA A 166 14.526 3.971 13.826 1.00 71.12 H new ATOM 2689 N GLU A 167 15.675 6.600 14.648 1.00 73.24 N ATOM 2690 CA GLU A 167 16.310 7.321 15.763 1.00 23.20 C ATOM 2691 C GLU A 167 16.171 8.850 15.610 1.00 20.33 C ATOM 2692 O GLU A 167 16.191 9.591 16.595 1.00 10.44 O ATOM 2693 CB GLU A 167 17.793 6.927 15.851 1.00 22.40 C ATOM 2694 CG GLU A 167 18.555 7.120 14.543 1.00 42.11 C ATOM 2695 CD GLU A 167 20.005 6.669 14.627 1.00 45.53 C ATOM 2696 OE1 GLU A 167 20.860 7.472 15.046 1.00 51.32 O ATOM 2697 OE2 GLU A 167 20.294 5.506 14.277 1.00 45.33 O ATOM 0 H GLU A 167 16.322 6.034 14.098 1.00 73.24 H new ATOM 0 HA GLU A 167 15.799 7.039 16.684 1.00 23.20 H new ATOM 0 HB2 GLU A 167 18.272 7.519 16.631 1.00 22.40 H new ATOM 0 HB3 GLU A 167 17.865 5.882 16.153 1.00 22.40 H new ATOM 0 HG2 GLU A 167 18.053 6.564 13.751 1.00 42.11 H new ATOM 0 HG3 GLU A 167 18.524 8.173 14.263 1.00 42.11 H new ATOM 2704 N ALA A 168 16.037 9.315 14.370 1.00 33.43 N ATOM 2705 CA ALA A 168 15.842 10.743 14.093 1.00 31.31 C ATOM 2706 C ALA A 168 14.352 11.112 14.120 1.00 13.54 C ATOM 2707 O ALA A 168 13.944 12.069 14.781 1.00 41.34 O ATOM 2708 CB ALA A 168 16.459 11.106 12.745 1.00 15.13 C ATOM 0 H ALA A 168 16.059 8.726 13.538 1.00 33.43 H new ATOM 0 HA ALA A 168 16.343 11.314 14.875 1.00 31.31 H new ATOM 0 HB1 ALA A 168 16.308 12.168 12.550 1.00 15.13 H new ATOM 0 HB2 ALA A 168 17.527 10.888 12.763 1.00 15.13 H new ATOM 0 HB3 ALA A 168 15.983 10.521 11.958 1.00 15.13 H new ATOM 2714 N LEU A 169 13.547 10.328 13.409 1.00 33.51 N ATOM 2715 CA LEU A 169 12.103 10.565 13.309 1.00 43.53 C ATOM 2716 C LEU A 169 11.409 10.442 14.676 1.00 74.33 C ATOM 2717 O LEU A 169 10.553 11.256 15.030 1.00 1.31 O ATOM 2718 CB LEU A 169 11.482 9.561 12.326 1.00 74.53 C ATOM 2719 CG LEU A 169 12.068 9.584 10.903 1.00 60.13 C ATOM 2720 CD1 LEU A 169 11.428 8.505 10.033 1.00 42.11 C ATOM 2721 CD2 LEU A 169 11.893 10.962 10.272 1.00 54.34 C ATOM 0 H LEU A 169 13.871 9.514 12.887 1.00 33.51 H new ATOM 0 HA LEU A 169 11.956 11.583 12.948 1.00 43.53 H new ATOM 0 HB2 LEU A 169 11.601 8.557 12.734 1.00 74.53 H new ATOM 0 HB3 LEU A 169 10.411 9.754 12.263 1.00 74.53 H new ATOM 0 HG LEU A 169 13.135 9.372 10.972 1.00 60.13 H new ATOM 0 HD11 LEU A 169 11.859 8.542 9.032 1.00 42.11 H new ATOM 0 HD12 LEU A 169 11.614 7.525 10.473 1.00 42.11 H new ATOM 0 HD13 LEU A 169 10.353 8.677 9.972 1.00 42.11 H new ATOM 0 HD21 LEU A 169 12.314 10.958 9.266 1.00 54.34 H new ATOM 0 HD22 LEU A 169 10.832 11.207 10.221 1.00 54.34 H new ATOM 0 HD23 LEU A 169 12.408 11.708 10.878 1.00 54.34 H new ATOM 2733 N PHE A 170 11.786 9.423 15.439 1.00 54.21 N ATOM 2734 CA PHE A 170 11.168 9.157 16.742 1.00 72.21 C ATOM 2735 C PHE A 170 12.201 9.276 17.872 1.00 52.53 C ATOM 2736 O PHE A 170 13.084 8.434 18.014 1.00 10.13 O ATOM 2737 CB PHE A 170 10.537 7.758 16.744 1.00 13.11 C ATOM 2738 CG PHE A 170 9.665 7.496 15.540 1.00 21.43 C ATOM 2739 CD1 PHE A 170 8.403 8.064 15.443 1.00 43.23 C ATOM 2740 CD2 PHE A 170 10.117 6.697 14.499 1.00 2.14 C ATOM 2741 CE1 PHE A 170 7.611 7.837 14.335 1.00 51.12 C ATOM 2742 CE2 PHE A 170 9.327 6.470 13.388 1.00 30.55 C ATOM 2743 CZ PHE A 170 8.074 7.039 13.306 1.00 60.30 C ATOM 0 H PHE A 170 12.519 8.762 15.181 1.00 54.21 H new ATOM 0 HA PHE A 170 10.390 9.901 16.914 1.00 72.21 H new ATOM 0 HB2 PHE A 170 11.329 7.010 16.781 1.00 13.11 H new ATOM 0 HB3 PHE A 170 9.942 7.637 17.649 1.00 13.11 H new ATOM 0 HD1 PHE A 170 8.036 8.690 16.243 1.00 43.23 H new ATOM 0 HD2 PHE A 170 11.097 6.248 14.558 1.00 2.14 H new ATOM 0 HE1 PHE A 170 6.629 8.283 14.272 1.00 51.12 H new ATOM 0 HE2 PHE A 170 9.691 5.847 12.584 1.00 30.55 H new ATOM 0 HZ PHE A 170 7.455 6.861 12.439 1.00 60.30 H new ATOM 2753 N ARG A 171 12.088 10.333 18.667 1.00 34.14 N ATOM 2754 CA ARG A 171 13.011 10.576 19.780 1.00 71.22 C ATOM 2755 C ARG A 171 12.294 10.347 21.126 1.00 20.41 C ATOM 2756 O ARG A 171 11.276 10.988 21.401 1.00 73.12 O ATOM 2757 CB ARG A 171 13.549 12.014 19.685 1.00 65.04 C ATOM 2758 CG ARG A 171 14.775 12.298 20.551 1.00 15.43 C ATOM 2759 CD ARG A 171 15.973 11.433 20.151 1.00 22.40 C ATOM 2760 NE ARG A 171 16.232 11.465 18.711 1.00 22.33 N ATOM 2761 CZ ARG A 171 16.870 12.421 18.085 1.00 54.23 C ATOM 2762 NH1 ARG A 171 17.321 13.455 18.718 1.00 70.24 N ATOM 2763 NH2 ARG A 171 17.061 12.325 16.810 1.00 41.31 N ATOM 0 H ARG A 171 11.363 11.043 18.564 1.00 34.14 H new ATOM 0 HA ARG A 171 13.847 9.879 19.722 1.00 71.22 H new ATOM 0 HB2 ARG A 171 13.799 12.225 18.645 1.00 65.04 H new ATOM 0 HB3 ARG A 171 12.754 12.704 19.968 1.00 65.04 H new ATOM 0 HG2 ARG A 171 15.043 13.351 20.465 1.00 15.43 H new ATOM 0 HG3 ARG A 171 14.530 12.116 21.597 1.00 15.43 H new ATOM 0 HD2 ARG A 171 16.859 11.777 20.684 1.00 22.40 H new ATOM 0 HD3 ARG A 171 15.794 10.404 20.462 1.00 22.40 H new ATOM 0 HE ARG A 171 15.889 10.683 18.153 1.00 22.33 H new ATOM 0 HH11 ARG A 171 17.182 13.537 19.725 1.00 70.24 H new ATOM 0 HH12 ARG A 171 17.816 14.188 18.210 1.00 70.24 H new ATOM 0 HH21 ARG A 171 16.716 11.510 16.303 1.00 41.31 H new ATOM 0 HH22 ARG A 171 17.557 13.064 16.312 1.00 41.31 H new